Content-Type: multipart/mixed; boundary=Apple-Mail-7-1046759100 --Apple-Mail-7-1046759100 Content-Type: text/html; charset=US-ASCII Content-Transfer-Encoding: 7bit Hello --

This example ran on my computer with the attached output.  What version of APBS are you using?

Thanks,

Nathan

--Apple-Mail-7-1046759100 Content-Disposition: attachment; filename=1dlhAPO.out Content-Type: application/octet-stream; x-unix-mode=0644; name="1dlhAPO.out" Content-Transfer-Encoding: 7bit ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 1.0.0 Nathan A. Baker (baker@biochem.wustl.edu) Dept. Biochemistry and Molecular Biophysics Center for Computational Biology Washington University in St. Louis Additional contributing authors listed in the code documentation. Copyright (c) 2002-2008, Washington University in St. Louis. Portions Copyright (c) 2002-2008. Nathan A. Baker Portions Copyright (c) 1999-2002. The Regents of the University of California. Portions Copyright (c) 1995. Michael Holst All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of Washington University in St. Louis nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on May 15 2008 at 05:16:43 Parsing input file 1dlhAPO.in... Parsed input file. Reading parameter data from apbs/oplsP.prm. Got paths for 2 molecules Reading PQR-format atom data from apbs/1dlh.pqr. 1993 atoms Centered at (9.533e+00, 7.208e+01, 2.215e+01) Net charge -5.03e+00 e Reading PQR-format atom data from apbs/1dlh_pep.pqr. 140 atoms Centered at (2.114e+00, 8.022e+01, 2.011e+01) Net charge 3.11e+00 e Preparing to run 4 PBE calculations. ---------------------------------------- CALCULATION #1 (complexg): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 1.844024434947E+01 SASA for atom 1: 4.954227599525E+00 SASA for atom 2: 1.588586497295E+00 SASA for atom 3: 2.957260512964E+00 SASA for atom 4: 5.523992160207E+00 SASA for atom 5: 1.372284330675E+00 SASA for atom 6: 1.119526229421E+01 SASA for atom 7: 6.753083416745E+00 SASA for atom 8: 1.867763456533E+01 SASA for atom 9: 6.265561351900E+00 SASA for atom 10: 2.199447796703E+01 SASA for atom 11: 1.267451617092E+01 SASA for atom 12: 0.000000000000E+00 SASA for atom 13: 0.000000000000E+00 SASA for atom 14: 0.000000000000E+00 SASA for atom 15: 0.000000000000E+00 SASA for atom 16: 0.000000000000E+00 SASA for atom 17: 4.370522817558E-01 SASA for atom 18: 1.530263351205E-01 SASA for atom 19: 3.952554499223E+00 SASA for atom 20: 3.254551252362E+00 SASA for atom 21: 7.429490884466E+00 SASA for atom 22: 7.452030669461E+00 SASA for atom 23: 3.398518197415E+01 SASA for atom 24: 0.000000000000E+00 SASA for atom 25: 1.008582188667E-01 SASA for atom 26: 1.587648226875E+00 SASA for atom 27: 3.214996482621E-01 SASA for atom 28: 6.383927456557E+00 SASA for atom 29: 5.223860778140E-01 SASA for atom 30: 7.404500129640E+00 SASA for atom 31: 9.648418656249E+00 SASA for atom 32: 1.365327140307E+01 SASA for atom 33: 0.000000000000E+00 SASA for atom 34: 9.749627823784E-01 SASA for atom 35: 0.000000000000E+00 SASA for atom 36: 2.950232066405E+00 SASA for atom 37: 8.918722181954E-01 SASA for atom 38: 3.095621201861E-01 SASA for atom 39: 3.780604563546E+00 SASA for atom 40: 1.590420229719E+01 SASA for atom 41: 3.668949402861E+01 SASA for atom 42: 0.000000000000E+00 SASA for atom 43: 1.832257642746E+00 SASA for atom 44: 1.549391643095E+00 SASA for atom 45: 1.569674753280E+00 SASA for atom 46: 1.439513053929E+00 SASA for atom 47: 5.876587404476E-01 SASA for atom 48: 7.933392996043E+00 SASA for atom 49: 5.295288324317E-01 SASA for atom 50: 0.000000000000E+00 SASA for atom 51: 6.723881257782E-02 SASA for atom 52: 0.000000000000E+00 SASA for atom 53: 0.000000000000E+00 SASA for atom 54: 0.000000000000E+00 SASA for atom 55: 2.000354674190E+00 SASA for atom 56: 2.257138443027E+00 SASA for atom 57: 4.935965188024E+00 SASA for atom 58: 6.305693051452E+00 SASA for atom 59: 2.845499079313E+01 SASA for atom 60: 0.000000000000E+00 SASA for atom 61: 5.429534115659E+00 SASA for atom 62: 2.620575988938E+00 SASA for atom 63: 3.196084738606E+00 SASA for atom 64: 3.786545207075E+00 SASA for atom 65: 1.508324100482E+00 SASA for atom 66: 4.152788432496E+00 SASA for atom 67: 1.323822081079E+00 SASA for atom 68: 0.000000000000E+00 SASA for atom 69: 6.947215173312E+00 SASA for atom 70: 0.000000000000E+00 SASA for atom 71: 1.512873283001E+00 SASA for atom 72: 1.759802853885E+00 SASA for atom 73: 9.455872007710E-01 SASA for atom 74: 4.850533116501E+00 SASA for atom 75: 3.545541067367E+00 SASA for atom 76: 1.661186295028E+00 SASA for atom 77: 2.870963270755E+00 SASA for atom 78: 9.107725734186E-01 SASA for atom 79: 4.839107902908E+00 SASA for atom 80: 1.727749165396E+01 SASA for atom 81: 3.322372590056E+00 SASA for atom 82: 1.079333467604E+01 SASA for atom 83: 4.171022110343E+00 SASA for atom 84: 1.385189928826E+01 SASA for atom 85: 3.972402009850E+00 SASA for atom 86: 1.790279819690E+01 SASA for atom 87: 0.000000000000E+00 SASA for atom 88: 1.008582188667E+00 SASA for atom 89: 7.651316756023E-02 SASA for atom 90: 0.000000000000E+00 SASA for atom 91: 4.850533116501E-01 SASA for atom 92: 5.132219666576E+00 SASA for atom 93: 1.444509821764E-01 SASA for atom 94: 1.679242667800E+00 SASA for atom 95: 3.507154088686E+00 SASA for atom 96: 1.083382366323E-01 SASA for atom 97: 1.753577044343E+00 SASA for atom 98: 2.636230424719E+00 SASA for atom 99: 1.438205048771E+01 SASA for atom 100: 5.055784376173E-01 SASA for atom 101: 0.000000000000E+00 SASA for atom 102: 3.737669163813E+00 SASA for atom 103: 2.283841251255E+00 SASA for atom 104: 0.000000000000E+00 SASA for atom 105: 0.000000000000E+00 SASA for atom 106: 1.344776251556E-01 SASA for atom 107: 0.000000000000E+00 SASA for atom 108: 0.000000000000E+00 SASA for atom 109: 6.102283598179E-01 SASA for atom 110: 3.251711697143E+00 SASA for atom 111: 1.528462968419E+00 SASA for atom 112: 1.104077175502E+01 SASA for atom 113: 4.265307027915E+01 SASA for atom 114: 0.000000000000E+00 SASA for atom 115: 7.396269383560E-01 SASA for atom 116: 1.912829189006E-02 SASA for atom 117: 1.040145920848E+00 SASA for atom 118: 1.095281671468E-01 SASA for atom 119: 1.825659820324E+01 SASA for atom 120: 3.290643458683E+00 SASA for atom 121: 6.743805720039E+00 SASA for atom 122: 8.690616525683E+00 SASA for atom 123: 0.000000000000E+00 SASA for atom 124: 0.000000000000E+00 SASA for atom 125: 0.000000000000E+00 SASA for atom 126: 3.530037660335E-01 SASA for atom 127: 9.028553772107E+00 SASA for atom 128: 3.158261250575E+00 SASA for atom 129: 1.907354796456E+01 SASA for atom 130: 2.397647661026E+01 SASA for atom 131: 2.965717776792E+01 SASA for atom 132: 2.257138443027E+00 SASA for atom 133: 1.680970314445E-02 SASA for atom 134: 5.987155361588E+00 SASA for atom 135: 1.002322432817E+00 SASA for atom 136: 2.020012339807E+01 SASA for atom 137: 1.426051876820E+01 SASA for atom 138: 4.009289731269E+00 SASA for atom 139: 8.762253371744E-01 SASA for atom 140: 1.509924018524E+01 SASA for atom 141: 0.000000000000E+00 SASA for atom 142: 3.530037660335E-01 SASA for atom 143: 3.825658378011E-02 SASA for atom 144: 1.645321729341E+00 SASA for atom 145: 1.631969690487E+01 SASA for atom 146: 7.463266003685E+00 SASA for atom 147: 5.308517288710E+00 SASA for atom 148: 7.243197957906E+00 SASA for atom 149: 2.617723194809E+01 SASA for atom 150: 2.963550664367E+01 SASA for atom 151: 0.000000000000E+00 SASA for atom 152: 0.000000000000E+00 SASA for atom 153: 0.000000000000E+00 SASA for atom 154: 4.370522817558E-01 SASA for atom 155: 5.241151977876E+00 SASA for atom 156: 8.132049926630E-01 SASA for atom 157: 1.392572410867E+00 SASA for atom 158: 2.701271343591E+01 SASA for atom 159: 1.429813290398E+01 SASA for atom 160: 0.000000000000E+00 SASA for atom 161: 0.000000000000E+00 SASA for atom 162: 4.790765396170E+00 SASA for atom 163: 5.030740767085E+00 SASA for atom 164: 6.732580869489E+00 SASA for atom 165: 1.661698764427E+01 SASA for atom 166: 0.000000000000E+00 SASA for atom 167: 6.051493132004E-01 SASA for atom 168: 6.828800204750E+00 SASA for atom 169: 3.820172291115E+00 SASA for atom 170: 4.271598518725E+00 SASA for atom 171: 6.483834769605E+00 SASA for atom 172: 1.804112333174E+01 SASA for atom 173: 5.389847044394E+00 SASA for atom 174: 2.943178320045E+01 SASA for atom 175: 1.998106706378E+01 SASA for atom 176: 0.000000000000E+00 SASA for atom 177: 2.958507753424E+00 SASA for atom 178: 1.147697513403E+00 SASA for atom 179: 1.702056961388E-01 SASA for atom 180: 3.536195110740E+00 SASA for atom 181: 3.016648200964E+00 SASA for atom 182: 7.403112836539E-01 SASA for atom 183: 1.552848058396E+00 SASA for atom 184: 2.338102725791E+00 SASA for atom 185: 2.166764732645E+00 SASA for atom 186: 6.389001634429E-01 SASA for atom 187: 2.112595614329E+00 SASA for atom 188: 1.495298254866E-01 SASA for atom 189: 2.419553951454E+00 SASA for atom 190: 1.440923772871E+00 SASA for atom 191: 5.236348103893E-01 SASA for atom 192: 0.000000000000E+00 SASA for atom 193: 0.000000000000E+00 SASA for atom 194: 1.815447939601E+00 SASA for atom 195: 1.262467264744E+00 SASA for atom 196: 1.588586497295E+00 SASA for atom 197: 4.756651830375E+00 SASA for atom 198: 6.660132391740E+00 SASA for atom 199: 6.350592907499E+00 SASA for atom 200: 5.814152032599E+00 SASA for atom 201: 3.066265189976E+01 SASA for atom 202: 0.000000000000E+00 SASA for atom 203: 5.379105006226E-01 SASA for atom 204: 9.181580107227E-01 SASA for atom 205: 7.564697606168E-02 SASA for atom 206: 9.544597422793E-01 SASA for atom 207: 2.742407455422E+00 SASA for atom 208: 1.083382366323E-01 SASA for atom 209: 3.791838282130E-01 SASA for atom 210: 1.726389803346E+00 SASA for atom 211: 1.877862768293E+00 SASA for atom 212: 2.270134623297E+00 SASA for atom 213: 4.333529465291E-01 SASA for atom 214: 5.437448199514E-02 SASA for atom 215: 1.877862768293E+00 SASA for atom 216: 3.221688058212E+00 SASA for atom 217: 3.448767199461E+00 SASA for atom 218: 6.796810249392E-02 SASA for atom 219: 0.000000000000E+00 SASA for atom 220: 1.462444173568E+00 SASA for atom 221: 1.434621891754E+00 SASA for atom 222: 9.455872007710E-02 SASA for atom 223: 8.918722181954E-01 SASA for atom 224: 8.070513368814E+00 SASA for atom 225: 2.893496834359E+00 SASA for atom 226: 1.214197967227E+01 SASA for atom 227: 2.095117368708E+01 SASA for atom 228: 0.000000000000E+00 SASA for atom 229: 0.000000000000E+00 SASA for atom 230: 2.104112107906E-01 SASA for atom 231: 0.000000000000E+00 SASA for atom 232: 2.910319869901E+00 SASA for atom 233: 4.720858548262E+00 SASA for atom 234: 0.000000000000E+00 SASA for atom 235: 3.791838282130E+00 SASA for atom 236: 3.561528570682E+00 SASA for atom 237: 6.139166742496E-01 SASA for atom 238: 1.235660103340E+01 SASA for atom 239: 1.913975513837E+00 SASA for atom 240: 4.948077861558E+00 SASA for atom 241: 3.069583371248E-01 SASA for atom 242: 1.393346101125E+01 SASA for atom 243: 0.000000000000E+00 SASA for atom 244: 4.349958559611E-01 SASA for atom 245: 0.000000000000E+00 SASA for atom 246: 7.060075320671E-01 SASA for atom 247: 5.241151977876E+00 SASA for atom 248: 5.805905412734E+00 SASA for atom 249: 3.185704975870E+01 SASA for atom 250: 1.561213387122E+01 SASA for atom 251: 9.512607239756E+00 SASA for atom 252: 2.253150867020E+00 SASA for atom 253: 5.194764498963E+00 SASA for atom 254: 0.000000000000E+00 SASA for atom 255: 1.075821001245E+00 SASA for atom 256: 2.130891716552E+01 SASA for atom 257: 3.649966594976E+00 SASA for atom 258: 2.958825201066E+01 SASA for atom 259: 0.000000000000E+00 SASA for atom 260: 1.680970314445E-02 SASA for atom 261: 6.082796821038E+00 SASA for atom 262: 1.021234176833E+00 SASA for atom 263: 2.393972796209E+00 SASA for atom 264: 1.565131112059E+01 SASA for atom 265: 8.340079110800E+00 SASA for atom 266: 2.954131136760E+01 SASA for atom 267: 3.342173786080E+01 SASA for atom 268: 0.000000000000E+00 SASA for atom 269: 1.085906823132E+01 SASA for atom 270: 1.415493599864E+00 SASA for atom 271: 8.510284806939E-01 SASA for atom 272: 1.021741330669E+01 SASA for atom 273: 1.057785732806E+01 SASA for atom 274: 1.288931504048E+01 SASA for atom 275: 1.966821377604E+00 SASA for atom 276: 2.229680545489E+01 SASA for atom 277: 4.881826878543E+00 SASA for atom 278: 0.000000000000E+00 SASA for atom 279: 1.680970314445E-02 SASA for atom 280: 1.032927762063E+00 SASA for atom 281: 1.891174401542E-02 SASA for atom 282: 0.000000000000E+00 SASA for atom 283: 1.315639010791E+00 SASA for atom 284: 5.053865167849E+00 SASA for atom 285: 8.491392841781E+00 SASA for atom 286: 1.192947243109E+01 SASA for atom 287: 0.000000000000E+00 SASA for atom 288: 2.857649534557E-01 SASA for atom 289: 0.000000000000E+00 SASA for atom 290: 0.000000000000E+00 SASA for atom 291: 2.300091510083E+00 SASA for atom 292: 2.664052956696E+00 SASA for atom 293: 1.029213248007E+00 SASA for atom 294: 9.389313841464E-01 SASA for atom 295: 6.524937839417E-01 SASA for atom 296: 1.769524531660E+00 SASA for atom 297: 4.485894764599E-01 SASA for atom 298: 1.787580904433E+00 SASA for atom 299: 1.712796182847E+00 SASA for atom 300: 2.690399543035E+00 SASA for atom 301: 3.683871155171E+00 SASA for atom 302: 3.430710826689E-01 SASA for atom 303: 7.340555069344E-01 SASA for atom 304: 0.000000000000E+00 SASA for atom 305: 2.185261408779E-01 SASA for atom 306: 1.472878475534E+00 SASA for atom 307: 1.966821377604E+00 SASA for atom 308: 1.220456719636E+00 SASA for atom 309: 4.936333419760E+00 SASA for atom 310: 3.864063773218E+00 SASA for atom 311: 1.013625099611E+01 SASA for atom 312: 7.673958428119E+00 SASA for atom 313: 8.876634185706E+00 SASA for atom 314: 1.012962512512E+01 SASA for atom 315: 1.568703805560E+01 SASA for atom 316: 1.190126982627E+01 SASA for atom 317: 0.000000000000E+00 SASA for atom 318: 0.000000000000E+00 SASA for atom 319: 0.000000000000E+00 SASA for atom 320: 4.874813911892E-01 SASA for atom 321: 4.016941296912E-01 SASA for atom 322: 1.512939521234E-01 SASA for atom 323: 9.513303660751E+00 SASA for atom 324: 3.269749894465E+00 SASA for atom 325: 5.745907858295E+00 SASA for atom 326: 6.275394247967E-01 SASA for atom 327: 0.000000000000E+00 SASA for atom 328: 3.294701816313E+00 SASA for atom 329: 5.528076356227E+00 SASA for atom 330: 1.059057664863E+00 SASA for atom 331: 4.725358068334E+00 SASA for atom 332: 1.480900025928E+01 SASA for atom 333: 5.730258436672E+00 SASA for atom 334: 2.190563342936E+00 SASA for atom 335: 1.724286288511E+01 SASA for atom 336: 0.000000000000E+00 SASA for atom 337: 1.680970314445E+00 SASA for atom 338: 3.825658378011E+00 SASA for atom 339: 3.063702530498E+00 SASA for atom 340: 1.705510031286E+01 SASA for atom 341: 1.968656780499E+01 SASA for atom 342: 1.451837354455E+01 SASA for atom 343: 6.319730470216E+00 SASA for atom 344: 1.306462336091E+01 SASA for atom 345: 0.000000000000E+00 SASA for atom 346: 1.949925564757E+00 SASA for atom 347: 6.905313372311E+00 SASA for atom 348: 3.687790083007E+00 SASA for atom 349: 1.170386700369E+01 SASA for atom 350: 4.010369136591E+01 SASA for atom 351: 0.000000000000E+00 SASA for atom 352: 5.042910943336E-02 SASA for atom 353: 4.476020302273E+00 SASA for atom 354: 2.099203585712E+00 SASA for atom 355: 1.890143227333E+01 SASA for atom 356: 9.853078214838E+00 SASA for atom 357: 2.440742635326E+01 SASA for atom 358: 5.739467031705E+00 SASA for atom 359: 3.059743175264E+01 SASA for atom 360: 2.077679308655E+01 SASA for atom 361: 0.000000000000E+00 SASA for atom 362: 0.000000000000E+00 SASA for atom 363: 0.000000000000E+00 SASA for atom 364: 0.000000000000E+00 SASA for atom 365: 1.697780017590E+00 SASA for atom 366: 2.448421361927E+00 SASA for atom 367: 6.278699013119E+00 SASA for atom 368: 1.581899671220E+01 SASA for atom 369: 1.823700957856E+01 SASA for atom 370: 3.251711697143E+00 SASA for atom 371: 2.644464332014E+01 SASA for atom 372: 2.693435893718E+01 SASA for atom 373: 1.267451617092E+01 SASA for atom 374: 0.000000000000E+00 SASA for atom 375: 0.000000000000E+00 SASA for atom 376: 0.000000000000E+00 SASA for atom 377: 0.000000000000E+00 SASA for atom 378: 3.698134691780E+00 SASA for atom 379: 8.722501101866E+00 SASA for atom 380: 1.664233473357E+00 SASA for atom 381: 3.129376204194E-02 SASA for atom 382: 1.085209807360E+01 SASA for atom 383: 1.449558226437E+01 SASA for atom 384: 1.017451828030E+01 SASA for atom 385: 3.429796319797E+01 SASA for atom 386: 1.059293845120E+01 SASA for atom 387: 0.000000000000E+00 SASA for atom 388: 4.488190739569E+00 SASA for atom 389: 7.651316756023E-02 SASA for atom 390: 1.626409985326E+00 SASA for atom 391: 1.545911844872E+01 SASA for atom 392: 6.965147704187E-01 SASA for atom 393: 1.006820157243E+01 SASA for atom 394: 8.609056483930E+00 SASA for atom 395: 0.000000000000E+00 SASA for atom 396: 0.000000000000E+00 SASA for atom 397: 2.067593486768E+00 SASA for atom 398: 4.954227599525E+00 SASA for atom 399: 1.550763009264E+00 SASA for atom 400: 3.864779612180E+00 SASA for atom 401: 1.838025088605E+00 SASA for atom 402: 3.778963973698E+01 SASA for atom 403: 1.713967053976E+01 SASA for atom 404: 0.000000000000E+00 SASA for atom 405: 2.319739033935E+00 SASA for atom 406: 1.912829189006E-02 SASA for atom 407: 1.437292545172E+00 SASA for atom 408: 1.473936192176E+01 SASA for atom 409: 5.974530527884E+00 SASA for atom 410: 1.083382366323E-01 SASA for atom 411: 2.058426496013E+00 SASA for atom 412: 1.904466231880E+01 SASA for atom 413: 9.750441296905E-01 SASA for atom 414: 1.015306069925E+01 SASA for atom 415: 1.029213248007E+00 SASA for atom 416: 1.805637277205E-02 SASA for atom 417: 1.359362049878E-02 SASA for atom 418: 1.625073549484E+00 SASA for atom 419: 2.623568756265E+00 SASA for atom 420: 3.791838282130E-01 SASA for atom 421: 6.796810249392E-01 SASA for atom 422: 5.597475559334E-01 SASA for atom 423: 1.169051362895E+00 SASA for atom 424: 0.000000000000E+00 SASA for atom 425: 0.000000000000E+00 SASA for atom 426: 4.706716880447E-01 SASA for atom 427: 4.820329556294E+00 SASA for atom 428: 2.269409281850E-01 SASA for atom 429: 2.245327426509E+01 SASA for atom 430: 1.136140231532E+00 SASA for atom 431: 1.431928464224E+01 SASA for atom 432: 6.523012018968E+00 SASA for atom 433: 1.032115773070E+01 SASA for atom 434: 4.152649332963E-01 SASA for atom 435: 2.988765219084E+01 SASA for atom 436: 3.545166393166E+01 SASA for atom 437: 0.000000000000E+00 SASA for atom 438: 0.000000000000E+00 SASA for atom 439: 0.000000000000E+00 SASA for atom 440: 0.000000000000E+00 SASA for atom 441: 0.000000000000E+00 SASA for atom 442: 0.000000000000E+00 SASA for atom 443: 8.404851572227E-02 SASA for atom 444: 2.888372075399E+00 SASA for atom 445: 2.458526722005E-01 SASA for atom 446: 7.979909320696E-01 SASA for atom 447: 2.879527828193E+00 SASA for atom 448: 3.714745442233E+00 SASA for atom 449: 1.708083871869E+01 SASA for atom 450: 4.308450363370E+01 SASA for atom 451: 0.000000000000E+00 SASA for atom 452: 3.849422020080E+00 SASA for atom 453: 6.216694864269E+00 SASA for atom 454: 3.139349506560E+00 SASA for atom 455: 1.614758121364E+01 SASA for atom 456: 2.570027558224E+01 SASA for atom 457: 1.627814711040E+01 SASA for atom 458: 8.964166663309E+00 SASA for atom 459: 3.018283348946E+01 SASA for atom 460: 3.321832840752E+01 SASA for atom 461: 0.000000000000E+00 SASA for atom 462: 6.387687194893E-01 SASA for atom 463: 5.738487567017E-01 SASA for atom 464: 4.349701123546E-01 SASA for atom 465: 9.857535043212E-01 SASA for atom 466: 8.697349358625E+00 SASA for atom 467: 2.609204807587E+01 SASA for atom 468: 5.465494020456E+00 SASA for atom 469: 1.597546552241E+01 SASA for atom 470: 2.375196538984E+01 SASA for atom 471: 0.000000000000E+00 SASA for atom 472: 6.891978289226E-01 SASA for atom 473: 3.462220832100E+00 SASA for atom 474: 9.455872007710E-02 SASA for atom 475: 2.221857104978E+00 SASA for atom 476: 4.897156170397E-01 SASA for atom 477: 0.000000000000E+00 SASA for atom 478: 2.311215714822E+00 SASA for atom 479: 6.253065429441E+00 SASA for atom 480: 1.986201004925E-01 SASA for atom 481: 1.223425844891E-01 SASA for atom 482: 1.083382366323E+00 SASA for atom 483: 6.402595254928E+00 SASA for atom 484: 3.051526998476E+00 SASA for atom 485: 4.159647872628E+00 SASA for atom 486: 2.870963270755E+00 SASA for atom 487: 1.825623232987E+01 SASA for atom 488: 0.000000000000E+00 SASA for atom 489: 1.647350908157E+00 SASA for atom 490: 1.333241944737E+01 SASA for atom 491: 4.652289027793E+00 SASA for atom 492: 1.758709426757E+01 SASA for atom 493: 0.000000000000E+00 SASA for atom 494: 2.168451705635E+00 SASA for atom 495: 7.746958215473E+00 SASA for atom 496: 4.066024963315E+00 SASA for atom 497: 1.871366970108E+01 SASA for atom 498: 8.834469731396E+00 SASA for atom 499: 2.581780733033E+01 SASA for atom 500: 2.791379017126E+01 SASA for atom 501: 9.278956135739E+00 SASA for atom 502: 2.465635541447E-01 SASA for atom 503: 1.600283739352E+01 SASA for atom 504: 2.595418165504E+01 SASA for atom 505: 0.000000000000E+00 SASA for atom 506: 0.000000000000E+00 SASA for atom 507: 0.000000000000E+00 SASA for atom 508: 0.000000000000E+00 SASA for atom 509: 0.000000000000E+00 SASA for atom 510: 0.000000000000E+00 SASA for atom 511: 6.219590163448E-01 SASA for atom 512: 5.508948064336E+00 SASA for atom 513: 3.763437059068E+00 SASA for atom 514: 1.675780957346E+01 SASA for atom 515: 9.911844088883E+00 SASA for atom 516: 1.318115212359E+00 SASA for atom 517: 2.582061306403E+00 SASA for atom 518: 1.155457742397E+00 SASA for atom 519: 4.315473092519E+00 SASA for atom 520: 1.517048047664E+01 SASA for atom 521: 7.294774599906E+00 SASA for atom 522: 2.623568756265E+00 SASA for atom 523: 7.692014800891E+00 SASA for atom 524: 2.043121160967E+01 SASA for atom 525: 9.010130013251E+00 SASA for atom 526: 2.086620746563E+01 SASA for atom 527: 0.000000000000E+00 SASA for atom 528: 6.555784226337E-01 SASA for atom 529: 2.008470648456E+00 SASA for atom 530: 1.872262657527E+00 SASA for atom 531: 5.930167906948E+00 SASA for atom 532: 3.235750159108E+00 SASA for atom 533: 0.000000000000E+00 SASA for atom 534: 1.176679220112E-01 SASA for atom 535: 2.008470648456E+00 SASA for atom 536: 2.250497537835E+00 SASA for atom 537: 2.174916461915E+00 SASA for atom 538: 2.783543567253E+01 SASA for atom 539: 8.218611826698E+00 SASA for atom 540: 0.000000000000E+00 SASA for atom 541: 0.000000000000E+00 SASA for atom 542: 1.496063579856E+00 SASA for atom 543: 3.462220832100E+00 SASA for atom 544: 1.985733121619E+00 SASA for atom 545: 1.744627233838E+01 SASA for atom 546: 5.994119152566E+00 SASA for atom 547: 3.611274554409E-02 SASA for atom 548: 1.173664230183E+00 SASA for atom 549: 6.117129224453E-01 SASA for atom 550: 0.000000000000E+00 SASA for atom 551: 0.000000000000E+00 SASA for atom 552: 3.195977980652E+00 SASA for atom 553: 4.010118047141E+00 SASA for atom 554: 1.805637277205E-02 SASA for atom 555: 5.437448199514E-02 SASA for atom 556: 2.744568661351E+00 SASA for atom 557: 1.318581188382E+00 SASA for atom 558: 0.000000000000E+00 SASA for atom 559: 1.865877049034E+00 SASA for atom 560: 4.189095923923E+00 SASA for atom 561: 1.059057664863E+00 SASA for atom 562: 6.352633694515E+00 SASA for atom 563: 2.246815250978E+01 SASA for atom 564: 2.088147391057E+01 SASA for atom 565: 9.550430727787E+00 SASA for atom 566: 3.051141799090E+01 SASA for atom 567: 1.186033581390E+01 SASA for atom 568: 0.000000000000E+00 SASA for atom 569: 5.211007974781E-01 SASA for atom 570: 0.000000000000E+00 SASA for atom 571: 1.966821377604E+00 SASA for atom 572: 1.955860127622E+00 SASA for atom 573: 1.264884153106E+01 SASA for atom 574: 0.000000000000E+00 SASA for atom 575: 2.840839831413E+00 SASA for atom 576: 8.033882593824E-01 SASA for atom 577: 2.439614977989E+00 SASA for atom 578: 7.025449578416E+00 SASA for atom 579: 1.962780193095E+01 SASA for atom 580: 2.760037217636E+01 SASA for atom 581: 8.453549574892E+00 SASA for atom 582: 1.412913356194E+01 SASA for atom 583: 3.240910766251E+01 SASA for atom 584: 0.000000000000E+00 SASA for atom 585: 0.000000000000E+00 SASA for atom 586: 0.000000000000E+00 SASA for atom 587: 2.773601018835E+00 SASA for atom 588: 1.616340664710E+01 SASA for atom 589: 6.997345285705E-01 SASA for atom 590: 3.583135753803E+00 SASA for atom 591: 0.000000000000E+00 SASA for atom 592: 2.521455471668E-01 SASA for atom 593: 1.434621891754E+00 SASA for atom 594: 4.160583683392E-01 SASA for atom 595: 8.605784561535E-01 SASA for atom 596: 3.667183513656E+00 SASA for atom 597: 0.000000000000E+00 SASA for atom 598: 2.857649534557E-01 SASA for atom 599: 1.224210680964E+00 SASA for atom 600: 1.853350913511E+00 SASA for atom 601: 1.311208629557E+01 SASA for atom 602: 1.273260604303E+01 SASA for atom 603: 2.418454063954E+00 SASA for atom 604: 2.043425251994E+01 SASA for atom 605: 1.878696152985E+01 SASA for atom 606: 0.000000000000E+00 SASA for atom 607: 3.361940628891E-01 SASA for atom 608: 7.823471383033E+00 SASA for atom 609: 2.193762305789E+00 SASA for atom 610: 1.411348668092E+01 SASA for atom 611: 3.667183513656E+01 SASA for atom 612: 0.000000000000E+00 SASA for atom 613: 1.496063579856E+00 SASA for atom 614: 4.514276886053E+00 SASA for atom 615: 2.118115329727E+00 SASA for atom 616: 7.979909320696E-01 SASA for atom 617: 1.018608483443E+00 SASA for atom 618: 1.607498241311E+00 SASA for atom 619: 5.398173952235E+00 SASA for atom 620: 1.680970314445E-02 SASA for atom 621: 0.000000000000E+00 SASA for atom 622: 0.000000000000E+00 SASA for atom 623: 0.000000000000E+00 SASA for atom 624: 1.680970314445E-01 SASA for atom 625: 1.071184345843E+00 SASA for atom 626: 1.569674753280E+00 SASA for atom 627: 7.901674915591E+00 SASA for atom 628: 2.786059081675E+00 SASA for atom 629: 6.366303021516E+00 SASA for atom 630: 2.610171795014E+01 SASA for atom 631: 4.231142931223E+00 SASA for atom 632: 0.000000000000E+00 SASA for atom 633: 3.361940628891E-01 SASA for atom 634: 4.858586140075E+00 SASA for atom 635: 5.106170884163E-01 SASA for atom 636: 1.885449163027E+01 SASA for atom 637: 3.527948203779E+01 SASA for atom 638: 0.000000000000E+00 SASA for atom 639: 3.361940628891E-02 SASA for atom 640: 1.970214064676E+00 SASA for atom 641: 1.115792896910E+00 SASA for atom 642: 1.251750481678E+00 SASA for atom 643: 1.431724805861E+00 SASA for atom 644: 6.883323065739E+00 SASA for atom 645: 3.063176817289E+01 SASA for atom 646: 0.000000000000E+00 SASA for atom 647: 9.413433760895E-01 SASA for atom 648: 7.651316756023E-01 SASA for atom 649: 1.550763009264E+00 SASA for atom 650: 1.017047266363E+00 SASA for atom 651: 2.193925964338E+00 SASA for atom 652: 4.633377283778E+00 SASA for atom 653: 9.106484754206E+00 SASA for atom 654: 2.143622699873E+00 SASA for atom 655: 0.000000000000E+00 SASA for atom 656: 8.068657509338E-01 SASA for atom 657: 2.065855524126E+00 SASA for atom 658: 1.512939521234E-01 SASA for atom 659: 1.486453696992E+00 SASA for atom 660: 8.070513368814E+00 SASA for atom 661: 5.210574165302E+00 SASA for atom 662: 1.982368817777E+01 SASA for atom 663: 3.085208387350E+01 SASA for atom 664: 8.707426228828E+00 SASA for atom 665: 0.000000000000E+00 SASA for atom 666: 0.000000000000E+00 SASA for atom 667: 0.000000000000E+00 SASA for atom 668: 0.000000000000E+00 SASA for atom 669: 1.059011298101E+00 SASA for atom 670: 5.336793437326E+00 SASA for atom 671: 1.418380801156E+00 SASA for atom 672: 7.181918388626E+00 SASA for atom 673: 2.976890146379E+01 SASA for atom 674: 0.000000000000E+00 SASA for atom 675: 0.000000000000E+00 SASA for atom 676: 1.568519934985E+00 SASA for atom 677: 2.571997186097E+00 SASA for atom 678: 3.614429515845E+00 SASA for atom 679: 2.957882326920E+00 SASA for atom 680: 9.455872007710E-02 SASA for atom 681: 4.928767521606E+00 SASA for atom 682: 1.114483318477E+01 SASA for atom 683: 0.000000000000E+00 SASA for atom 684: 0.000000000000E+00 SASA for atom 685: 0.000000000000E+00 SASA for atom 686: 1.344776251556E-01 SASA for atom 687: 3.079654994299E+00 SASA for atom 688: 1.248175105018E+00 SASA for atom 689: 6.258752408389E-01 SASA for atom 690: 4.348674679312E+00 SASA for atom 691: 5.668856325908E+00 SASA for atom 692: 1.784565239266E+00 SASA for atom 693: 1.882618274390E+00 SASA for atom 694: 0.000000000000E+00 SASA for atom 695: 1.126250110678E+00 SASA for atom 696: 6.714030453410E+00 SASA for atom 697: 3.782348803084E+00 SASA for atom 698: 7.823440510486E+00 SASA for atom 699: 1.808030058110E+01 SASA for atom 700: 9.461305721206E+00 SASA for atom 701: 8.548108294970E+00 SASA for atom 702: 3.109035258867E+01 SASA for atom 703: 6.039696074095E+00 SASA for atom 704: 0.000000000000E+00 SASA for atom 705: 4.034328754669E-01 SASA for atom 706: 4.189095923923E+00 SASA for atom 707: 2.950232066405E+00 SASA for atom 708: 5.413820833256E+00 SASA for atom 709: 2.186282473814E+00 SASA for atom 710: 8.775703857351E+00 SASA for atom 711: 2.329740114558E+01 SASA for atom 712: 1.739469871725E+01 SASA for atom 713: 0.000000000000E+00 SASA for atom 714: 5.883396100559E-01 SASA for atom 715: 3.443092540210E-01 SASA for atom 716: 1.134704640925E-01 SASA for atom 717: 3.567488872782E+00 SASA for atom 718: 3.800193188228E+00 SASA for atom 719: 2.677960864608E+00 SASA for atom 720: 1.336171585131E+01 SASA for atom 721: 6.561004118290E+00 SASA for atom 722: 0.000000000000E+00 SASA for atom 723: 6.219590163448E-01 SASA for atom 724: 8.225165512725E-01 SASA for atom 725: 1.059057664863E+00 SASA for atom 726: 7.979909320696E-01 SASA for atom 727: 8.416220142559E+00 SASA for atom 728: 3.409678487789E+00 SASA for atom 729: 1.715928114679E+01 SASA for atom 730: 0.000000000000E+00 SASA for atom 731: 0.000000000000E+00 SASA for atom 732: 8.236754540783E-01 SASA for atom 733: 7.651316756023E-01 SASA for atom 734: 1.777703937449E+00 SASA for atom 735: 2.697522288016E+01 SASA for atom 736: 1.132222506596E+01 SASA for atom 737: 7.228202507506E+00 SASA for atom 738: 1.768852808747E+01 SASA for atom 739: 2.090106253525E+01 SASA for atom 740: 2.970274545625E+01 SASA for atom 741: 0.000000000000E+00 SASA for atom 742: 0.000000000000E+00 SASA for atom 743: 0.000000000000E+00 SASA for atom 744: 0.000000000000E+00 SASA for atom 745: 4.151996676680E+00 SASA for atom 746: 7.249622626332E+00 SASA for atom 747: 1.947909633588E+00 SASA for atom 748: 1.416042732398E+01 SASA for atom 749: 2.129283502888E+01 SASA for atom 750: 2.997059576283E+00 SASA for atom 751: 1.588637461677E+01 SASA for atom 752: 8.875523260272E+00 SASA for atom 753: 2.595405833102E-02 SASA for atom 754: 5.429534115659E+00 SASA for atom 755: 1.596921798723E+00 SASA for atom 756: 0.000000000000E+00 SASA for atom 757: 0.000000000000E+00 SASA for atom 758: 0.000000000000E+00 SASA for atom 759: 0.000000000000E+00 SASA for atom 760: 0.000000000000E+00 SASA for atom 761: 0.000000000000E+00 SASA for atom 762: 7.900560477894E-01 SASA for atom 763: 1.377237016084E+00 SASA for atom 764: 2.855673346328E+00 SASA for atom 765: 2.178045838119E+01 SASA for atom 766: 5.269340039347E+00 SASA for atom 767: 5.307518400803E-01 SASA for atom 768: 0.000000000000E+00 SASA for atom 769: 0.000000000000E+00 SASA for atom 770: 1.210298626401E+00 SASA for atom 771: 4.590790053614E+00 SASA for atom 772: 8.321167366784E-01 SASA for atom 773: 1.760274114859E+01 SASA for atom 774: 1.737511009257E+01 SASA for atom 775: 6.354345989181E+00 SASA for atom 776: 3.134070268501E+01 SASA for atom 777: 2.899673792418E+01 SASA for atom 778: 0.000000000000E+00 SASA for atom 779: 0.000000000000E+00 SASA for atom 780: 0.000000000000E+00 SASA for atom 781: 6.723881257782E-02 SASA for atom 782: 9.181580107227E-01 SASA for atom 783: 1.872262657527E+00 SASA for atom 784: 1.198551086206E+01 SASA for atom 785: 1.480900025928E+01 SASA for atom 786: 2.726512288579E+00 SASA for atom 787: 3.827951027674E+00 SASA for atom 788: 1.178566897245E+01 SASA for atom 789: 4.821051530136E+00 SASA for atom 790: 1.560547633260E+01 SASA for atom 791: 3.665443672725E+00 SASA for atom 792: 1.290034585335E+01 SASA for atom 793: 6.753083416745E+00 SASA for atom 794: 2.090698832713E+01 SASA for atom 795: 4.116852992026E+00 SASA for atom 796: 2.177690883239E+01 SASA for atom 797: 0.000000000000E+00 SASA for atom 798: 0.000000000000E+00 SASA for atom 799: 9.413433760895E-01 SASA for atom 800: 5.355921729216E-01 SASA for atom 801: 7.564697606168E-02 SASA for atom 802: 0.000000000000E+00 SASA for atom 803: 9.228820708047E+00 SASA for atom 804: 8.733280277685E+00 SASA for atom 805: 4.771260689158E+01 SASA for atom 806: 0.000000000000E+00 SASA for atom 807: 0.000000000000E+00 SASA for atom 808: 0.000000000000E+00 SASA for atom 809: 8.607731350526E-01 SASA for atom 810: 1.702056961388E-01 SASA for atom 811: 1.788438500697E+01 SASA for atom 812: 1.523995000227E+01 SASA for atom 813: 2.697353618655E+01 SASA for atom 814: 1.119005075568E+01 SASA for atom 815: 1.143059813823E+00 SASA for atom 816: 8.492961599185E+00 SASA for atom 817: 2.288321025866E+00 SASA for atom 818: 1.843202584271E+01 SASA for atom 819: 3.018230671814E+00 SASA for atom 820: 2.107736015739E+01 SASA for atom 821: 2.827849532990E+01 SASA for atom 822: 3.000977301219E+01 SASA for atom 823: 7.553842362641E+01 SASA for atom 824: 0.000000000000E+00 SASA for atom 825: 1.691056136332E+01 SASA for atom 826: 2.295395026807E+00 SASA for atom 827: 1.323822081079E+00 SASA for atom 828: 2.550441606418E+00 SASA for atom 829: 4.466206427402E+00 SASA for atom 830: 1.764935083811E+01 SASA for atom 831: 2.334964062045E+01 SASA for atom 832: 1.087587793446E+01 SASA for atom 833: 1.116024508234E+00 SASA for atom 834: 1.008582188667E+01 SASA for atom 835: 2.872778267387E+01 SASA for atom 836: 0.000000000000E+00 SASA for atom 837: 0.000000000000E+00 SASA for atom 838: 0.000000000000E+00 SASA for atom 839: 0.000000000000E+00 SASA for atom 840: 0.000000000000E+00 SASA for atom 841: 0.000000000000E+00 SASA for atom 842: 0.000000000000E+00 SASA for atom 843: 0.000000000000E+00 SASA for atom 844: 1.613731501868E+00 SASA for atom 845: 2.180625275467E+00 SASA for atom 846: 1.153616384941E+00 SASA for atom 847: 3.442313824614E-01 SASA for atom 848: 6.287948522789E+00 SASA for atom 849: 0.000000000000E+00 SASA for atom 850: 1.805637277205E-02 SASA for atom 851: 4.214022354623E-01 SASA for atom 852: 2.076482868785E+00 SASA for atom 853: 1.579578701959E+01 SASA for atom 854: 2.889019643527E-01 SASA for atom 855: 1.400142911375E+00 SASA for atom 856: 2.798737779667E+00 SASA for atom 857: 2.248384830499E+01 SASA for atom 858: 6.933647144466E+00 SASA for atom 859: 1.060302398905E+01 SASA for atom 860: 0.000000000000E+00 SASA for atom 861: 2.689552503113E+00 SASA for atom 862: 7.651316756023E-02 SASA for atom 863: 2.647644162159E-01 SASA for atom 864: 3.035494918069E+00 SASA for atom 865: 2.761996080104E+00 SASA for atom 866: 2.360411166419E+00 SASA for atom 867: 1.286455820833E+01 SASA for atom 868: 2.470936485137E+01 SASA for atom 869: 0.000000000000E+00 SASA for atom 870: 0.000000000000E+00 SASA for atom 871: 8.033882593824E-01 SASA for atom 872: 5.295288324317E-01 SASA for atom 873: 7.666971700276E-01 SASA for atom 874: 2.272280463064E+00 SASA for atom 875: 0.000000000000E+00 SASA for atom 876: 1.065325993551E+00 SASA for atom 877: 4.078086149635E+00 SASA for atom 878: 2.419553951454E+00 SASA for atom 879: 9.043620291717E+00 SASA for atom 880: 1.588960803940E+00 SASA for atom 881: 2.780681406895E+00 SASA for atom 882: 6.389001634429E-01 SASA for atom 883: 1.841750022749E+00 SASA for atom 884: 7.585240238322E+00 SASA for atom 885: 3.430710826689E-01 SASA for atom 886: 7.748363684307E-01 SASA for atom 887: 1.480622567308E+00 SASA for atom 888: 5.328699235524E+00 SASA for atom 889: 0.000000000000E+00 SASA for atom 890: 0.000000000000E+00 SASA for atom 891: 1.311156845267E+00 SASA for atom 892: 1.492006767424E+00 SASA for atom 893: 2.326144513897E+00 SASA for atom 894: 1.517747459034E+00 SASA for atom 895: 3.623895566094E+00 SASA for atom 896: 1.051909145401E+01 SASA for atom 897: 8.491373062923E+00 SASA for atom 898: 1.322161446272E+01 SASA for atom 899: 2.334867766765E+01 SASA for atom 900: 0.000000000000E+00 SASA for atom 901: 0.000000000000E+00 SASA for atom 902: 0.000000000000E+00 SASA for atom 903: 1.025391891812E+00 SASA for atom 904: 5.164638810315E-01 SASA for atom 905: 1.456204289187E+00 SASA for atom 906: 6.211811765326E+00 SASA for atom 907: 1.269342879367E+01 SASA for atom 908: 3.618007279675E+00 SASA for atom 909: 1.621797200959E+01 SASA for atom 910: 9.079711052527E+00 SASA for atom 911: 0.000000000000E+00 SASA for atom 912: 0.000000000000E+00 SASA for atom 913: 1.606776518765E+00 SASA for atom 914: 3.158261250575E+00 SASA for atom 915: 4.396773566893E+00 SASA for atom 916: 6.307537147471E+00 SASA for atom 917: 7.404500129640E+00 SASA for atom 918: 1.682662860148E+01 SASA for atom 919: 1.802153470706E+01 SASA for atom 920: 3.222420092792E+01 SASA for atom 921: 0.000000000000E+00 SASA for atom 922: 0.000000000000E+00 SASA for atom 923: 0.000000000000E+00 SASA for atom 924: 0.000000000000E+00 SASA for atom 925: 3.193843597446E-01 SASA for atom 926: 3.825658378011E-02 SASA for atom 927: 2.534173698066E+00 SASA for atom 928: 2.503500963356E+00 SASA for atom 929: 8.423108613082E-01 SASA for atom 930: 4.875220648452E-01 SASA for atom 931: 1.697299040572E+00 SASA for atom 932: 2.745911340755E+00 SASA for atom 933: 1.137551484639E+00 SASA for atom 934: 2.324509105292E+00 SASA for atom 935: 1.336171585131E+00 SASA for atom 936: 1.359362049878E-02 SASA for atom 937: 1.552848058396E+00 SASA for atom 938: 1.087489639903E-01 SASA for atom 939: 1.986201004925E+00 SASA for atom 940: 3.520747709185E+00 SASA for atom 941: 0.000000000000E+00 SASA for atom 942: 1.798638236457E+00 SASA for atom 943: 3.060526702409E-01 SASA for atom 944: 3.631054850960E+00 SASA for atom 945: 0.000000000000E+00 SASA for atom 946: 4.622915424854E+00 SASA for atom 947: 6.620955142376E+00 SASA for atom 948: 1.702056961388E-01 SASA for atom 949: 1.564688102097E+00 SASA for atom 950: 1.800956005514E+01 SASA for atom 951: 0.000000000000E+00 SASA for atom 952: 1.832257642746E+00 SASA for atom 953: 6.886185080421E-01 SASA for atom 954: 6.997345285705E-01 SASA for atom 955: 0.000000000000E+00 SASA for atom 956: 2.180625275467E+00 SASA for atom 957: 9.064299131567E+00 SASA for atom 958: 0.000000000000E+00 SASA for atom 959: 1.680970314445E-02 SASA for atom 960: 2.601447697048E+00 SASA for atom 961: 9.455872007710E-01 SASA for atom 962: 1.189162957594E+00 SASA for atom 963: 1.130263644128E+01 SASA for atom 964: 3.502936317777E+00 SASA for atom 965: 9.615150198628E+00 SASA for atom 966: 3.412654453917E+00 SASA for atom 967: 3.479966847689E+00 SASA for atom 968: 3.358485335600E+00 SASA for atom 969: 1.812029612488E+01 SASA for atom 970: 1.798638236457E+00 SASA for atom 971: 0.000000000000E+00 SASA for atom 972: 0.000000000000E+00 SASA for atom 973: 0.000000000000E+00 SASA for atom 974: 1.445634470423E+00 SASA for atom 975: 7.460033837122E-01 SASA for atom 976: 3.290643458683E+00 SASA for atom 977: 1.838508519964E+01 SASA for atom 978: 4.035256684407E+00 SASA for atom 979: 1.625073549484E-01 SASA for atom 980: 1.986201004925E+00 SASA for atom 981: 3.969337185645E+00 SASA for atom 982: 2.166764732645E-01 SASA for atom 983: 3.887775462652E+00 SASA for atom 984: 1.697299040572E+00 SASA for atom 985: 1.359362049878E+00 SASA for atom 986: 3.611274554409E-01 SASA for atom 987: 1.332174808881E+00 SASA for atom 988: 1.444509821764E-01 SASA for atom 989: 2.582787894769E+00 SASA for atom 990: 0.000000000000E+00 SASA for atom 991: 0.000000000000E+00 SASA for atom 992: 7.536547004683E+00 SASA for atom 993: 2.080291841696E+00 SASA for atom 994: 1.611628745160E+00 SASA for atom 995: 9.931432713565E+00 SASA for atom 996: 2.708455915807E-01 SASA for atom 997: 8.305931475141E-01 SASA for atom 998: 9.651470554137E-01 SASA for atom 999: 6.157223115268E+00 SASA for atom 1000: 2.002340299471E+01 SASA for atom 1001: 2.816794152439E+00 SASA for atom 1002: 3.371217883699E+00 SASA for atom 1003: 5.687757423194E+00 SASA for atom 1004: 2.177698003905E+01 SASA for atom 1005: 3.430710826689E+00 SASA for atom 1006: 1.723671079246E+01 SASA for atom 1007: 0.000000000000E+00 SASA for atom 1008: 9.984963667806E+00 SASA for atom 1009: 6.580132410180E+00 SASA for atom 1010: 3.423025666791E+00 SASA for atom 1011: 1.096846359570E+01 SASA for atom 1012: 1.036238245656E+01 SASA for atom 1013: 6.373257733196E+00 SASA for atom 1014: 3.099647130255E+01 SASA for atom 1015: 2.612227868648E+01 SASA for atom 1016: 0.000000000000E+00 SASA for atom 1017: 0.000000000000E+00 SASA for atom 1018: 0.000000000000E+00 SASA for atom 1019: 6.572593929482E+00 SASA for atom 1020: 2.077332499260E+01 SASA for atom 1021: 1.323822081079E-01 SASA for atom 1022: 8.136378130905E-01 SASA for atom 1023: 0.000000000000E+00 SASA for atom 1024: 9.917724855228E-01 SASA for atom 1025: 1.874572605226E+00 SASA for atom 1026: 2.155938817758E+00 SASA for atom 1027: 8.136378130905E+00 SASA for atom 1028: 4.662779435303E+00 SASA for atom 1029: 7.687859986618E+00 SASA for atom 1030: 4.102538989609E+01 SASA for atom 1031: 0.000000000000E+00 SASA for atom 1032: 0.000000000000E+00 SASA for atom 1033: 5.379105006226E-01 SASA for atom 1034: 2.429293070037E+00 SASA for atom 1035: 6.184140293042E+00 SASA for atom 1036: 3.245163123750E+01 SASA for atom 1037: 1.089127532296E+01 SASA for atom 1038: 8.305576864993E+00 SASA for atom 1039: 7.999667718522E+00 SASA for atom 1040: 2.697522288016E+01 SASA for atom 1041: 3.227951554627E+01 SASA for atom 1042: 0.000000000000E+00 SASA for atom 1043: 1.462444173568E+00 SASA for atom 1044: 5.317665145436E+00 SASA for atom 1045: 5.106170884163E-01 SASA for atom 1046: 2.597382249481E+00 SASA for atom 1047: 6.875607263237E+00 SASA for atom 1048: 1.761017358875E+01 SASA for atom 1049: 2.544562346138E+01 SASA for atom 1050: 6.673452148349E+00 SASA for atom 1051: 3.244257291377E-01 SASA for atom 1052: 2.951783872166E+01 SASA for atom 1053: 2.375211054311E+01 SASA for atom 1054: 0.000000000000E+00 SASA for atom 1055: 0.000000000000E+00 SASA for atom 1056: 0.000000000000E+00 SASA for atom 1057: 0.000000000000E+00 SASA for atom 1058: 0.000000000000E+00 SASA for atom 1059: 0.000000000000E+00 SASA for atom 1060: 4.303284004980E+00 SASA for atom 1061: 4.782072972514E-01 SASA for atom 1062: 2.363968001927E+00 SASA for atom 1063: 2.321997143512E+01 SASA for atom 1064: 1.431724805861E+00 SASA for atom 1065: 3.961342619029E+00 SASA for atom 1066: 4.784988114075E+00 SASA for atom 1067: 0.000000000000E+00 SASA for atom 1068: 1.176679220112E-01 SASA for atom 1069: 4.495148594163E+00 SASA for atom 1070: 2.590908930112E+00 SASA for atom 1071: 1.564688102097E-01 SASA for atom 1072: 4.740447172944E+00 SASA for atom 1073: 6.562189268332E+00 SASA for atom 1074: 1.165523168554E+01 SASA for atom 1075: 1.628860234698E+01 SASA for atom 1076: 4.671730499583E-01 SASA for atom 1077: 1.097673615333E+01 SASA for atom 1078: 1.027072862126E+01 SASA for atom 1079: 0.000000000000E+00 SASA for atom 1080: 0.000000000000E+00 SASA for atom 1081: 0.000000000000E+00 SASA for atom 1082: 0.000000000000E+00 SASA for atom 1083: 0.000000000000E+00 SASA for atom 1084: 0.000000000000E+00 SASA for atom 1085: 2.992127159713E+00 SASA for atom 1086: 1.185954097184E+00 SASA for atom 1087: 1.891174401542E+00 SASA for atom 1088: 4.568889258124E+00 SASA for atom 1089: 1.002937583697E+01 SASA for atom 1090: 2.515192226512E-01 SASA for atom 1091: 7.805021595909E+00 SASA for atom 1092: 1.815942210505E+01 SASA for atom 1093: 0.000000000000E+00 SASA for atom 1094: 8.404851572227E-02 SASA for atom 1095: 1.377237016084E+00 SASA for atom 1096: 1.153616384941E+00 SASA for atom 1097: 7.354034079857E-01 SASA for atom 1098: 3.937313560999E+00 SASA for atom 1099: 2.805406714186E+00 SASA for atom 1100: 7.177482171112E+00 SASA for atom 1101: 1.762993571538E+01 SASA for atom 1102: 0.000000000000E+00 SASA for atom 1103: 8.741045635116E-01 SASA for atom 1104: 4.590790053614E-01 SASA for atom 1105: 2.080291841696E+00 SASA for atom 1106: 2.300091510083E+00 SASA for atom 1107: 1.077374357487E+00 SASA for atom 1108: 1.279137191708E+01 SASA for atom 1109: 2.042468353665E+00 SASA for atom 1110: 5.085236331816E+00 SASA for atom 1111: 5.867580382865E+00 SASA for atom 1112: 0.000000000000E+00 SASA for atom 1113: 2.370168143368E+00 SASA for atom 1114: 2.448421361927E+00 SASA for atom 1115: 1.077969408879E+00 SASA for atom 1116: 9.388128612583E-02 SASA for atom 1117: 4.191965681860E+00 SASA for atom 1118: 4.250731555904E+00 SASA for atom 1119: 6.620955142376E+00 SASA for atom 1120: 3.899851129513E+00 SASA for atom 1121: 7.915987790960E-01 SASA for atom 1122: 8.606568009961E+00 SASA for atom 1123: 3.493056313418E+01 SASA for atom 1124: 0.000000000000E+00 SASA for atom 1125: 0.000000000000E+00 SASA for atom 1126: 0.000000000000E+00 SASA for atom 1127: 0.000000000000E+00 SASA for atom 1128: 0.000000000000E+00 SASA for atom 1129: 0.000000000000E+00 SASA for atom 1130: 1.983544971046E+00 SASA for atom 1131: 1.319852140414E+00 SASA for atom 1132: 6.808227845551E-01 SASA for atom 1133: 9.544597422793E-01 SASA for atom 1134: 1.664161394435E+00 SASA for atom 1135: 1.334365947854E+01 SASA for atom 1136: 0.000000000000E+00 SASA for atom 1137: 0.000000000000E+00 SASA for atom 1138: 3.361940628891E-02 SASA for atom 1139: 9.564145945029E-02 SASA for atom 1140: 2.269409281850E+00 SASA for atom 1141: 2.456560320293E+00 SASA for atom 1142: 1.218900848233E+00 SASA for atom 1143: 2.162584164847E+01 SASA for atom 1144: 1.309988549263E+01 SASA for atom 1145: 7.247791132187E+00 SASA for atom 1146: 0.000000000000E+00 SASA for atom 1147: 1.546492689290E+00 SASA for atom 1148: 1.262467264744E+00 SASA for atom 1149: 7.564697606168E-02 SASA for atom 1150: 7.338387198836E+00 SASA for atom 1151: 6.209594024063E+00 SASA for atom 1152: 0.000000000000E+00 SASA for atom 1153: 1.751468158888E+00 SASA for atom 1154: 1.495298254866E-01 SASA for atom 1155: 4.550205938556E+00 SASA for atom 1156: 1.242456913589E+01 SASA for atom 1157: 0.000000000000E+00 SASA for atom 1158: 6.932746454380E-01 SASA for atom 1159: 1.155607857411E+00 SASA for atom 1160: 5.097607687044E+00 SASA for atom 1161: 9.028186386023E-02 SASA for atom 1162: 3.538345600536E-01 SASA for atom 1163: 0.000000000000E+00 SASA for atom 1164: 0.000000000000E+00 SASA for atom 1165: 2.420597252801E+00 SASA for atom 1166: 5.738487567017E-01 SASA for atom 1167: 1.834439169496E+00 SASA for atom 1168: 1.376925529846E+01 SASA for atom 1169: 6.660132391740E+00 SASA for atom 1170: 1.134704640925E-01 SASA for atom 1171: 2.957260512964E+00 SASA for atom 1172: 4.454571333281E+00 SASA for atom 1173: 0.000000000000E+00 SASA for atom 1174: 0.000000000000E+00 SASA for atom 1175: 0.000000000000E+00 SASA for atom 1176: 5.832966991126E+00 SASA for atom 1177: 1.778931145775E+00 SASA for atom 1178: 1.853350913511E+00 SASA for atom 1179: 2.185869278630E+01 SASA for atom 1180: 1.657197648062E+01 SASA for atom 1181: 2.276198188000E+01 SASA for atom 1182: 8.264432134738E+00 SASA for atom 1183: 2.742898242976E+01 SASA for atom 1184: 3.439265263355E+01 SASA for atom 1185: 0.000000000000E+00 SASA for atom 1186: 0.000000000000E+00 SASA for atom 1187: 0.000000000000E+00 SASA for atom 1188: 7.060075320671E-01 SASA for atom 1189: 1.281595556634E+00 SASA for atom 1190: 3.214996482621E-01 SASA for atom 1191: 2.159269580894E+00 SASA for atom 1192: 1.398627802265E+01 SASA for atom 1193: 2.227226626296E+01 SASA for atom 1194: 6.732580869489E+00 SASA for atom 1195: 2.545747542112E+01 SASA for atom 1196: 3.091823689744E+01 SASA for atom 1197: 0.000000000000E+00 SASA for atom 1198: 6.236399866593E+00 SASA for atom 1199: 2.677960864608E-01 SASA for atom 1200: 1.040145920848E+00 SASA for atom 1201: 6.274399289410E+00 SASA for atom 1202: 1.214494730258E+01 SASA for atom 1203: 6.385891646197E+00 SASA for atom 1204: 3.668878338991E+00 SASA for atom 1205: 1.904225420252E+01 SASA for atom 1206: 2.988554275006E+00 SASA for atom 1207: 0.000000000000E+00 SASA for atom 1208: 4.202425786114E-01 SASA for atom 1209: 7.651316756023E-02 SASA for atom 1210: 4.160583683392E-01 SASA for atom 1211: 5.476408357340E-01 SASA for atom 1212: 8.423108613082E+00 SASA for atom 1213: 5.420102124457E+00 SASA for atom 1214: 0.000000000000E+00 SASA for atom 1215: 0.000000000000E+00 SASA for atom 1216: 4.202425786114E-01 SASA for atom 1217: 1.147697513403E+00 SASA for atom 1218: 3.214996482621E+00 SASA for atom 1219: 4.787945592417E+00 SASA for atom 1220: 2.902144876744E-01 SASA for atom 1221: 1.225662939056E+01 SASA for atom 1222: 2.823927411585E+00 SASA for atom 1223: 0.000000000000E+00 SASA for atom 1224: 1.243918032690E+00 SASA for atom 1225: 2.773602324058E+00 SASA for atom 1226: 1.153616384941E+00 SASA for atom 1227: 1.392572410867E+00 SASA for atom 1228: 3.741427314183E+00 SASA for atom 1229: 8.618994859898E+00 SASA for atom 1230: 8.991178728848E+00 SASA for atom 1231: 3.126604784869E+00 SASA for atom 1232: 3.893108749652E-02 SASA for atom 1233: 9.514291979761E+00 SASA for atom 1234: 3.069451794177E+01 SASA for atom 1235: 0.000000000000E+00 SASA for atom 1236: 0.000000000000E+00 SASA for atom 1237: 0.000000000000E+00 SASA for atom 1238: 0.000000000000E+00 SASA for atom 1239: 0.000000000000E+00 SASA for atom 1240: 0.000000000000E+00 SASA for atom 1241: 2.739981612546E+00 SASA for atom 1242: 1.166825805293E+00 SASA for atom 1243: 1.512939521234E+00 SASA for atom 1244: 2.456560320293E+00 SASA for atom 1245: 4.309497429949E-01 SASA for atom 1246: 5.416911831614E-02 SASA for atom 1247: 5.416911831614E-02 SASA for atom 1248: 7.476491274332E-01 SASA for atom 1249: 2.166764732645E+00 SASA for atom 1250: 3.846994601156E+00 SASA for atom 1251: 6.319730470216E-01 SASA for atom 1252: 2.664349617762E+00 SASA for atom 1253: 9.028186386023E-02 SASA for atom 1254: 1.971074972324E+00 SASA for atom 1255: 4.514093193011E-01 SASA for atom 1256: 3.316843401703E+00 SASA for atom 1257: 0.000000000000E+00 SASA for atom 1258: 6.169161054015E+00 SASA for atom 1259: 2.238010151137E+00 SASA for atom 1260: 3.404113922775E-01 SASA for atom 1261: 3.098082442152E+00 SASA for atom 1262: 1.049950282933E+01 SASA for atom 1263: 6.959521797674E+00 SASA for atom 1264: 2.691263535607E+00 SASA for atom 1265: 8.292846941115E+00 SASA for atom 1266: 0.000000000000E+00 SASA for atom 1267: 1.344776251556E+00 SASA for atom 1268: 3.634375459111E-01 SASA for atom 1269: 2.836761602313E-01 SASA for atom 1270: 1.754015362451E+01 SASA for atom 1271: 9.911844088883E+00 SASA for atom 1272: 2.246849456340E+01 SASA for atom 1273: 0.000000000000E+00 SASA for atom 1274: 0.000000000000E+00 SASA for atom 1275: 5.211007974781E-01 SASA for atom 1276: 7.517418712792E+00 SASA for atom 1277: 3.366290434745E+00 SASA for atom 1278: 2.393972796209E+01 SASA for atom 1279: 1.437805051628E+01 SASA for atom 1280: 5.465494020456E+00 SASA for atom 1281: 2.151446140384E+01 SASA for atom 1282: 1.985589201561E+01 SASA for atom 1283: 0.000000000000E+00 SASA for atom 1284: 2.017164377335E-01 SASA for atom 1285: 5.298536853546E+00 SASA for atom 1286: 3.933642755207E+00 SASA for atom 1287: 1.613193433262E+01 SASA for atom 1288: 3.656702544698E+00 SASA for atom 1289: 1.882618274390E+01 SASA for atom 1290: 3.223983794893E+01 SASA for atom 1291: 0.000000000000E+00 SASA for atom 1292: 2.101212893057E+00 SASA for atom 1293: 1.847792996580E+01 SASA for atom 1294: 4.898141699994E+00 SASA for atom 1295: 2.347032153146E-01 SASA for atom 1296: 0.000000000000E+00 SASA for atom 1297: 3.698134691780E-01 SASA for atom 1298: 7.460033837122E-01 SASA for atom 1299: 2.174850561773E+00 SASA for atom 1300: 1.013917890159E+01 SASA for atom 1301: 5.876587404476E+00 SASA for atom 1302: 7.600386376456E+00 SASA for atom 1303: 7.318844933967E+00 SASA for atom 1304: 3.058965239600E+01 SASA for atom 1305: 1.631969690487E+01 SASA for atom 1306: 0.000000000000E+00 SASA for atom 1307: 1.344776251556E-01 SASA for atom 1308: 4.782072972514E-01 SASA for atom 1309: 2.477438466020E+00 SASA for atom 1310: 1.002965073444E+01 SASA for atom 1311: 5.582758034252E+00 SASA for atom 1312: 1.859806395521E+00 SASA for atom 1313: 2.004257377697E+00 SASA for atom 1314: 1.413736531874E+00 SASA for atom 1315: 2.889019643527E-01 SASA for atom 1316: 1.576859977859E+00 SASA for atom 1317: 1.263946094043E-01 SASA for atom 1318: 2.718724099757E+00 SASA for atom 1319: 3.791838282130E-01 SASA for atom 1320: 8.061016955779E+00 SASA for atom 1321: 1.083382366323E-01 SASA for atom 1322: 1.479671796588E+00 SASA for atom 1323: 0.000000000000E+00 SASA for atom 1324: 0.000000000000E+00 SASA for atom 1325: 1.529682986145E+00 SASA for atom 1326: 3.538733999661E+00 SASA for atom 1327: 1.512939521234E-01 SASA for atom 1328: 5.632877167550E-01 SASA for atom 1329: 1.016649620974E+01 SASA for atom 1330: 2.333005199577E+01 SASA for atom 1331: 1.727716696916E+01 SASA for atom 1332: 1.454039321995E+01 SASA for atom 1333: 3.633568166342E-01 SASA for atom 1334: 1.791914355199E+01 SASA for atom 1335: 2.375211054311E+01 SASA for atom 1336: 0.000000000000E+00 SASA for atom 1337: 0.000000000000E+00 SASA for atom 1338: 0.000000000000E+00 SASA for atom 1339: 0.000000000000E+00 SASA for atom 1340: 0.000000000000E+00 SASA for atom 1341: 0.000000000000E+00 SASA for atom 1342: 2.370168143368E+00 SASA for atom 1343: 9.372863026128E-01 SASA for atom 1344: 2.401791489958E+00 SASA for atom 1345: 1.857284777189E+01 SASA for atom 1346: 2.033619948482E+01 SASA for atom 1347: 0.000000000000E+00 SASA for atom 1348: 6.051493132004E-01 SASA for atom 1349: 5.011612475195E+00 SASA for atom 1350: 2.912408578375E+00 SASA for atom 1351: 2.276621188551E+01 SASA for atom 1352: 1.046706918879E+01 SASA for atom 1353: 2.174816319061E+01 SASA for atom 1354: 1.629641443769E+01 SASA for atom 1355: 0.000000000000E+00 SASA for atom 1356: 8.068657509338E-01 SASA for atom 1357: 5.298536853546E+00 SASA for atom 1358: 4.690112515824E+00 SASA for atom 1359: 2.785144821733E+00 SASA for atom 1360: 1.153118897693E+01 SASA for atom 1361: 7.478775928405E+00 SASA for atom 1362: 2.125789801499E+01 SASA for atom 1363: 0.000000000000E+00 SASA for atom 1364: 0.000000000000E+00 SASA for atom 1365: 6.623023038915E+00 SASA for atom 1366: 9.181580107227E-01 SASA for atom 1367: 8.888519687247E-01 SASA for atom 1368: 1.574076230710E+01 SASA for atom 1369: 2.334964062045E+01 SASA for atom 1370: 2.391771073622E+01 SASA for atom 1371: 6.203052037058E+00 SASA for atom 1372: 5.883227263885E+00 SASA for atom 1373: 3.304621271629E+01 SASA for atom 1374: 0.000000000000E+00 SASA for atom 1375: 1.428824767279E+00 SASA for atom 1376: 9.946711782830E-01 SASA for atom 1377: 3.593231362930E-01 SASA for atom 1378: 3.974307779327E+00 SASA for atom 1379: 7.384911504958E+00 SASA for atom 1380: 9.886640213443E+00 SASA for atom 1381: 2.427793149682E+01 SASA for atom 1382: 2.604288612906E+01 SASA for atom 1383: 0.000000000000E+00 SASA for atom 1384: 3.361940628891E-02 SASA for atom 1385: 3.519605707771E+00 SASA for atom 1386: 1.512939521234E-01 SASA for atom 1387: 1.267397362699E+00 SASA for atom 1388: 0.000000000000E+00 SASA for atom 1389: 1.344776251556E-01 SASA for atom 1390: 1.185954097184E+00 SASA for atom 1391: 4.917053444009E-01 SASA for atom 1392: 1.189162957594E+00 SASA for atom 1393: 8.344754114356E+00 SASA for atom 1394: 9.931432713565E+00 SASA for atom 1395: 2.013710617267E+01 SASA for atom 1396: 1.269132587406E+01 SASA for atom 1397: 9.473231290821E-01 SASA for atom 1398: 2.153322972805E+01 SASA for atom 1399: 3.397241005494E+01 SASA for atom 1400: 0.000000000000E+00 SASA for atom 1401: 0.000000000000E+00 SASA for atom 1402: 0.000000000000E+00 SASA for atom 1403: 0.000000000000E+00 SASA for atom 1404: 0.000000000000E+00 SASA for atom 1405: 0.000000000000E+00 SASA for atom 1406: 6.219590163448E-01 SASA for atom 1407: 8.129524053274E+00 SASA for atom 1408: 1.891174401542E-02 SASA for atom 1409: 4.349832923830E+00 SASA for atom 1410: 1.849166169942E+01 SASA for atom 1411: 2.983347539006E+01 SASA for atom 1412: 1.090312637733E+01 SASA for atom 1413: 0.000000000000E+00 SASA for atom 1414: 7.651316756023E-02 SASA for atom 1415: 6.240875525088E-01 SASA for atom 1416: 2.018447651705E+00 SASA for atom 1417: 4.152788432496E+00 SASA for atom 1418: 3.555407874899E+00 SASA for atom 1419: 3.129376204194E-02 SASA for atom 1420: 2.221857104978E+00 SASA for atom 1421: 0.000000000000E+00 SASA for atom 1422: 4.034328754669E-01 SASA for atom 1423: 2.505806237597E+00 SASA for atom 1424: 2.250497537835E+00 SASA for atom 1425: 5.679817810613E+00 SASA for atom 1426: 9.452312586000E+00 SASA for atom 1427: 0.000000000000E+00 SASA for atom 1428: 1.311156845267E+00 SASA for atom 1429: 6.809671912860E+00 SASA for atom 1430: 4.727936003855E+00 SASA for atom 1431: 7.604384176192E+00 SASA for atom 1432: 2.532809171329E+01 SASA for atom 1433: 1.545542487377E+01 SASA for atom 1434: 9.115460615432E+00 SASA for atom 1435: 3.146587773317E+01 SASA for atom 1436: 5.804992858781E+00 SASA for atom 1437: 0.000000000000E+00 SASA for atom 1438: 4.706716880447E+00 SASA for atom 1439: 6.809671912860E+00 SASA for atom 1440: 1.702056961388E-01 SASA for atom 1441: 5.789345977760E-01 SASA for atom 1442: 7.463266003685E+00 SASA for atom 1443: 1.968144632153E+00 SASA for atom 1444: 4.514093193011E+00 SASA for atom 1445: 1.659781062902E+01 SASA for atom 1446: 1.047269620779E+00 SASA for atom 1447: 4.078086149635E-01 SASA for atom 1448: 3.322372590056E+00 SASA for atom 1449: 2.055355419416E+01 SASA for atom 1450: 4.171022110343E+00 SASA for atom 1451: 1.875919628832E+00 SASA for atom 1452: 5.705813795966E+00 SASA for atom 1453: 3.039760538642E+01 SASA for atom 1454: 0.000000000000E+00 SASA for atom 1455: 0.000000000000E+00 SASA for atom 1456: 9.749627823784E-01 SASA for atom 1457: 1.530263351205E-01 SASA for atom 1458: 6.429992965243E-01 SASA for atom 1459: 3.129376204194E-02 SASA for atom 1460: 2.957882326920E+00 SASA for atom 1461: 1.444509821764E-01 SASA for atom 1462: 5.416911831614E-01 SASA for atom 1463: 6.688061285402E+00 SASA for atom 1464: 0.000000000000E+00 SASA for atom 1465: 6.723881257782E-02 SASA for atom 1466: 0.000000000000E+00 SASA for atom 1467: 5.416911831614E-02 SASA for atom 1468: 1.617640839355E+00 SASA for atom 1469: 6.861421653377E-01 SASA for atom 1470: 8.971789529198E-01 SASA for atom 1471: 2.997357880160E+00 SASA for atom 1472: 3.629496673176E+00 SASA for atom 1473: 4.134909364798E+00 SASA for atom 1474: 5.328699235524E+00 SASA for atom 1475: 0.000000000000E+00 SASA for atom 1476: 0.000000000000E+00 SASA for atom 1477: 1.983544971046E+00 SASA for atom 1478: 1.052056053953E+00 SASA for atom 1479: 2.609820674128E+00 SASA for atom 1480: 2.437784063067E+01 SASA for atom 1481: 1.439763914097E+01 SASA for atom 1482: 2.269409281850E+00 SASA for atom 1483: 2.972907393985E-01 SASA for atom 1484: 9.463862870328E+00 SASA for atom 1485: 0.000000000000E+00 SASA for atom 1486: 0.000000000000E+00 SASA for atom 1487: 0.000000000000E+00 SASA for atom 1488: 2.185261408779E+00 SASA for atom 1489: 5.795872442687E+00 SASA for atom 1490: 1.248175105018E+00 SASA for atom 1491: 1.775920995880E+01 SASA for atom 1492: 2.987265263942E+01 SASA for atom 1493: 1.938048385748E+01 SASA for atom 1494: 0.000000000000E+00 SASA for atom 1495: 0.000000000000E+00 SASA for atom 1496: 0.000000000000E+00 SASA for atom 1497: 4.495148594163E+00 SASA for atom 1498: 2.780026370267E+00 SASA for atom 1499: 5.007001926711E-01 SASA for atom 1500: 2.331046337109E+00 SASA for atom 1501: 1.437805051628E+01 SASA for atom 1502: 5.957199364857E+00 SASA for atom 1503: 2.448736879782E+01 SASA for atom 1504: 6.169161054015E+00 SASA for atom 1505: 0.000000000000E+00 SASA for atom 1506: 0.000000000000E+00 SASA for atom 1507: 0.000000000000E+00 SASA for atom 1508: 4.067948160958E+00 SASA for atom 1509: 6.637517285850E+00 SASA for atom 1510: 1.456204289187E+00 SASA for atom 1511: 9.435069255646E+00 SASA for atom 1512: 1.666991960403E+01 SASA for atom 1513: 2.094023978462E+01 SASA for atom 1514: 2.540644621202E+01 SASA for atom 1515: 2.050929004162E+01 SASA for atom 1516: 3.173671953673E+01 SASA for atom 1517: 0.000000000000E+00 SASA for atom 1518: 0.000000000000E+00 SASA for atom 1519: 0.000000000000E+00 SASA for atom 1520: 0.000000000000E+00 SASA for atom 1521: 6.891978289226E-01 SASA for atom 1522: 4.476020302273E+00 SASA for atom 1523: 1.134704640925E+00 SASA for atom 1524: 1.283044243720E+01 SASA for atom 1525: 1.907932043987E+01 SASA for atom 1526: 1.253848628222E+01 SASA for atom 1527: 3.349997226590E+01 SASA for atom 1528: 2.963519265372E+01 SASA for atom 1529: 0.000000000000E+00 SASA for atom 1530: 1.210298626401E+00 SASA for atom 1531: 8.645987934306E+00 SASA for atom 1532: 3.025879042467E-01 SASA for atom 1533: 1.220456719636E+00 SASA for atom 1534: 1.569048836995E+01 SASA for atom 1535: 4.121045724977E+00 SASA for atom 1536: 4.255501724403E+00 SASA for atom 1537: 1.882618274390E+00 SASA for atom 1538: 0.000000000000E+00 SASA for atom 1539: 0.000000000000E+00 SASA for atom 1540: 2.352779902477E+00 SASA for atom 1541: 2.080291841696E-01 SASA for atom 1542: 1.048341028405E+00 SASA for atom 1543: 6.346714396834E+00 SASA for atom 1544: 6.713628481536E+00 SASA for atom 1545: 1.017790504592E+01 SASA for atom 1546: 1.098193993394E+00 SASA for atom 1547: 0.000000000000E+00 SASA for atom 1548: 8.572948603672E-01 SASA for atom 1549: 2.333651610587E+00 SASA for atom 1550: 1.418380801156E+00 SASA for atom 1551: 1.444207118236E+01 SASA for atom 1552: 1.753181909002E+01 SASA for atom 1553: 2.466207847412E+01 SASA for atom 1554: 1.282216244245E+01 SASA for atom 1555: 2.495677522845E+01 SASA for atom 1556: 3.273327509587E+01 SASA for atom 1557: 0.000000000000E+00 SASA for atom 1558: 2.924888347135E+00 SASA for atom 1559: 7.096596291211E+00 SASA for atom 1560: 9.455872007710E-02 SASA for atom 1561: 2.691263535607E+00 SASA for atom 1562: 1.451517088906E+01 SASA for atom 1563: 2.654258644355E+01 SASA for atom 1564: 4.217318915438E+00 SASA for atom 1565: 1.372231465539E+01 SASA for atom 1566: 9.900915152084E+00 SASA for atom 1567: 0.000000000000E+00 SASA for atom 1568: 0.000000000000E+00 SASA for atom 1569: 0.000000000000E+00 SASA for atom 1570: 0.000000000000E+00 SASA for atom 1571: 7.268750918222E-01 SASA for atom 1572: 0.000000000000E+00 SASA for atom 1573: 2.675616654586E+00 SASA for atom 1574: 2.585698457969E+00 SASA for atom 1575: 4.289908805268E+00 SASA for atom 1576: 1.173358618427E+01 SASA for atom 1577: 2.941698050280E+00 SASA for atom 1578: 5.839663124479E-01 SASA for atom 1579: 1.099354585647E+01 SASA for atom 1580: 3.933470535802E+00 SASA for atom 1581: 0.000000000000E+00 SASA for atom 1582: 0.000000000000E+00 SASA for atom 1583: 0.000000000000E+00 SASA for atom 1584: 0.000000000000E+00 SASA for atom 1585: 0.000000000000E+00 SASA for atom 1586: 0.000000000000E+00 SASA for atom 1587: 1.680970314445E-01 SASA for atom 1588: 3.060526702409E+00 SASA for atom 1589: 1.758792193434E+00 SASA for atom 1590: 1.192292333798E+01 SASA for atom 1591: 2.589616182906E+01 SASA for atom 1592: 5.974530527884E+00 SASA for atom 1593: 2.485796472093E+01 SASA for atom 1594: 1.176679220112E-01 SASA for atom 1595: 7.915987790960E-01 SASA for atom 1596: 8.135896321916E+00 SASA for atom 1597: 2.550031967014E+01 SASA for atom 1598: 0.000000000000E+00 SASA for atom 1599: 0.000000000000E+00 SASA for atom 1600: 0.000000000000E+00 SASA for atom 1601: 0.000000000000E+00 SASA for atom 1602: 0.000000000000E+00 SASA for atom 1603: 0.000000000000E+00 SASA for atom 1604: 2.067593486768E+00 SASA for atom 1605: 7.039211415541E+00 SASA for atom 1606: 2.118115329727E+00 SASA for atom 1607: 3.223257490320E+00 SASA for atom 1608: 3.892705494442E+01 SASA for atom 1609: 0.000000000000E+00 SASA for atom 1610: 1.680970314445E-02 SASA for atom 1611: 3.251809621310E-01 SASA for atom 1612: 2.288321025866E+00 SASA for atom 1613: 1.908919484559E+00 SASA for atom 1614: 6.491110925241E+00 SASA for atom 1615: 0.000000000000E+00 SASA for atom 1616: 3.361940628891E-02 SASA for atom 1617: 2.314523318697E+00 SASA for atom 1618: 7.564697606168E-02 SASA for atom 1619: 1.267397362699E+00 SASA for atom 1620: 2.070196678744E+00 SASA for atom 1621: 1.576692804802E+01 SASA for atom 1622: 1.308027488561E+01 SASA for atom 1623: 0.000000000000E+00 SASA for atom 1624: 1.008582188667E-01 SASA for atom 1625: 1.587648226875E+00 SASA for atom 1626: 5.862640644780E+00 SASA for atom 1627: 6.086636717158E+00 SASA for atom 1628: 2.985306401474E+01 SASA for atom 1629: 2.817849858297E+00 SASA for atom 1630: 2.127975818852E+01 SASA for atom 1631: 7.666971700276E-01 SASA for atom 1632: 0.000000000000E+00 SASA for atom 1633: 2.655933096824E+00 SASA for atom 1634: 7.345264085782E+00 SASA for atom 1635: 9.077637127401E-01 SASA for atom 1636: 1.187598269492E+01 SASA for atom 1637: 1.120227922423E+01 SASA for atom 1638: 6.578106139177E+00 SASA for atom 1639: 3.967225801137E+01 SASA for atom 1640: 0.000000000000E+00 SASA for atom 1641: 0.000000000000E+00 SASA for atom 1642: 5.715299069115E-01 SASA for atom 1643: 1.798059437665E+00 SASA for atom 1644: 5.484405764472E-01 SASA for atom 1645: 2.503500963356E-01 SASA for atom 1646: 5.367283162755E+00 SASA for atom 1647: 0.000000000000E+00 SASA for atom 1648: 3.611274554409E-02 SASA for atom 1649: 1.875919628832E+00 SASA for atom 1650: 1.715355413344E+00 SASA for atom 1651: 3.520747709185E+00 SASA for atom 1652: 7.222549108818E-02 SASA for atom 1653: 9.515534349149E-02 SASA for atom 1654: 4.730769666276E+00 SASA for atom 1655: 5.165575789538E+00 SASA for atom 1656: 1.805637277205E+00 SASA for atom 1657: 6.738940030111E+00 SASA for atom 1658: 0.000000000000E+00 SASA for atom 1659: 0.000000000000E+00 SASA for atom 1660: 9.749627823784E-01 SASA for atom 1661: 2.238010151137E+00 SASA for atom 1662: 1.323822081079E-01 SASA for atom 1663: 8.136378130905E-01 SASA for atom 1664: 6.886185080421E-01 SASA for atom 1665: 2.437610324226E+00 SASA for atom 1666: 0.000000000000E+00 SASA for atom 1667: 9.581530792339E-01 SASA for atom 1668: 1.645033102545E+00 SASA for atom 1669: 4.330789379531E+00 SASA for atom 1670: 1.373796153641E+01 SASA for atom 1671: 7.913804371361E+00 SASA for atom 1672: 1.012731896038E+01 SASA for atom 1673: 1.547501349845E+01 SASA for atom 1674: 3.395560035180E+00 SASA for atom 1675: 3.374027583032E-01 SASA for atom 1676: 1.680970314445E-01 SASA for atom 1677: 2.864373415815E+01 SASA for atom 1678: 0.000000000000E+00 SASA for atom 1679: 0.000000000000E+00 SASA for atom 1680: 0.000000000000E+00 SASA for atom 1681: 0.000000000000E+00 SASA for atom 1682: 0.000000000000E+00 SASA for atom 1683: 0.000000000000E+00 SASA for atom 1684: 3.244272706880E+00 SASA for atom 1685: 5.566332940007E+00 SASA for atom 1686: 0.000000000000E+00 SASA for atom 1687: 4.302892280767E+00 SASA for atom 1688: 8.227222366266E+00 SASA for atom 1689: 8.125367747421E-01 SASA for atom 1690: 1.432186707908E+01 SASA for atom 1691: 1.101438739095E+00 SASA for atom 1692: 2.596381515268E+00 SASA for atom 1693: 1.021990698898E+01 SASA for atom 1694: 2.266056537147E+01 SASA for atom 1695: 3.630895879202E+00 SASA for atom 1696: 0.000000000000E+00 SASA for atom 1697: 0.000000000000E+00 SASA for atom 1698: 0.000000000000E+00 SASA for atom 1699: 0.000000000000E+00 SASA for atom 1700: 1.013799470173E+00 SASA for atom 1701: 1.115792896910E+00 SASA for atom 1702: 2.409619677230E+00 SASA for atom 1703: 8.677760733943E+00 SASA for atom 1704: 7.753815046322E-01 SASA for atom 1705: 3.457960705635E+00 SASA for atom 1706: 3.025746566002E+00 SASA for atom 1707: 0.000000000000E+00 SASA for atom 1708: 0.000000000000E+00 SASA for atom 1709: 0.000000000000E+00 SASA for atom 1710: 4.538619849003E-01 SASA for atom 1711: 4.858586140075E+00 SASA for atom 1712: 1.399469057141E+00 SASA for atom 1713: 5.398173952235E+00 SASA for atom 1714: 1.273260604303E+00 SASA for atom 1715: 1.715355413344E+00 SASA for atom 1716: 3.900176518762E+00 SASA for atom 1717: 1.227503931040E+01 SASA for atom 1718: 4.116852992026E+00 SASA for atom 1719: 4.485894764599E+00 SASA for atom 1720: 5.001615257857E+00 SASA for atom 1721: 9.678657795135E+00 SASA for atom 1722: 8.667058930582E-01 SASA for atom 1723: 3.248875299210E+00 SASA for atom 1724: 1.081576729046E+01 SASA for atom 1725: 4.020847273336E+00 SASA for atom 1726: 0.000000000000E+00 SASA for atom 1727: 0.000000000000E+00 SASA for atom 1728: 1.344776251556E+00 SASA for atom 1729: 2.326000293831E+01 SASA for atom 1730: 4.935965188024E+00 SASA for atom 1731: 2.874332043553E+01 SASA for atom 1732: 0.000000000000E+00 SASA for atom 1733: 1.933115861612E+00 SASA for atom 1734: 1.778931145775E+00 SASA for atom 1735: 2.401791489958E+00 SASA for atom 1736: 9.059544111143E+00 SASA for atom 1737: 1.083467420651E+00 SASA for atom 1738: 4.157448689278E+00 SASA for atom 1739: 9.275817122776E+00 SASA for atom 1740: 0.000000000000E+00 SASA for atom 1741: 0.000000000000E+00 SASA for atom 1742: 6.503619242619E+00 SASA for atom 1743: 3.177172994590E+00 SASA for atom 1744: 9.388128612583E-02 SASA for atom 1745: 0.000000000000E+00 SASA for atom 1746: 3.530037660335E+00 SASA for atom 1747: 3.347451080760E+00 SASA for atom 1748: 0.000000000000E+00 SASA for atom 1749: 6.415221218599E-01 SASA for atom 1750: 1.343779653157E+01 SASA for atom 1751: 4.720858548262E+00 SASA for atom 1752: 7.016257029721E+00 SASA for atom 1753: 1.830685079454E+01 SASA for atom 1754: 2.703781040424E+01 SASA for atom 1755: 0.000000000000E+00 SASA for atom 1756: 1.832257642746E+00 SASA for atom 1757: 3.672632042891E+00 SASA for atom 1758: 2.780026370267E+00 SASA for atom 1759: 2.476901265620E+01 SASA for atom 1760: 2.630752294737E+01 SASA for atom 1761: 1.709664260622E+01 SASA for atom 1762: 0.000000000000E+00 SASA for atom 1763: 0.000000000000E+00 SASA for atom 1764: 7.396269383560E-01 SASA for atom 1765: 6.121053404818E+00 SASA for atom 1766: 2.174850561773E+00 SASA for atom 1767: 5.711111572655E+00 SASA for atom 1768: 1.408422114606E+01 SASA for atom 1769: 5.416911831614E-01 SASA for atom 1770: 0.000000000000E+00 SASA for atom 1771: 2.378883587287E+00 SASA for atom 1772: 2.690399543035E+00 SASA for atom 1773: 3.479966847689E+00 SASA for atom 1774: 4.875220648452E-01 SASA for atom 1775: 1.862326008334E+00 SASA for atom 1776: 2.004257377697E+00 SASA for atom 1777: 3.615903052677E+00 SASA for atom 1778: 2.166764732645E-01 SASA for atom 1779: 6.389001634429E-01 SASA for atom 1780: 0.000000000000E+00 SASA for atom 1781: 1.849067345890E-01 SASA for atom 1782: 5.394178312996E+00 SASA for atom 1783: 4.917053444009E-01 SASA for atom 1784: 1.215762655330E+01 SASA for atom 1785: 1.934763251163E-01 SASA for atom 1786: 3.779596436936E+00 SASA for atom 1787: 2.157166772739E+01 SASA for atom 1788: 0.000000000000E+00 SASA for atom 1789: 0.000000000000E+00 SASA for atom 1790: 0.000000000000E+00 SASA for atom 1791: 6.694902161520E-01 SASA for atom 1792: 1.002322432817E+00 SASA for atom 1793: 1.721156912307E+01 SASA for atom 1794: 0.000000000000E+00 SASA for atom 1795: 2.368961328608E+01 SASA for atom 1796: 8.805162554179E+00 SASA for atom 1797: 0.000000000000E+00 SASA for atom 1798: 1.092630704390E+00 SASA for atom 1799: 3.557862291551E+00 SASA for atom 1800: 2.458526722005E+00 SASA for atom 1801: 1.279914867516E+01 SASA for atom 1802: 1.185111793236E+01 SASA for atom 1803: 1.022526208379E+01 SASA for atom 1804: 8.377902598831E+00 SASA for atom 1805: 2.832085464796E+01 SASA for atom 1806: 2.830754009526E+01 SASA for atom 1807: 0.000000000000E+00 SASA for atom 1808: 0.000000000000E+00 SASA for atom 1809: 0.000000000000E+00 SASA for atom 1810: 5.244627381070E+00 SASA for atom 1811: 7.153981166881E+00 SASA for atom 1812: 2.704379394205E+00 SASA for atom 1813: 1.261138610290E+01 SASA for atom 1814: 1.218412455195E+01 SASA for atom 1815: 2.058764454035E+01 SASA for atom 1816: 1.986286542713E+01 SASA for atom 1817: 9.413433760895E+00 SASA for atom 1818: 1.427473208206E-01 SASA for atom 1819: 1.575069184635E+01 SASA for atom 1820: 2.729895790659E+01 SASA for atom 1821: 0.000000000000E+00 SASA for atom 1822: 0.000000000000E+00 SASA for atom 1823: 0.000000000000E+00 SASA for atom 1824: 0.000000000000E+00 SASA for atom 1825: 0.000000000000E+00 SASA for atom 1826: 0.000000000000E+00 SASA for atom 1827: 3.967089942091E+00 SASA for atom 1828: 5.068997350865E+00 SASA for atom 1829: 9.134372359447E+00 SASA for atom 1830: 2.411184365332E+01 SASA for atom 1831: 2.385894486217E+01 SASA for atom 1832: 2.889322140534E+01 SASA for atom 1833: 1.500488650610E+01 SASA for atom 1834: 1.376714687531E+01 SASA for atom 1835: 5.709892832824E-01 SASA for atom 1836: 1.285942290551E+01 SASA for atom 1837: 3.847741049766E+01 SASA for atom 1838: 0.000000000000E+00 SASA for atom 1839: 0.000000000000E+00 SASA for atom 1840: 0.000000000000E+00 SASA for atom 1841: 0.000000000000E+00 SASA for atom 1842: 0.000000000000E+00 SASA for atom 1843: 0.000000000000E+00 SASA for atom 1844: 1.210298626401E+00 SASA for atom 1845: 7.574803588463E+00 SASA for atom 1846: 3.095852495324E+01 SASA for atom 1847: 1.486453696992E+00 SASA for atom 1848: 9.228820708047E+00 SASA for atom 1849: 3.969186861839E+01 SASA for atom 1850: 2.170894197656E+01 SASA for atom 1851: 7.799029234910E+01 SASA for atom 1852: 0.000000000000E+00 SASA for atom 1853: 8.152706025061E+00 SASA for atom 1854: 1.520699205260E+01 SASA for atom 1855: 2.761114626251E+00 SASA for atom 1856: 4.381126685872E+00 SASA for atom 1857: 1.645444473253E+01 SASA for atom 1858: 2.080311941185E+01 SASA for atom 1859: 2.102199278717E+01 SASA for atom 1860: 0.000000000000E+00 SASA for atom 1861: 0.000000000000E+00 SASA for atom 1862: 4.874813911892E+00 SASA for atom 1863: 1.664161394435E+00 SASA for atom 1864: 9.266754567555E-01 SASA for atom 1865: 1.087458230958E+01 SASA for atom 1866: 1.081292082424E+01 SASA for atom 1867: 1.653279923126E+01 SASA for atom 1868: 2.325169749704E+01 SASA for atom 1869: 2.282074775405E+01 SASA for atom 1870: 3.000532011285E+01 SASA for atom 1871: 0.000000000000E+00 SASA for atom 1872: 0.000000000000E+00 SASA for atom 1873: 0.000000000000E+00 SASA for atom 1874: 0.000000000000E+00 SASA for atom 1875: 3.866231723225E-01 SASA for atom 1876: 1.740674561995E+00 SASA for atom 1877: 1.342733825095E+00 SASA for atom 1878: 1.473936192176E+01 SASA for atom 1879: 4.622915424854E+00 SASA for atom 1880: 3.611274554409E-02 SASA for atom 1881: 5.416911831614E-01 SASA for atom 1882: 2.039043074818E-01 SASA for atom 1883: 3.791838282130E-01 SASA for atom 1884: 2.174979279806E+00 SASA for atom 1885: 2.257046596506E+00 SASA for atom 1886: 1.056224312756E+01 SASA for atom 1887: 7.764240291980E-01 SASA for atom 1888: 0.000000000000E+00 SASA for atom 1889: 1.300058839587E+00 SASA for atom 1890: 8.829780612246E+00 SASA for atom 1891: 0.000000000000E+00 SASA for atom 1892: 0.000000000000E+00 SASA for atom 1893: 8.068657509338E-01 SASA for atom 1894: 7.421777253342E+00 SASA for atom 1895: 6.808227845551E-01 SASA for atom 1896: 1.408219291887E+00 SASA for atom 1897: 1.644548763489E+00 SASA for atom 1898: 1.704161750464E+01 SASA for atom 1899: 4.002524893782E+01 SASA for atom 1900: 0.000000000000E+00 SASA for atom 1901: 7.228172352116E-01 SASA for atom 1902: 1.530263351205E-01 SASA for atom 1903: 5.673523204626E-02 SASA for atom 1904: 1.470806815971E+01 SASA for atom 1905: 2.546521208606E-01 SASA for atom 1906: 1.065621182678E+01 SASA for atom 1907: 4.720858548262E+00 SASA for atom 1908: 1.770811671215E+01 SASA for atom 1909: 6.219590163448E+00 SASA for atom 1910: 0.000000000000E+00 SASA for atom 1911: 0.000000000000E+00 SASA for atom 1912: 0.000000000000E+00 SASA for atom 1913: 0.000000000000E+00 SASA for atom 1914: 3.361940628891E-02 SASA for atom 1915: 1.262467264744E+00 SASA for atom 1916: 9.266754567555E-01 SASA for atom 1917: 7.197565269647E-01 SASA for atom 1918: 1.194906105577E+00 SASA for atom 1919: 6.307537147471E+00 SASA for atom 1920: 2.912408578375E+00 SASA for atom 1921: 8.558843918472E+00 SASA for atom 1922: 1.499425520485E+01 SASA for atom 1923: 0.000000000000E+00 SASA for atom 1924: 0.000000000000E+00 SASA for atom 1925: 0.000000000000E+00 SASA for atom 1926: 2.908078643991E+00 SASA for atom 1927: 1.032927762063E+00 SASA for atom 1928: 1.891174401542E-01 SASA for atom 1929: 8.574490799493E+00 SASA for atom 1930: 2.278157050469E+01 SASA for atom 1931: 6.373257733196E+00 SASA for atom 1932: 1.666392828734E+01 SASA for atom 1933: 2.877821178331E+01 SASA for atom 1934: 0.000000000000E+00 SASA for atom 1935: 0.000000000000E+00 SASA for atom 1936: 0.000000000000E+00 SASA for atom 1937: 3.008936862857E+00 SASA for atom 1938: 2.352779902477E+00 SASA for atom 1939: 1.512939521234E-01 SASA for atom 1940: 1.841637896168E+01 SASA for atom 1941: 5.436684735768E+00 SASA for atom 1942: 6.143854633657E+00 SASA for atom 1943: 1.745344025216E+00 SASA for atom 1944: 0.000000000000E+00 SASA for atom 1945: 0.000000000000E+00 SASA for atom 1946: 5.328675896792E+00 SASA for atom 1947: 3.883043253682E+00 SASA for atom 1948: 2.836761602313E-01 SASA for atom 1949: 3.129376204194E+00 SASA for atom 1950: 6.385891646197E+00 SASA for atom 1951: 2.495844594000E+00 SASA for atom 1952: 1.608069776042E+00 SASA for atom 1953: 2.596444370096E+01 SASA for atom 1954: 0.000000000000E+00 SASA for atom 1955: 8.219944837638E+00 SASA for atom 1956: 2.104112107906E-01 SASA for atom 1957: 0.000000000000E+00 SASA for atom 1958: 7.604384176192E+00 SASA for atom 1959: 6.797252764511E+00 SASA for atom 1960: 1.762976221343E+01 SASA for atom 1961: 2.507343959243E+01 SASA for atom 1962: 7.345734255595E+00 SASA for atom 1963: 2.205433052552E+01 SASA for atom 1964: 0.000000000000E+00 SASA for atom 1965: 0.000000000000E+00 SASA for atom 1966: 0.000000000000E+00 SASA for atom 1967: 0.000000000000E+00 SASA for atom 1968: 2.857649534557E-01 SASA for atom 1969: 1.912829189006E-02 SASA for atom 1970: 1.891174401542E-02 SASA for atom 1971: 1.043646964099E+01 SASA for atom 1972: 1.332026478348E+00 SASA for atom 1973: 3.656702544698E+00 SASA for atom 1974: 7.706968560785E+00 SASA for atom 1975: 2.333662235963E+00 SASA for atom 1976: 0.000000000000E+00 SASA for atom 1977: 3.361940628891E-02 SASA for atom 1978: 4.609918345504E+00 SASA for atom 1979: 2.950232066405E+00 SASA for atom 1980: 5.226058261005E+00 SASA for atom 1981: 1.561004319182E+01 SASA for atom 1982: 0.000000000000E+00 SASA for atom 1983: 2.420597252801E+00 SASA for atom 1984: 7.919112842484E+00 SASA for atom 1985: 7.375580166014E-01 SASA for atom 1986: 3.409455374470E+01 SASA for atom 1987: 5.204513145628E+00 SASA for atom 1988: 2.116574004684E+01 SASA for atom 1989: 4.018213379401E+01 SASA for atom 1990: 5.524529738976E+01 SASA for atom 1991: 0.000000000000E+00 SASA for atom 1992: 0.000000000000E+00 Total solvent accessible surface area: 11834.8 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 1.844024434947E+01 Surface tension*area energy for atom 1: 4.954227599525E+00 Surface tension*area energy for atom 2: 1.588586497295E+00 Surface tension*area energy for atom 3: 2.957260512964E+00 Surface tension*area energy for atom 4: 5.523992160207E+00 Surface tension*area energy for atom 5: 1.372284330675E+00 Surface tension*area energy for atom 6: 1.119526229421E+01 Surface tension*area energy for atom 7: 6.753083416745E+00 Surface tension*area energy for atom 8: 1.867763456533E+01 Surface tension*area energy for atom 9: 6.265561351900E+00 Surface tension*area energy for atom 10: 2.199447796703E+01 Surface tension*area energy for atom 11: 1.267451617092E+01 Surface tension*area energy for atom 12: 0.000000000000E+00 Surface tension*area energy for atom 13: 0.000000000000E+00 Surface tension*area energy for atom 14: 0.000000000000E+00 Surface tension*area energy for atom 15: 0.000000000000E+00 Surface tension*area energy for atom 16: 0.000000000000E+00 Surface tension*area energy for atom 17: 4.370522817558E-01 Surface tension*area energy for atom 18: 1.530263351205E-01 Surface tension*area energy for atom 19: 3.952554499223E+00 Surface tension*area energy for atom 20: 3.254551252362E+00 Surface tension*area energy for atom 21: 7.429490884466E+00 Surface tension*area energy for atom 22: 7.452030669461E+00 Surface tension*area energy for atom 23: 3.398518197415E+01 Surface tension*area energy for atom 24: 0.000000000000E+00 Surface tension*area energy for atom 25: 1.008582188667E-01 Surface tension*area energy for atom 26: 1.587648226875E+00 Surface tension*area energy for atom 27: 3.214996482621E-01 Surface tension*area energy for atom 28: 6.383927456557E+00 Surface tension*area energy for atom 29: 5.223860778140E-01 Surface tension*area energy for atom 30: 7.404500129640E+00 Surface tension*area energy for atom 31: 9.648418656249E+00 Surface tension*area energy for atom 32: 1.365327140307E+01 Surface tension*area energy for atom 33: 0.000000000000E+00 Surface tension*area energy for atom 34: 9.749627823784E-01 Surface tension*area energy for atom 35: 0.000000000000E+00 Surface tension*area energy for atom 36: 2.950232066405E+00 Surface tension*area energy for atom 37: 8.918722181954E-01 Surface tension*area energy for atom 38: 3.095621201861E-01 Surface tension*area energy for atom 39: 3.780604563546E+00 Surface tension*area energy for atom 40: 1.590420229719E+01 Surface tension*area energy for atom 41: 3.668949402861E+01 Surface tension*area energy for atom 42: 0.000000000000E+00 Surface tension*area energy for atom 43: 1.832257642746E+00 Surface tension*area energy for atom 44: 1.549391643095E+00 Surface tension*area energy for atom 45: 1.569674753280E+00 Surface tension*area energy for atom 46: 1.439513053929E+00 Surface tension*area energy for atom 47: 5.876587404476E-01 Surface tension*area energy for atom 48: 7.933392996043E+00 Surface tension*area energy for atom 49: 5.295288324317E-01 Surface tension*area energy for atom 50: 0.000000000000E+00 Surface tension*area energy for atom 51: 6.723881257782E-02 Surface tension*area energy for atom 52: 0.000000000000E+00 Surface tension*area energy for atom 53: 0.000000000000E+00 Surface tension*area energy for atom 54: 0.000000000000E+00 Surface tension*area energy for atom 55: 2.000354674190E+00 Surface tension*area energy for atom 56: 2.257138443027E+00 Surface tension*area energy for atom 57: 4.935965188024E+00 Surface tension*area energy for atom 58: 6.305693051452E+00 Surface tension*area energy for atom 59: 2.845499079313E+01 Surface tension*area energy for atom 60: 0.000000000000E+00 Surface tension*area energy for atom 61: 5.429534115659E+00 Surface tension*area energy for atom 62: 2.620575988938E+00 Surface tension*area energy for atom 63: 3.196084738606E+00 Surface tension*area energy for atom 64: 3.786545207075E+00 Surface tension*area energy for atom 65: 1.508324100482E+00 Surface tension*area energy for atom 66: 4.152788432496E+00 Surface tension*area energy for atom 67: 1.323822081079E+00 Surface tension*area energy for atom 68: 0.000000000000E+00 Surface tension*area energy for atom 69: 6.947215173312E+00 Surface tension*area energy for atom 70: 0.000000000000E+00 Surface tension*area energy for atom 71: 1.512873283001E+00 Surface tension*area energy for atom 72: 1.759802853885E+00 Surface tension*area energy for atom 73: 9.455872007710E-01 Surface tension*area energy for atom 74: 4.850533116501E+00 Surface tension*area energy for atom 75: 3.545541067367E+00 Surface tension*area energy for atom 76: 1.661186295028E+00 Surface tension*area energy for atom 77: 2.870963270755E+00 Surface tension*area energy for atom 78: 9.107725734186E-01 Surface tension*area energy for atom 79: 4.839107902908E+00 Surface tension*area energy for atom 80: 1.727749165396E+01 Surface tension*area energy for atom 81: 3.322372590056E+00 Surface tension*area energy for atom 82: 1.079333467604E+01 Surface tension*area energy for atom 83: 4.171022110343E+00 Surface tension*area energy for atom 84: 1.385189928826E+01 Surface tension*area energy for atom 85: 3.972402009850E+00 Surface tension*area energy for atom 86: 1.790279819690E+01 Surface tension*area energy for atom 87: 0.000000000000E+00 Surface tension*area energy for atom 88: 1.008582188667E+00 Surface tension*area energy for atom 89: 7.651316756023E-02 Surface tension*area energy for atom 90: 0.000000000000E+00 Surface tension*area energy for atom 91: 4.850533116501E-01 Surface tension*area energy for atom 92: 5.132219666576E+00 Surface tension*area energy for atom 93: 1.444509821764E-01 Surface tension*area energy for atom 94: 1.679242667800E+00 Surface tension*area energy for atom 95: 3.507154088686E+00 Surface tension*area energy for atom 96: 1.083382366323E-01 Surface tension*area energy for atom 97: 1.753577044343E+00 Surface tension*area energy for atom 98: 2.636230424719E+00 Surface tension*area energy for atom 99: 1.438205048771E+01 Surface tension*area energy for atom 100: 5.055784376173E-01 Surface tension*area energy for atom 101: 0.000000000000E+00 Surface tension*area energy for atom 102: 3.737669163813E+00 Surface tension*area energy for atom 103: 2.283841251255E+00 Surface tension*area energy for atom 104: 0.000000000000E+00 Surface tension*area energy for atom 105: 0.000000000000E+00 Surface tension*area energy for atom 106: 1.344776251556E-01 Surface tension*area energy for atom 107: 0.000000000000E+00 Surface tension*area energy for atom 108: 0.000000000000E+00 Surface tension*area energy for atom 109: 6.102283598179E-01 Surface tension*area energy for atom 110: 3.251711697143E+00 Surface tension*area energy for atom 111: 1.528462968419E+00 Surface tension*area energy for atom 112: 1.104077175502E+01 Surface tension*area energy for atom 113: 4.265307027915E+01 Surface tension*area energy for atom 114: 0.000000000000E+00 Surface tension*area energy for atom 115: 7.396269383560E-01 Surface tension*area energy for atom 116: 1.912829189006E-02 Surface tension*area energy for atom 117: 1.040145920848E+00 Surface tension*area energy for atom 118: 1.095281671468E-01 Surface tension*area energy for atom 119: 1.825659820324E+01 Surface tension*area energy for atom 120: 3.290643458683E+00 Surface tension*area energy for atom 121: 6.743805720039E+00 Surface tension*area energy for atom 122: 8.690616525683E+00 Surface tension*area energy for atom 123: 0.000000000000E+00 Surface tension*area energy for atom 124: 0.000000000000E+00 Surface tension*area energy for atom 125: 0.000000000000E+00 Surface tension*area energy for atom 126: 3.530037660335E-01 Surface tension*area energy for atom 127: 9.028553772107E+00 Surface tension*area energy for atom 128: 3.158261250575E+00 Surface tension*area energy for atom 129: 1.907354796456E+01 Surface tension*area energy for atom 130: 2.397647661026E+01 Surface tension*area energy for atom 131: 2.965717776792E+01 Surface tension*area energy for atom 132: 2.257138443027E+00 Surface tension*area energy for atom 133: 1.680970314445E-02 Surface tension*area energy for atom 134: 5.987155361588E+00 Surface tension*area energy for atom 135: 1.002322432817E+00 Surface tension*area energy for atom 136: 2.020012339807E+01 Surface tension*area energy for atom 137: 1.426051876820E+01 Surface tension*area energy for atom 138: 4.009289731269E+00 Surface tension*area energy for atom 139: 8.762253371744E-01 Surface tension*area energy for atom 140: 1.509924018524E+01 Surface tension*area energy for atom 141: 0.000000000000E+00 Surface tension*area energy for atom 142: 3.530037660335E-01 Surface tension*area energy for atom 143: 3.825658378011E-02 Surface tension*area energy for atom 144: 1.645321729341E+00 Surface tension*area energy for atom 145: 1.631969690487E+01 Surface tension*area energy for atom 146: 7.463266003685E+00 Surface tension*area energy for atom 147: 5.308517288710E+00 Surface tension*area energy for atom 148: 7.243197957906E+00 Surface tension*area energy for atom 149: 2.617723194809E+01 Surface tension*area energy for atom 150: 2.963550664367E+01 Surface tension*area energy for atom 151: 0.000000000000E+00 Surface tension*area energy for atom 152: 0.000000000000E+00 Surface tension*area energy for atom 153: 0.000000000000E+00 Surface tension*area energy for atom 154: 4.370522817558E-01 Surface tension*area energy for atom 155: 5.241151977876E+00 Surface tension*area energy for atom 156: 8.132049926630E-01 Surface tension*area energy for atom 157: 1.392572410867E+00 Surface tension*area energy for atom 158: 2.701271343591E+01 Surface tension*area energy for atom 159: 1.429813290398E+01 Surface tension*area energy for atom 160: 0.000000000000E+00 Surface tension*area energy for atom 161: 0.000000000000E+00 Surface tension*area energy for atom 162: 4.790765396170E+00 Surface tension*area energy for atom 163: 5.030740767085E+00 Surface tension*area energy for atom 164: 6.732580869489E+00 Surface tension*area energy for atom 165: 1.661698764427E+01 Surface tension*area energy for atom 166: 0.000000000000E+00 Surface tension*area energy for atom 167: 6.051493132004E-01 Surface tension*area energy for atom 168: 6.828800204750E+00 Surface tension*area energy for atom 169: 3.820172291115E+00 Surface tension*area energy for atom 170: 4.271598518725E+00 Surface tension*area energy for atom 171: 6.483834769605E+00 Surface tension*area energy for atom 172: 1.804112333174E+01 Surface tension*area energy for atom 173: 5.389847044394E+00 Surface tension*area energy for atom 174: 2.943178320045E+01 Surface tension*area energy for atom 175: 1.998106706378E+01 Surface tension*area energy for atom 176: 0.000000000000E+00 Surface tension*area energy for atom 177: 2.958507753424E+00 Surface tension*area energy for atom 178: 1.147697513403E+00 Surface tension*area energy for atom 179: 1.702056961388E-01 Surface tension*area energy for atom 180: 3.536195110740E+00 Surface tension*area energy for atom 181: 3.016648200964E+00 Surface tension*area energy for atom 182: 7.403112836539E-01 Surface tension*area energy for atom 183: 1.552848058396E+00 Surface tension*area energy for atom 184: 2.338102725791E+00 Surface tension*area energy for atom 185: 2.166764732645E+00 Surface tension*area energy for atom 186: 6.389001634429E-01 Surface tension*area energy for atom 187: 2.112595614329E+00 Surface tension*area energy for atom 188: 1.495298254866E-01 Surface tension*area energy for atom 189: 2.419553951454E+00 Surface tension*area energy for atom 190: 1.440923772871E+00 Surface tension*area energy for atom 191: 5.236348103893E-01 Surface tension*area energy for atom 192: 0.000000000000E+00 Surface tension*area energy for atom 193: 0.000000000000E+00 Surface tension*area energy for atom 194: 1.815447939601E+00 Surface tension*area energy for atom 195: 1.262467264744E+00 Surface tension*area energy for atom 196: 1.588586497295E+00 Surface tension*area energy for atom 197: 4.756651830375E+00 Surface tension*area energy for atom 198: 6.660132391740E+00 Surface tension*area energy for atom 199: 6.350592907499E+00 Surface tension*area energy for atom 200: 5.814152032599E+00 Surface tension*area energy for atom 201: 3.066265189976E+01 Surface tension*area energy for atom 202: 0.000000000000E+00 Surface tension*area energy for atom 203: 5.379105006226E-01 Surface tension*area energy for atom 204: 9.181580107227E-01 Surface tension*area energy for atom 205: 7.564697606168E-02 Surface tension*area energy for atom 206: 9.544597422793E-01 Surface tension*area energy for atom 207: 2.742407455422E+00 Surface tension*area energy for atom 208: 1.083382366323E-01 Surface tension*area energy for atom 209: 3.791838282130E-01 Surface tension*area energy for atom 210: 1.726389803346E+00 Surface tension*area energy for atom 211: 1.877862768293E+00 Surface tension*area energy for atom 212: 2.270134623297E+00 Surface tension*area energy for atom 213: 4.333529465291E-01 Surface tension*area energy for atom 214: 5.437448199514E-02 Surface tension*area energy for atom 215: 1.877862768293E+00 Surface tension*area energy for atom 216: 3.221688058212E+00 Surface tension*area energy for atom 217: 3.448767199461E+00 Surface tension*area energy for atom 218: 6.796810249392E-02 Surface tension*area energy for atom 219: 0.000000000000E+00 Surface tension*area energy for atom 220: 1.462444173568E+00 Surface tension*area energy for atom 221: 1.434621891754E+00 Surface tension*area energy for atom 222: 9.455872007710E-02 Surface tension*area energy for atom 223: 8.918722181954E-01 Surface tension*area energy for atom 224: 8.070513368814E+00 Surface tension*area energy for atom 225: 2.893496834359E+00 Surface tension*area energy for atom 226: 1.214197967227E+01 Surface tension*area energy for atom 227: 2.095117368708E+01 Surface tension*area energy for atom 228: 0.000000000000E+00 Surface tension*area energy for atom 229: 0.000000000000E+00 Surface tension*area energy for atom 230: 2.104112107906E-01 Surface tension*area energy for atom 231: 0.000000000000E+00 Surface tension*area energy for atom 232: 2.910319869901E+00 Surface tension*area energy for atom 233: 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Surface tension*area energy for atom 250: 1.561213387122E+01 Surface tension*area energy for atom 251: 9.512607239756E+00 Surface tension*area energy for atom 252: 2.253150867020E+00 Surface tension*area energy for atom 253: 5.194764498963E+00 Surface tension*area energy for atom 254: 0.000000000000E+00 Surface tension*area energy for atom 255: 1.075821001245E+00 Surface tension*area energy for atom 256: 2.130891716552E+01 Surface tension*area energy for atom 257: 3.649966594976E+00 Surface tension*area energy for atom 258: 2.958825201066E+01 Surface tension*area energy for atom 259: 0.000000000000E+00 Surface tension*area energy for atom 260: 1.680970314445E-02 Surface tension*area energy for atom 261: 6.082796821038E+00 Surface tension*area energy for atom 262: 1.021234176833E+00 Surface tension*area energy for atom 263: 2.393972796209E+00 Surface tension*area energy for atom 264: 1.565131112059E+01 Surface tension*area energy for atom 265: 8.340079110800E+00 Surface tension*area 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0.000000000000E+00 Surface tension*area energy for atom 283: 1.315639010791E+00 Surface tension*area energy for atom 284: 5.053865167849E+00 Surface tension*area energy for atom 285: 8.491392841781E+00 Surface tension*area energy for atom 286: 1.192947243109E+01 Surface tension*area energy for atom 287: 0.000000000000E+00 Surface tension*area energy for atom 288: 2.857649534557E-01 Surface tension*area energy for atom 289: 0.000000000000E+00 Surface tension*area energy for atom 290: 0.000000000000E+00 Surface tension*area energy for atom 291: 2.300091510083E+00 Surface tension*area energy for atom 292: 2.664052956696E+00 Surface tension*area energy for atom 293: 1.029213248007E+00 Surface tension*area energy for atom 294: 9.389313841464E-01 Surface tension*area energy for atom 295: 6.524937839417E-01 Surface tension*area energy for atom 296: 1.769524531660E+00 Surface tension*area energy for atom 297: 4.485894764599E-01 Surface tension*area energy for atom 298: 1.787580904433E+00 Surface tension*area energy for atom 299: 1.712796182847E+00 Surface tension*area energy for atom 300: 2.690399543035E+00 Surface tension*area energy for atom 301: 3.683871155171E+00 Surface tension*area energy for atom 302: 3.430710826689E-01 Surface tension*area energy for atom 303: 7.340555069344E-01 Surface tension*area energy for atom 304: 0.000000000000E+00 Surface tension*area energy for atom 305: 2.185261408779E-01 Surface tension*area energy for atom 306: 1.472878475534E+00 Surface tension*area energy for atom 307: 1.966821377604E+00 Surface tension*area energy for atom 308: 1.220456719636E+00 Surface tension*area energy for atom 309: 4.936333419760E+00 Surface tension*area energy for atom 310: 3.864063773218E+00 Surface tension*area energy for atom 311: 1.013625099611E+01 Surface tension*area energy for atom 312: 7.673958428119E+00 Surface tension*area energy for atom 313: 8.876634185706E+00 Surface tension*area energy for atom 314: 1.012962512512E+01 Surface tension*area energy for atom 315: 1.568703805560E+01 Surface tension*area energy for atom 316: 1.190126982627E+01 Surface tension*area energy for atom 317: 0.000000000000E+00 Surface tension*area energy for atom 318: 0.000000000000E+00 Surface tension*area energy for atom 319: 0.000000000000E+00 Surface tension*area energy for atom 320: 4.874813911892E-01 Surface tension*area energy for atom 321: 4.016941296912E-01 Surface tension*area energy for atom 322: 1.512939521234E-01 Surface tension*area energy for atom 323: 9.513303660751E+00 Surface tension*area energy for atom 324: 3.269749894465E+00 Surface tension*area energy for atom 325: 5.745907858295E+00 Surface tension*area energy for atom 326: 6.275394247967E-01 Surface tension*area energy for atom 327: 0.000000000000E+00 Surface tension*area energy for atom 328: 3.294701816313E+00 Surface tension*area energy for atom 329: 5.528076356227E+00 Surface tension*area energy for atom 330: 1.059057664863E+00 Surface tension*area energy for atom 331: 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Surface tension*area energy for atom 348: 3.687790083007E+00 Surface tension*area energy for atom 349: 1.170386700369E+01 Surface tension*area energy for atom 350: 4.010369136591E+01 Surface tension*area energy for atom 351: 0.000000000000E+00 Surface tension*area energy for atom 352: 5.042910943336E-02 Surface tension*area energy for atom 353: 4.476020302273E+00 Surface tension*area energy for atom 354: 2.099203585712E+00 Surface tension*area energy for atom 355: 1.890143227333E+01 Surface tension*area energy for atom 356: 9.853078214838E+00 Surface tension*area energy for atom 357: 2.440742635326E+01 Surface tension*area energy for atom 358: 5.739467031705E+00 Surface tension*area energy for atom 359: 3.059743175264E+01 Surface tension*area energy for atom 360: 2.077679308655E+01 Surface tension*area energy for atom 361: 0.000000000000E+00 Surface tension*area energy for atom 362: 0.000000000000E+00 Surface tension*area energy for atom 363: 0.000000000000E+00 Surface tension*area 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Surface tension*area energy for atom 397: 2.067593486768E+00 Surface tension*area energy for atom 398: 4.954227599525E+00 Surface tension*area energy for atom 399: 1.550763009264E+00 Surface tension*area energy for atom 400: 3.864779612180E+00 Surface tension*area energy for atom 401: 1.838025088605E+00 Surface tension*area energy for atom 402: 3.778963973698E+01 Surface tension*area energy for atom 403: 1.713967053976E+01 Surface tension*area energy for atom 404: 0.000000000000E+00 Surface tension*area energy for atom 405: 2.319739033935E+00 Surface tension*area energy for atom 406: 1.912829189006E-02 Surface tension*area energy for atom 407: 1.437292545172E+00 Surface tension*area energy for atom 408: 1.473936192176E+01 Surface tension*area energy for atom 409: 5.974530527884E+00 Surface tension*area energy for atom 410: 1.083382366323E-01 Surface tension*area energy for atom 411: 2.058426496013E+00 Surface tension*area energy for atom 412: 1.904466231880E+01 Surface tension*area energy for atom 413: 9.750441296905E-01 Surface tension*area energy for atom 414: 1.015306069925E+01 Surface tension*area energy for atom 415: 1.029213248007E+00 Surface tension*area energy for atom 416: 1.805637277205E-02 Surface tension*area energy for atom 417: 1.359362049878E-02 Surface tension*area energy for atom 418: 1.625073549484E+00 Surface tension*area energy for atom 419: 2.623568756265E+00 Surface tension*area energy for atom 420: 3.791838282130E-01 Surface tension*area energy for atom 421: 6.796810249392E-01 Surface tension*area energy for atom 422: 5.597475559334E-01 Surface tension*area energy for atom 423: 1.169051362895E+00 Surface tension*area energy for atom 424: 0.000000000000E+00 Surface tension*area energy for atom 425: 0.000000000000E+00 Surface tension*area energy for atom 426: 4.706716880447E-01 Surface tension*area energy for atom 427: 4.820329556294E+00 Surface tension*area energy for atom 428: 2.269409281850E-01 Surface tension*area energy for atom 429: 2.245327426509E+01 Surface tension*area energy for atom 430: 1.136140231532E+00 Surface tension*area energy for atom 431: 1.431928464224E+01 Surface tension*area energy for atom 432: 6.523012018968E+00 Surface tension*area energy for atom 433: 1.032115773070E+01 Surface tension*area energy for atom 434: 4.152649332963E-01 Surface tension*area energy for atom 435: 2.988765219084E+01 Surface tension*area energy for atom 436: 3.545166393166E+01 Surface tension*area energy for atom 437: 0.000000000000E+00 Surface tension*area energy for atom 438: 0.000000000000E+00 Surface tension*area energy for atom 439: 0.000000000000E+00 Surface tension*area energy for atom 440: 0.000000000000E+00 Surface tension*area energy for atom 441: 0.000000000000E+00 Surface tension*area energy for atom 442: 0.000000000000E+00 Surface tension*area energy for atom 443: 8.404851572227E-02 Surface tension*area energy for atom 444: 2.888372075399E+00 Surface tension*area energy for atom 445: 2.458526722005E-01 Surface tension*area energy for atom 446: 7.979909320696E-01 Surface tension*area energy for atom 447: 2.879527828193E+00 Surface tension*area energy for atom 448: 3.714745442233E+00 Surface tension*area energy for atom 449: 1.708083871869E+01 Surface tension*area energy for atom 450: 4.308450363370E+01 Surface tension*area energy for atom 451: 0.000000000000E+00 Surface tension*area energy for atom 452: 3.849422020080E+00 Surface tension*area energy for atom 453: 6.216694864269E+00 Surface tension*area energy for atom 454: 3.139349506560E+00 Surface tension*area energy for atom 455: 1.614758121364E+01 Surface tension*area energy for atom 456: 2.570027558224E+01 Surface tension*area energy for atom 457: 1.627814711040E+01 Surface tension*area energy for atom 458: 8.964166663309E+00 Surface tension*area energy for atom 459: 3.018283348946E+01 Surface tension*area energy for atom 460: 3.321832840752E+01 Surface tension*area energy for atom 461: 0.000000000000E+00 Surface tension*area energy for atom 462: 6.387687194893E-01 Surface tension*area energy for atom 463: 5.738487567017E-01 Surface tension*area energy for atom 464: 4.349701123546E-01 Surface tension*area energy for atom 465: 9.857535043212E-01 Surface tension*area energy for atom 466: 8.697349358625E+00 Surface tension*area energy for atom 467: 2.609204807587E+01 Surface tension*area energy for atom 468: 5.465494020456E+00 Surface tension*area energy for atom 469: 1.597546552241E+01 Surface tension*area energy for atom 470: 2.375196538984E+01 Surface tension*area energy for atom 471: 0.000000000000E+00 Surface tension*area energy for atom 472: 6.891978289226E-01 Surface tension*area energy for atom 473: 3.462220832100E+00 Surface tension*area energy for atom 474: 9.455872007710E-02 Surface tension*area energy for atom 475: 2.221857104978E+00 Surface tension*area energy for atom 476: 4.897156170397E-01 Surface tension*area energy for atom 477: 0.000000000000E+00 Surface tension*area energy for atom 478: 2.311215714822E+00 Surface tension*area energy for atom 479: 6.253065429441E+00 Surface tension*area energy for atom 480: 1.986201004925E-01 Surface tension*area energy for atom 481: 1.223425844891E-01 Surface tension*area energy for atom 482: 1.083382366323E+00 Surface tension*area energy for atom 483: 6.402595254928E+00 Surface tension*area energy for atom 484: 3.051526998476E+00 Surface tension*area energy for atom 485: 4.159647872628E+00 Surface tension*area energy for atom 486: 2.870963270755E+00 Surface tension*area energy for atom 487: 1.825623232987E+01 Surface tension*area energy for atom 488: 0.000000000000E+00 Surface tension*area energy for atom 489: 1.647350908157E+00 Surface tension*area energy for atom 490: 1.333241944737E+01 Surface tension*area energy for atom 491: 4.652289027793E+00 Surface tension*area energy for atom 492: 1.758709426757E+01 Surface tension*area energy for atom 493: 0.000000000000E+00 Surface tension*area energy for atom 494: 2.168451705635E+00 Surface tension*area energy for atom 495: 7.746958215473E+00 Surface tension*area energy for atom 496: 4.066024963315E+00 Surface tension*area energy for atom 497: 1.871366970108E+01 Surface tension*area energy for atom 498: 8.834469731396E+00 Surface tension*area energy for atom 499: 2.581780733033E+01 Surface tension*area energy for atom 500: 2.791379017126E+01 Surface tension*area energy for atom 501: 9.278956135739E+00 Surface tension*area energy for atom 502: 2.465635541447E-01 Surface tension*area energy for atom 503: 1.600283739352E+01 Surface tension*area energy for atom 504: 2.595418165504E+01 Surface tension*area energy for atom 505: 0.000000000000E+00 Surface tension*area energy for atom 506: 0.000000000000E+00 Surface tension*area energy for atom 507: 0.000000000000E+00 Surface tension*area energy for atom 508: 0.000000000000E+00 Surface tension*area energy for atom 509: 0.000000000000E+00 Surface tension*area energy for atom 510: 0.000000000000E+00 Surface tension*area energy for atom 511: 6.219590163448E-01 Surface tension*area energy for atom 512: 5.508948064336E+00 Surface tension*area energy for atom 513: 3.763437059068E+00 Surface tension*area energy for atom 514: 1.675780957346E+01 Surface tension*area energy for atom 515: 9.911844088883E+00 Surface tension*area energy for atom 516: 1.318115212359E+00 Surface tension*area energy for atom 517: 2.582061306403E+00 Surface tension*area energy for atom 518: 1.155457742397E+00 Surface tension*area energy for atom 519: 4.315473092519E+00 Surface tension*area energy for atom 520: 1.517048047664E+01 Surface tension*area energy for atom 521: 7.294774599906E+00 Surface tension*area energy for atom 522: 2.623568756265E+00 Surface tension*area energy for atom 523: 7.692014800891E+00 Surface tension*area energy for atom 524: 2.043121160967E+01 Surface tension*area energy for atom 525: 9.010130013251E+00 Surface tension*area energy for atom 526: 2.086620746563E+01 Surface tension*area energy for atom 527: 0.000000000000E+00 Surface tension*area energy for atom 528: 6.555784226337E-01 Surface tension*area energy for atom 529: 2.008470648456E+00 Surface tension*area energy for atom 530: 1.872262657527E+00 Surface tension*area energy for atom 531: 5.930167906948E+00 Surface tension*area energy for atom 532: 3.235750159108E+00 Surface tension*area energy for atom 533: 0.000000000000E+00 Surface tension*area energy for atom 534: 1.176679220112E-01 Surface tension*area energy for atom 535: 2.008470648456E+00 Surface tension*area energy for atom 536: 2.250497537835E+00 Surface tension*area energy for atom 537: 2.174916461915E+00 Surface tension*area energy for atom 538: 2.783543567253E+01 Surface tension*area energy for atom 539: 8.218611826698E+00 Surface tension*area energy for atom 540: 0.000000000000E+00 Surface tension*area energy for atom 541: 0.000000000000E+00 Surface tension*area energy for atom 542: 1.496063579856E+00 Surface tension*area energy for atom 543: 3.462220832100E+00 Surface tension*area energy for atom 544: 1.985733121619E+00 Surface tension*area energy for atom 545: 1.744627233838E+01 Surface tension*area energy for atom 546: 5.994119152566E+00 Surface tension*area energy for atom 547: 3.611274554409E-02 Surface tension*area energy for atom 548: 1.173664230183E+00 Surface tension*area energy for atom 549: 6.117129224453E-01 Surface tension*area energy for atom 550: 0.000000000000E+00 Surface tension*area energy for atom 551: 0.000000000000E+00 Surface tension*area energy for atom 552: 3.195977980652E+00 Surface tension*area energy for atom 553: 4.010118047141E+00 Surface tension*area energy for atom 554: 1.805637277205E-02 Surface tension*area energy for atom 555: 5.437448199514E-02 Surface tension*area energy for atom 556: 2.744568661351E+00 Surface tension*area energy for atom 557: 1.318581188382E+00 Surface tension*area energy for atom 558: 0.000000000000E+00 Surface tension*area energy for atom 559: 1.865877049034E+00 Surface tension*area energy for atom 560: 4.189095923923E+00 Surface tension*area energy for atom 561: 1.059057664863E+00 Surface tension*area energy for atom 562: 6.352633694515E+00 Surface tension*area energy for atom 563: 2.246815250978E+01 Surface tension*area energy for atom 564: 2.088147391057E+01 Surface tension*area energy for atom 565: 9.550430727787E+00 Surface tension*area energy for atom 566: 3.051141799090E+01 Surface tension*area energy for atom 567: 1.186033581390E+01 Surface tension*area energy for atom 568: 0.000000000000E+00 Surface tension*area energy for atom 569: 5.211007974781E-01 Surface tension*area energy for atom 570: 0.000000000000E+00 Surface tension*area energy for atom 571: 1.966821377604E+00 Surface tension*area energy for atom 572: 1.955860127622E+00 Surface tension*area energy for atom 573: 1.264884153106E+01 Surface tension*area energy for atom 574: 0.000000000000E+00 Surface tension*area energy for atom 575: 2.840839831413E+00 Surface tension*area energy for atom 576: 8.033882593824E-01 Surface tension*area energy for atom 577: 2.439614977989E+00 Surface tension*area energy for atom 578: 7.025449578416E+00 Surface tension*area energy for atom 579: 1.962780193095E+01 Surface tension*area energy for atom 580: 2.760037217636E+01 Surface tension*area energy for atom 581: 8.453549574892E+00 Surface tension*area energy for atom 582: 1.412913356194E+01 Surface tension*area energy for atom 583: 3.240910766251E+01 Surface tension*area energy for atom 584: 0.000000000000E+00 Surface tension*area energy for atom 585: 0.000000000000E+00 Surface tension*area energy for atom 586: 0.000000000000E+00 Surface tension*area energy for atom 587: 2.773601018835E+00 Surface tension*area energy for atom 588: 1.616340664710E+01 Surface tension*area energy for atom 589: 6.997345285705E-01 Surface tension*area energy for atom 590: 3.583135753803E+00 Surface tension*area energy for atom 591: 0.000000000000E+00 Surface tension*area energy for atom 592: 2.521455471668E-01 Surface tension*area energy for atom 593: 1.434621891754E+00 Surface tension*area energy for atom 594: 4.160583683392E-01 Surface tension*area energy for atom 595: 8.605784561535E-01 Surface tension*area energy for atom 596: 3.667183513656E+00 Surface tension*area energy for atom 597: 0.000000000000E+00 Surface tension*area energy for atom 598: 2.857649534557E-01 Surface tension*area energy for atom 599: 1.224210680964E+00 Surface tension*area energy for atom 600: 1.853350913511E+00 Surface tension*area energy for atom 601: 1.311208629557E+01 Surface tension*area energy for atom 602: 1.273260604303E+01 Surface tension*area energy for atom 603: 2.418454063954E+00 Surface tension*area energy for atom 604: 2.043425251994E+01 Surface tension*area energy for atom 605: 1.878696152985E+01 Surface tension*area energy for atom 606: 0.000000000000E+00 Surface tension*area energy for atom 607: 3.361940628891E-01 Surface tension*area energy for atom 608: 7.823471383033E+00 Surface tension*area energy for atom 609: 2.193762305789E+00 Surface tension*area energy for atom 610: 1.411348668092E+01 Surface tension*area energy for atom 611: 3.667183513656E+01 Surface tension*area energy for atom 612: 0.000000000000E+00 Surface tension*area energy for atom 613: 1.496063579856E+00 Surface tension*area energy for atom 614: 4.514276886053E+00 Surface tension*area energy for atom 615: 2.118115329727E+00 Surface tension*area energy for atom 616: 7.979909320696E-01 Surface tension*area energy for atom 617: 1.018608483443E+00 Surface tension*area energy for atom 618: 1.607498241311E+00 Surface tension*area energy for atom 619: 5.398173952235E+00 Surface tension*area energy for atom 620: 1.680970314445E-02 Surface tension*area energy for atom 621: 0.000000000000E+00 Surface tension*area energy for atom 622: 0.000000000000E+00 Surface tension*area energy for atom 623: 0.000000000000E+00 Surface tension*area energy for atom 624: 1.680970314445E-01 Surface tension*area energy for atom 625: 1.071184345843E+00 Surface tension*area energy for atom 626: 1.569674753280E+00 Surface tension*area energy for atom 627: 7.901674915591E+00 Surface tension*area energy for atom 628: 2.786059081675E+00 Surface tension*area energy for atom 629: 6.366303021516E+00 Surface tension*area energy for atom 630: 2.610171795014E+01 Surface tension*area energy for atom 631: 4.231142931223E+00 Surface tension*area energy for atom 632: 0.000000000000E+00 Surface tension*area energy for atom 633: 3.361940628891E-01 Surface tension*area energy for atom 634: 4.858586140075E+00 Surface tension*area energy for atom 635: 5.106170884163E-01 Surface tension*area energy for atom 636: 1.885449163027E+01 Surface tension*area energy for atom 637: 3.527948203779E+01 Surface tension*area energy for atom 638: 0.000000000000E+00 Surface tension*area energy for atom 639: 3.361940628891E-02 Surface tension*area energy for atom 640: 1.970214064676E+00 Surface tension*area energy for atom 641: 1.115792896910E+00 Surface tension*area energy for atom 642: 1.251750481678E+00 Surface tension*area energy for atom 643: 1.431724805861E+00 Surface tension*area energy for atom 644: 6.883323065739E+00 Surface tension*area energy for atom 645: 3.063176817289E+01 Surface tension*area energy for atom 646: 0.000000000000E+00 Surface tension*area energy for atom 647: 9.413433760895E-01 Surface tension*area energy for atom 648: 7.651316756023E-01 Surface tension*area energy for atom 649: 1.550763009264E+00 Surface tension*area energy for atom 650: 1.017047266363E+00 Surface tension*area energy for atom 651: 2.193925964338E+00 Surface tension*area energy for atom 652: 4.633377283778E+00 Surface tension*area energy for atom 653: 9.106484754206E+00 Surface tension*area energy for atom 654: 2.143622699873E+00 Surface tension*area energy for atom 655: 0.000000000000E+00 Surface tension*area energy for atom 656: 8.068657509338E-01 Surface tension*area energy for atom 657: 2.065855524126E+00 Surface tension*area energy for atom 658: 1.512939521234E-01 Surface tension*area energy for atom 659: 1.486453696992E+00 Surface tension*area energy for atom 660: 8.070513368814E+00 Surface tension*area energy for atom 661: 5.210574165302E+00 Surface tension*area energy for atom 662: 1.982368817777E+01 Surface tension*area energy for atom 663: 3.085208387350E+01 Surface tension*area energy for atom 664: 8.707426228828E+00 Surface tension*area energy for atom 665: 0.000000000000E+00 Surface tension*area energy for atom 666: 0.000000000000E+00 Surface tension*area energy for atom 667: 0.000000000000E+00 Surface tension*area energy for atom 668: 0.000000000000E+00 Surface tension*area energy for atom 669: 1.059011298101E+00 Surface tension*area energy for atom 670: 5.336793437326E+00 Surface tension*area energy for atom 671: 1.418380801156E+00 Surface tension*area energy for atom 672: 7.181918388626E+00 Surface tension*area energy for atom 673: 2.976890146379E+01 Surface tension*area energy for atom 674: 0.000000000000E+00 Surface tension*area energy for atom 675: 0.000000000000E+00 Surface tension*area energy for atom 676: 1.568519934985E+00 Surface tension*area energy for atom 677: 2.571997186097E+00 Surface tension*area energy for atom 678: 3.614429515845E+00 Surface tension*area energy for atom 679: 2.957882326920E+00 Surface tension*area energy for atom 680: 9.455872007710E-02 Surface tension*area energy for atom 681: 4.928767521606E+00 Surface tension*area energy for atom 682: 1.114483318477E+01 Surface tension*area energy for atom 683: 0.000000000000E+00 Surface tension*area energy for atom 684: 0.000000000000E+00 Surface tension*area energy for atom 685: 0.000000000000E+00 Surface tension*area energy for atom 686: 1.344776251556E-01 Surface tension*area energy for atom 687: 3.079654994299E+00 Surface tension*area energy for atom 688: 1.248175105018E+00 Surface tension*area energy for atom 689: 6.258752408389E-01 Surface tension*area energy for atom 690: 4.348674679312E+00 Surface tension*area energy for atom 691: 5.668856325908E+00 Surface tension*area energy for atom 692: 1.784565239266E+00 Surface tension*area energy for atom 693: 1.882618274390E+00 Surface tension*area energy for atom 694: 0.000000000000E+00 Surface tension*area energy for atom 695: 1.126250110678E+00 Surface tension*area energy for atom 696: 6.714030453410E+00 Surface tension*area energy for atom 697: 3.782348803084E+00 Surface tension*area energy for atom 698: 7.823440510486E+00 Surface tension*area energy for atom 699: 1.808030058110E+01 Surface tension*area energy for atom 700: 9.461305721206E+00 Surface tension*area energy for atom 701: 8.548108294970E+00 Surface tension*area energy for atom 702: 3.109035258867E+01 Surface tension*area energy for atom 703: 6.039696074095E+00 Surface tension*area energy for atom 704: 0.000000000000E+00 Surface tension*area energy for atom 705: 4.034328754669E-01 Surface tension*area energy for atom 706: 4.189095923923E+00 Surface tension*area energy for atom 707: 2.950232066405E+00 Surface tension*area energy for atom 708: 5.413820833256E+00 Surface tension*area energy for atom 709: 2.186282473814E+00 Surface tension*area energy for atom 710: 8.775703857351E+00 Surface tension*area energy for atom 711: 2.329740114558E+01 Surface tension*area energy for atom 712: 1.739469871725E+01 Surface tension*area energy for atom 713: 0.000000000000E+00 Surface tension*area energy for atom 714: 5.883396100559E-01 Surface tension*area energy for atom 715: 3.443092540210E-01 Surface tension*area energy for atom 716: 1.134704640925E-01 Surface tension*area energy for atom 717: 3.567488872782E+00 Surface tension*area energy for atom 718: 3.800193188228E+00 Surface tension*area energy for atom 719: 2.677960864608E+00 Surface tension*area energy for atom 720: 1.336171585131E+01 Surface tension*area energy for atom 721: 6.561004118290E+00 Surface tension*area energy for atom 722: 0.000000000000E+00 Surface tension*area energy for atom 723: 6.219590163448E-01 Surface tension*area energy for atom 724: 8.225165512725E-01 Surface tension*area energy for atom 725: 1.059057664863E+00 Surface tension*area energy for atom 726: 7.979909320696E-01 Surface tension*area energy for atom 727: 8.416220142559E+00 Surface tension*area energy for atom 728: 3.409678487789E+00 Surface tension*area energy for atom 729: 1.715928114679E+01 Surface tension*area energy for atom 730: 0.000000000000E+00 Surface tension*area energy for atom 731: 0.000000000000E+00 Surface tension*area energy for atom 732: 8.236754540783E-01 Surface tension*area energy for atom 733: 7.651316756023E-01 Surface tension*area energy for atom 734: 1.777703937449E+00 Surface tension*area energy for atom 735: 2.697522288016E+01 Surface tension*area energy for atom 736: 1.132222506596E+01 Surface tension*area energy for atom 737: 7.228202507506E+00 Surface tension*area energy for atom 738: 1.768852808747E+01 Surface tension*area energy for atom 739: 2.090106253525E+01 Surface tension*area energy for atom 740: 2.970274545625E+01 Surface tension*area energy for atom 741: 0.000000000000E+00 Surface tension*area energy for atom 742: 0.000000000000E+00 Surface tension*area energy for atom 743: 0.000000000000E+00 Surface tension*area energy for atom 744: 0.000000000000E+00 Surface tension*area energy for atom 745: 4.151996676680E+00 Surface tension*area energy for atom 746: 7.249622626332E+00 Surface tension*area energy for atom 747: 1.947909633588E+00 Surface tension*area energy for atom 748: 1.416042732398E+01 Surface tension*area energy for atom 749: 2.129283502888E+01 Surface tension*area energy for atom 750: 2.997059576283E+00 Surface tension*area energy for atom 751: 1.588637461677E+01 Surface tension*area energy for atom 752: 8.875523260272E+00 Surface tension*area energy for atom 753: 2.595405833102E-02 Surface tension*area energy for atom 754: 5.429534115659E+00 Surface tension*area energy for atom 755: 1.596921798723E+00 Surface tension*area energy for atom 756: 0.000000000000E+00 Surface tension*area energy for atom 757: 0.000000000000E+00 Surface tension*area energy for atom 758: 0.000000000000E+00 Surface tension*area energy for atom 759: 0.000000000000E+00 Surface tension*area energy for atom 760: 0.000000000000E+00 Surface tension*area energy for atom 761: 0.000000000000E+00 Surface tension*area energy for atom 762: 7.900560477894E-01 Surface tension*area energy for atom 763: 1.377237016084E+00 Surface tension*area energy for atom 764: 2.855673346328E+00 Surface tension*area energy for atom 765: 2.178045838119E+01 Surface tension*area energy for atom 766: 5.269340039347E+00 Surface tension*area energy for atom 767: 5.307518400803E-01 Surface tension*area energy for atom 768: 0.000000000000E+00 Surface tension*area energy for atom 769: 0.000000000000E+00 Surface tension*area energy for atom 770: 1.210298626401E+00 Surface tension*area energy for atom 771: 4.590790053614E+00 Surface tension*area energy for atom 772: 8.321167366784E-01 Surface tension*area energy for atom 773: 1.760274114859E+01 Surface tension*area energy for atom 774: 1.737511009257E+01 Surface tension*area energy for atom 775: 6.354345989181E+00 Surface tension*area energy for atom 776: 3.134070268501E+01 Surface tension*area energy for atom 777: 2.899673792418E+01 Surface tension*area energy for atom 778: 0.000000000000E+00 Surface tension*area energy for atom 779: 0.000000000000E+00 Surface tension*area energy for atom 780: 0.000000000000E+00 Surface tension*area energy for atom 781: 6.723881257782E-02 Surface tension*area energy for atom 782: 9.181580107227E-01 Surface tension*area energy for atom 783: 1.872262657527E+00 Surface tension*area energy for atom 784: 1.198551086206E+01 Surface tension*area energy for atom 785: 1.480900025928E+01 Surface tension*area energy for atom 786: 2.726512288579E+00 Surface tension*area energy for atom 787: 3.827951027674E+00 Surface tension*area energy for atom 788: 1.178566897245E+01 Surface tension*area energy for atom 789: 4.821051530136E+00 Surface tension*area energy for atom 790: 1.560547633260E+01 Surface tension*area energy for atom 791: 3.665443672725E+00 Surface tension*area energy for atom 792: 1.290034585335E+01 Surface tension*area energy for atom 793: 6.753083416745E+00 Surface tension*area energy for atom 794: 2.090698832713E+01 Surface tension*area energy for atom 795: 4.116852992026E+00 Surface tension*area energy for atom 796: 2.177690883239E+01 Surface tension*area energy for atom 797: 0.000000000000E+00 Surface tension*area energy for atom 798: 0.000000000000E+00 Surface tension*area energy for atom 799: 9.413433760895E-01 Surface tension*area energy for atom 800: 5.355921729216E-01 Surface tension*area energy for atom 801: 7.564697606168E-02 Surface tension*area energy for atom 802: 0.000000000000E+00 Surface tension*area energy for atom 803: 9.228820708047E+00 Surface tension*area energy for atom 804: 8.733280277685E+00 Surface tension*area energy for atom 805: 4.771260689158E+01 Surface tension*area energy for atom 806: 0.000000000000E+00 Surface tension*area energy for atom 807: 0.000000000000E+00 Surface tension*area energy for atom 808: 0.000000000000E+00 Surface tension*area energy for atom 809: 8.607731350526E-01 Surface tension*area energy for atom 810: 1.702056961388E-01 Surface tension*area energy for atom 811: 1.788438500697E+01 Surface tension*area energy for atom 812: 1.523995000227E+01 Surface tension*area energy for atom 813: 2.697353618655E+01 Surface tension*area energy for atom 814: 1.119005075568E+01 Surface tension*area energy for atom 815: 1.143059813823E+00 Surface tension*area energy for atom 816: 8.492961599185E+00 Surface tension*area energy for atom 817: 2.288321025866E+00 Surface tension*area energy for atom 818: 1.843202584271E+01 Surface tension*area energy for atom 819: 3.018230671814E+00 Surface tension*area energy for atom 820: 2.107736015739E+01 Surface tension*area energy for atom 821: 2.827849532990E+01 Surface tension*area energy for atom 822: 3.000977301219E+01 Surface tension*area energy for atom 823: 7.553842362641E+01 Surface tension*area energy for atom 824: 0.000000000000E+00 Surface tension*area energy for atom 825: 1.691056136332E+01 Surface tension*area energy for atom 826: 2.295395026807E+00 Surface tension*area energy for atom 827: 1.323822081079E+00 Surface tension*area energy for atom 828: 2.550441606418E+00 Surface tension*area energy for atom 829: 4.466206427402E+00 Surface tension*area energy for atom 830: 1.764935083811E+01 Surface tension*area energy for atom 831: 2.334964062045E+01 Surface tension*area energy for atom 832: 1.087587793446E+01 Surface tension*area energy for atom 833: 1.116024508234E+00 Surface tension*area energy for atom 834: 1.008582188667E+01 Surface tension*area energy for atom 835: 2.872778267387E+01 Surface tension*area energy for atom 836: 0.000000000000E+00 Surface tension*area energy for atom 837: 0.000000000000E+00 Surface tension*area energy for atom 838: 0.000000000000E+00 Surface tension*area energy for atom 839: 0.000000000000E+00 Surface tension*area energy for atom 840: 0.000000000000E+00 Surface tension*area energy for atom 841: 0.000000000000E+00 Surface tension*area energy for atom 842: 0.000000000000E+00 Surface tension*area energy for atom 843: 0.000000000000E+00 Surface tension*area energy for atom 844: 1.613731501868E+00 Surface tension*area energy for atom 845: 2.180625275467E+00 Surface tension*area energy for atom 846: 1.153616384941E+00 Surface tension*area energy for atom 847: 3.442313824614E-01 Surface tension*area energy for atom 848: 6.287948522789E+00 Surface tension*area energy for atom 849: 0.000000000000E+00 Surface tension*area energy for atom 850: 1.805637277205E-02 Surface tension*area energy for atom 851: 4.214022354623E-01 Surface tension*area energy for atom 852: 2.076482868785E+00 Surface tension*area energy for atom 853: 1.579578701959E+01 Surface tension*area energy for atom 854: 2.889019643527E-01 Surface tension*area energy for atom 855: 1.400142911375E+00 Surface tension*area energy for atom 856: 2.798737779667E+00 Surface tension*area energy for atom 857: 2.248384830499E+01 Surface tension*area energy for atom 858: 6.933647144466E+00 Surface tension*area energy for atom 859: 1.060302398905E+01 Surface tension*area energy for atom 860: 0.000000000000E+00 Surface tension*area energy for atom 861: 2.689552503113E+00 Surface tension*area energy for atom 862: 7.651316756023E-02 Surface tension*area energy for atom 863: 2.647644162159E-01 Surface tension*area energy for atom 864: 3.035494918069E+00 Surface tension*area energy for atom 865: 2.761996080104E+00 Surface tension*area energy for atom 866: 2.360411166419E+00 Surface tension*area energy for atom 867: 1.286455820833E+01 Surface tension*area energy for atom 868: 2.470936485137E+01 Surface tension*area energy for atom 869: 0.000000000000E+00 Surface tension*area energy for atom 870: 0.000000000000E+00 Surface tension*area energy for atom 871: 8.033882593824E-01 Surface tension*area energy for atom 872: 5.295288324317E-01 Surface tension*area energy for atom 873: 7.666971700276E-01 Surface tension*area energy for atom 874: 2.272280463064E+00 Surface tension*area energy for atom 875: 0.000000000000E+00 Surface tension*area energy for atom 876: 1.065325993551E+00 Surface tension*area energy for atom 877: 4.078086149635E+00 Surface tension*area energy for atom 878: 2.419553951454E+00 Surface tension*area energy for atom 879: 9.043620291717E+00 Surface tension*area energy for atom 880: 1.588960803940E+00 Surface tension*area energy for atom 881: 2.780681406895E+00 Surface tension*area energy for atom 882: 6.389001634429E-01 Surface tension*area energy for atom 883: 1.841750022749E+00 Surface tension*area energy for atom 884: 7.585240238322E+00 Surface tension*area energy for atom 885: 3.430710826689E-01 Surface tension*area energy for atom 886: 7.748363684307E-01 Surface tension*area energy for atom 887: 1.480622567308E+00 Surface tension*area energy for atom 888: 5.328699235524E+00 Surface tension*area energy for atom 889: 0.000000000000E+00 Surface tension*area energy for atom 890: 0.000000000000E+00 Surface tension*area energy for atom 891: 1.311156845267E+00 Surface tension*area energy for atom 892: 1.492006767424E+00 Surface tension*area energy for atom 893: 2.326144513897E+00 Surface tension*area energy for atom 894: 1.517747459034E+00 Surface tension*area energy for atom 895: 3.623895566094E+00 Surface tension*area energy for atom 896: 1.051909145401E+01 Surface tension*area energy for atom 897: 8.491373062923E+00 Surface tension*area energy for atom 898: 1.322161446272E+01 Surface tension*area energy for atom 899: 2.334867766765E+01 Surface tension*area energy for atom 900: 0.000000000000E+00 Surface tension*area energy for atom 901: 0.000000000000E+00 Surface tension*area energy for atom 902: 0.000000000000E+00 Surface tension*area energy for atom 903: 1.025391891812E+00 Surface tension*area energy for atom 904: 5.164638810315E-01 Surface tension*area energy for atom 905: 1.456204289187E+00 Surface tension*area energy for atom 906: 6.211811765326E+00 Surface tension*area energy for atom 907: 1.269342879367E+01 Surface tension*area energy for atom 908: 3.618007279675E+00 Surface tension*area energy for atom 909: 1.621797200959E+01 Surface tension*area energy for atom 910: 9.079711052527E+00 Surface tension*area energy for atom 911: 0.000000000000E+00 Surface tension*area energy for atom 912: 0.000000000000E+00 Surface tension*area energy for atom 913: 1.606776518765E+00 Surface tension*area energy for atom 914: 3.158261250575E+00 Surface tension*area energy for atom 915: 4.396773566893E+00 Surface tension*area energy for atom 916: 6.307537147471E+00 Surface tension*area energy for atom 917: 7.404500129640E+00 Surface tension*area energy for atom 918: 1.682662860148E+01 Surface tension*area energy for atom 919: 1.802153470706E+01 Surface tension*area energy for atom 920: 3.222420092792E+01 Surface tension*area energy for atom 921: 0.000000000000E+00 Surface tension*area energy for atom 922: 0.000000000000E+00 Surface tension*area energy for atom 923: 0.000000000000E+00 Surface tension*area energy for atom 924: 0.000000000000E+00 Surface tension*area energy for atom 925: 3.193843597446E-01 Surface tension*area energy for atom 926: 3.825658378011E-02 Surface tension*area energy for atom 927: 2.534173698066E+00 Surface tension*area energy for atom 928: 2.503500963356E+00 Surface tension*area energy for atom 929: 8.423108613082E-01 Surface tension*area energy for atom 930: 4.875220648452E-01 Surface tension*area energy for atom 931: 1.697299040572E+00 Surface tension*area energy for atom 932: 2.745911340755E+00 Surface tension*area energy for atom 933: 1.137551484639E+00 Surface tension*area energy for atom 934: 2.324509105292E+00 Surface tension*area energy for atom 935: 1.336171585131E+00 Surface tension*area energy for atom 936: 1.359362049878E-02 Surface tension*area energy for atom 937: 1.552848058396E+00 Surface tension*area energy for atom 938: 1.087489639903E-01 Surface tension*area energy for atom 939: 1.986201004925E+00 Surface tension*area energy for atom 940: 3.520747709185E+00 Surface tension*area energy for atom 941: 0.000000000000E+00 Surface tension*area energy for atom 942: 1.798638236457E+00 Surface tension*area energy for atom 943: 3.060526702409E-01 Surface tension*area energy for atom 944: 3.631054850960E+00 Surface tension*area energy for atom 945: 0.000000000000E+00 Surface tension*area energy for atom 946: 4.622915424854E+00 Surface tension*area energy for atom 947: 6.620955142376E+00 Surface tension*area energy for atom 948: 1.702056961388E-01 Surface tension*area energy for atom 949: 1.564688102097E+00 Surface tension*area energy for atom 950: 1.800956005514E+01 Surface tension*area energy for atom 951: 0.000000000000E+00 Surface tension*area energy for atom 952: 1.832257642746E+00 Surface tension*area energy for atom 953: 6.886185080421E-01 Surface tension*area energy for atom 954: 6.997345285705E-01 Surface tension*area energy for atom 955: 0.000000000000E+00 Surface tension*area energy for atom 956: 2.180625275467E+00 Surface tension*area energy for atom 957: 9.064299131567E+00 Surface tension*area energy for atom 958: 0.000000000000E+00 Surface tension*area energy for atom 959: 1.680970314445E-02 Surface tension*area energy for atom 960: 2.601447697048E+00 Surface tension*area energy for atom 961: 9.455872007710E-01 Surface tension*area energy for atom 962: 1.189162957594E+00 Surface tension*area energy for atom 963: 1.130263644128E+01 Surface tension*area energy for atom 964: 3.502936317777E+00 Surface tension*area energy for atom 965: 9.615150198628E+00 Surface tension*area energy for atom 966: 3.412654453917E+00 Surface tension*area energy for atom 967: 3.479966847689E+00 Surface tension*area energy for atom 968: 3.358485335600E+00 Surface tension*area energy for atom 969: 1.812029612488E+01 Surface tension*area energy for atom 970: 1.798638236457E+00 Surface tension*area energy for atom 971: 0.000000000000E+00 Surface tension*area energy for atom 972: 0.000000000000E+00 Surface tension*area energy for atom 973: 0.000000000000E+00 Surface tension*area energy for atom 974: 1.445634470423E+00 Surface tension*area energy for atom 975: 7.460033837122E-01 Surface tension*area energy for atom 976: 3.290643458683E+00 Surface tension*area energy for atom 977: 1.838508519964E+01 Surface tension*area energy for atom 978: 4.035256684407E+00 Surface tension*area energy for atom 979: 1.625073549484E-01 Surface tension*area energy for atom 980: 1.986201004925E+00 Surface tension*area energy for atom 981: 3.969337185645E+00 Surface tension*area energy for atom 982: 2.166764732645E-01 Surface tension*area energy for atom 983: 3.887775462652E+00 Surface tension*area energy for atom 984: 1.697299040572E+00 Surface tension*area energy for atom 985: 1.359362049878E+00 Surface tension*area energy for atom 986: 3.611274554409E-01 Surface tension*area energy for atom 987: 1.332174808881E+00 Surface tension*area energy for atom 988: 1.444509821764E-01 Surface tension*area energy for atom 989: 2.582787894769E+00 Surface tension*area energy for atom 990: 0.000000000000E+00 Surface tension*area energy for atom 991: 0.000000000000E+00 Surface tension*area energy for atom 992: 7.536547004683E+00 Surface tension*area energy for atom 993: 2.080291841696E+00 Surface tension*area energy for atom 994: 1.611628745160E+00 Surface tension*area energy for atom 995: 9.931432713565E+00 Surface tension*area energy for atom 996: 2.708455915807E-01 Surface tension*area energy for atom 997: 8.305931475141E-01 Surface tension*area energy for atom 998: 9.651470554137E-01 Surface tension*area energy for atom 999: 6.157223115268E+00 Surface tension*area energy for atom 1000: 2.002340299471E+01 Surface tension*area energy for atom 1001: 2.816794152439E+00 Surface tension*area energy for atom 1002: 3.371217883699E+00 Surface tension*area energy for atom 1003: 5.687757423194E+00 Surface tension*area energy for atom 1004: 2.177698003905E+01 Surface tension*area energy for atom 1005: 3.430710826689E+00 Surface tension*area energy for atom 1006: 1.723671079246E+01 Surface tension*area energy for atom 1007: 0.000000000000E+00 Surface tension*area energy for atom 1008: 9.984963667806E+00 Surface tension*area energy for atom 1009: 6.580132410180E+00 Surface tension*area energy for atom 1010: 3.423025666791E+00 Surface tension*area energy for atom 1011: 1.096846359570E+01 Surface tension*area energy for atom 1012: 1.036238245656E+01 Surface tension*area energy for atom 1013: 6.373257733196E+00 Surface tension*area energy for atom 1014: 3.099647130255E+01 Surface tension*area energy for atom 1015: 2.612227868648E+01 Surface tension*area energy for atom 1016: 0.000000000000E+00 Surface tension*area energy for atom 1017: 0.000000000000E+00 Surface tension*area energy for atom 1018: 0.000000000000E+00 Surface tension*area energy for atom 1019: 6.572593929482E+00 Surface tension*area energy for atom 1020: 2.077332499260E+01 Surface tension*area energy for atom 1021: 1.323822081079E-01 Surface tension*area energy for atom 1022: 8.136378130905E-01 Surface tension*area energy for atom 1023: 0.000000000000E+00 Surface tension*area energy for atom 1024: 9.917724855228E-01 Surface tension*area energy for atom 1025: 1.874572605226E+00 Surface tension*area energy for atom 1026: 2.155938817758E+00 Surface tension*area energy for atom 1027: 8.136378130905E+00 Surface tension*area energy for atom 1028: 4.662779435303E+00 Surface tension*area energy for atom 1029: 7.687859986618E+00 Surface tension*area energy for atom 1030: 4.102538989609E+01 Surface tension*area energy for atom 1031: 0.000000000000E+00 Surface tension*area energy for atom 1032: 0.000000000000E+00 Surface tension*area energy for atom 1033: 5.379105006226E-01 Surface tension*area energy for atom 1034: 2.429293070037E+00 Surface tension*area energy for atom 1035: 6.184140293042E+00 Surface tension*area energy for atom 1036: 3.245163123750E+01 Surface tension*area energy for atom 1037: 1.089127532296E+01 Surface tension*area energy for atom 1038: 8.305576864993E+00 Surface tension*area energy for atom 1039: 7.999667718522E+00 Surface tension*area energy for atom 1040: 2.697522288016E+01 Surface tension*area energy for atom 1041: 3.227951554627E+01 Surface tension*area energy for atom 1042: 0.000000000000E+00 Surface tension*area energy for atom 1043: 1.462444173568E+00 Surface tension*area energy for atom 1044: 5.317665145436E+00 Surface tension*area energy for atom 1045: 5.106170884163E-01 Surface tension*area energy for atom 1046: 2.597382249481E+00 Surface tension*area energy for atom 1047: 6.875607263237E+00 Surface tension*area energy for atom 1048: 1.761017358875E+01 Surface tension*area energy for atom 1049: 2.544562346138E+01 Surface tension*area energy for atom 1050: 6.673452148349E+00 Surface tension*area energy for atom 1051: 3.244257291377E-01 Surface tension*area energy for atom 1052: 2.951783872166E+01 Surface tension*area energy for atom 1053: 2.375211054311E+01 Surface tension*area energy for atom 1054: 0.000000000000E+00 Surface tension*area energy for atom 1055: 0.000000000000E+00 Surface tension*area energy for atom 1056: 0.000000000000E+00 Surface tension*area energy for atom 1057: 0.000000000000E+00 Surface tension*area energy for atom 1058: 0.000000000000E+00 Surface tension*area energy for atom 1059: 0.000000000000E+00 Surface tension*area energy for atom 1060: 4.303284004980E+00 Surface tension*area energy for atom 1061: 4.782072972514E-01 Surface tension*area energy for atom 1062: 2.363968001927E+00 Surface tension*area energy for atom 1063: 2.321997143512E+01 Surface tension*area energy for atom 1064: 1.431724805861E+00 Surface tension*area energy for atom 1065: 3.961342619029E+00 Surface tension*area energy for atom 1066: 4.784988114075E+00 Surface tension*area energy for atom 1067: 0.000000000000E+00 Surface tension*area energy for atom 1068: 1.176679220112E-01 Surface tension*area energy for atom 1069: 4.495148594163E+00 Surface tension*area energy for atom 1070: 2.590908930112E+00 Surface tension*area energy for atom 1071: 1.564688102097E-01 Surface tension*area energy for atom 1072: 4.740447172944E+00 Surface tension*area energy for atom 1073: 6.562189268332E+00 Surface tension*area energy for atom 1074: 1.165523168554E+01 Surface tension*area energy for atom 1075: 1.628860234698E+01 Surface tension*area energy for atom 1076: 4.671730499583E-01 Surface tension*area energy for atom 1077: 1.097673615333E+01 Surface tension*area energy for atom 1078: 1.027072862126E+01 Surface tension*area energy for atom 1079: 0.000000000000E+00 Surface tension*area energy for atom 1080: 0.000000000000E+00 Surface tension*area energy for atom 1081: 0.000000000000E+00 Surface tension*area energy for atom 1082: 0.000000000000E+00 Surface tension*area energy for atom 1083: 0.000000000000E+00 Surface tension*area energy for atom 1084: 0.000000000000E+00 Surface tension*area energy for atom 1085: 2.992127159713E+00 Surface tension*area energy for atom 1086: 1.185954097184E+00 Surface tension*area energy for atom 1087: 1.891174401542E+00 Surface tension*area energy for atom 1088: 4.568889258124E+00 Surface tension*area energy for atom 1089: 1.002937583697E+01 Surface tension*area energy for atom 1090: 2.515192226512E-01 Surface tension*area energy for atom 1091: 7.805021595909E+00 Surface tension*area energy for atom 1092: 1.815942210505E+01 Surface tension*area energy for atom 1093: 0.000000000000E+00 Surface tension*area energy for atom 1094: 8.404851572227E-02 Surface tension*area energy for atom 1095: 1.377237016084E+00 Surface tension*area energy for atom 1096: 1.153616384941E+00 Surface tension*area energy for atom 1097: 7.354034079857E-01 Surface tension*area energy for atom 1098: 3.937313560999E+00 Surface tension*area energy for atom 1099: 2.805406714186E+00 Surface tension*area energy for atom 1100: 7.177482171112E+00 Surface tension*area energy for atom 1101: 1.762993571538E+01 Surface tension*area energy for atom 1102: 0.000000000000E+00 Surface tension*area energy for atom 1103: 8.741045635116E-01 Surface tension*area energy for atom 1104: 4.590790053614E-01 Surface tension*area energy for atom 1105: 2.080291841696E+00 Surface tension*area energy for atom 1106: 2.300091510083E+00 Surface tension*area energy for atom 1107: 1.077374357487E+00 Surface tension*area energy for atom 1108: 1.279137191708E+01 Surface tension*area energy for atom 1109: 2.042468353665E+00 Surface tension*area energy for atom 1110: 5.085236331816E+00 Surface tension*area energy for atom 1111: 5.867580382865E+00 Surface tension*area energy for atom 1112: 0.000000000000E+00 Surface tension*area energy for atom 1113: 2.370168143368E+00 Surface tension*area energy for atom 1114: 2.448421361927E+00 Surface tension*area energy for atom 1115: 1.077969408879E+00 Surface tension*area energy for atom 1116: 9.388128612583E-02 Surface tension*area energy for atom 1117: 4.191965681860E+00 Surface tension*area energy for atom 1118: 4.250731555904E+00 Surface tension*area energy for atom 1119: 6.620955142376E+00 Surface tension*area energy for atom 1120: 3.899851129513E+00 Surface tension*area energy for atom 1121: 7.915987790960E-01 Surface tension*area energy for atom 1122: 8.606568009961E+00 Surface tension*area energy for atom 1123: 3.493056313418E+01 Surface tension*area energy for atom 1124: 0.000000000000E+00 Surface tension*area energy for atom 1125: 0.000000000000E+00 Surface tension*area energy for atom 1126: 0.000000000000E+00 Surface tension*area energy for atom 1127: 0.000000000000E+00 Surface tension*area energy for atom 1128: 0.000000000000E+00 Surface tension*area energy for atom 1129: 0.000000000000E+00 Surface tension*area energy for atom 1130: 1.983544971046E+00 Surface tension*area energy for atom 1131: 1.319852140414E+00 Surface tension*area energy for atom 1132: 6.808227845551E-01 Surface tension*area energy for atom 1133: 9.544597422793E-01 Surface tension*area energy for atom 1134: 1.664161394435E+00 Surface tension*area energy for atom 1135: 1.334365947854E+01 Surface tension*area energy for atom 1136: 0.000000000000E+00 Surface tension*area energy for atom 1137: 0.000000000000E+00 Surface tension*area energy for atom 1138: 3.361940628891E-02 Surface tension*area energy for atom 1139: 9.564145945029E-02 Surface tension*area energy for atom 1140: 2.269409281850E+00 Surface tension*area energy for atom 1141: 2.456560320293E+00 Surface tension*area energy for atom 1142: 1.218900848233E+00 Surface tension*area energy for atom 1143: 2.162584164847E+01 Surface tension*area energy for atom 1144: 1.309988549263E+01 Surface tension*area energy for atom 1145: 7.247791132187E+00 Surface tension*area energy for atom 1146: 0.000000000000E+00 Surface tension*area energy for atom 1147: 1.546492689290E+00 Surface tension*area energy for atom 1148: 1.262467264744E+00 Surface tension*area energy for atom 1149: 7.564697606168E-02 Surface tension*area energy for atom 1150: 7.338387198836E+00 Surface tension*area energy for atom 1151: 6.209594024063E+00 Surface tension*area energy for atom 1152: 0.000000000000E+00 Surface tension*area energy for atom 1153: 1.751468158888E+00 Surface tension*area energy for atom 1154: 1.495298254866E-01 Surface tension*area energy for atom 1155: 4.550205938556E+00 Surface tension*area energy for atom 1156: 1.242456913589E+01 Surface tension*area energy for atom 1157: 0.000000000000E+00 Surface tension*area energy for atom 1158: 6.932746454380E-01 Surface tension*area energy for atom 1159: 1.155607857411E+00 Surface tension*area energy for atom 1160: 5.097607687044E+00 Surface tension*area energy for atom 1161: 9.028186386023E-02 Surface tension*area energy for atom 1162: 3.538345600536E-01 Surface tension*area energy for atom 1163: 0.000000000000E+00 Surface tension*area energy for atom 1164: 0.000000000000E+00 Surface tension*area energy for atom 1165: 2.420597252801E+00 Surface tension*area energy for atom 1166: 5.738487567017E-01 Surface tension*area energy for atom 1167: 1.834439169496E+00 Surface tension*area energy for atom 1168: 1.376925529846E+01 Surface tension*area energy for atom 1169: 6.660132391740E+00 Surface tension*area energy for atom 1170: 1.134704640925E-01 Surface tension*area energy for atom 1171: 2.957260512964E+00 Surface tension*area energy for atom 1172: 4.454571333281E+00 Surface tension*area energy for atom 1173: 0.000000000000E+00 Surface tension*area energy for atom 1174: 0.000000000000E+00 Surface tension*area energy for atom 1175: 0.000000000000E+00 Surface tension*area energy for atom 1176: 5.832966991126E+00 Surface tension*area energy for atom 1177: 1.778931145775E+00 Surface tension*area energy for atom 1178: 1.853350913511E+00 Surface tension*area energy for atom 1179: 2.185869278630E+01 Surface tension*area energy for atom 1180: 1.657197648062E+01 Surface tension*area energy for atom 1181: 2.276198188000E+01 Surface tension*area energy for atom 1182: 8.264432134738E+00 Surface tension*area energy for atom 1183: 2.742898242976E+01 Surface tension*area energy for atom 1184: 3.439265263355E+01 Surface tension*area energy for atom 1185: 0.000000000000E+00 Surface tension*area energy for atom 1186: 0.000000000000E+00 Surface tension*area energy for atom 1187: 0.000000000000E+00 Surface tension*area energy for atom 1188: 7.060075320671E-01 Surface tension*area energy for atom 1189: 1.281595556634E+00 Surface tension*area energy for atom 1190: 3.214996482621E-01 Surface tension*area energy for atom 1191: 2.159269580894E+00 Surface tension*area energy for atom 1192: 1.398627802265E+01 Surface tension*area energy for atom 1193: 2.227226626296E+01 Surface tension*area energy for atom 1194: 6.732580869489E+00 Surface tension*area energy for atom 1195: 2.545747542112E+01 Surface tension*area energy for atom 1196: 3.091823689744E+01 Surface tension*area energy for atom 1197: 0.000000000000E+00 Surface tension*area energy for atom 1198: 6.236399866593E+00 Surface tension*area energy for atom 1199: 2.677960864608E-01 Surface tension*area energy for atom 1200: 1.040145920848E+00 Surface tension*area energy for atom 1201: 6.274399289410E+00 Surface tension*area energy for atom 1202: 1.214494730258E+01 Surface tension*area energy for atom 1203: 6.385891646197E+00 Surface tension*area energy for atom 1204: 3.668878338991E+00 Surface tension*area energy for atom 1205: 1.904225420252E+01 Surface tension*area energy for atom 1206: 2.988554275006E+00 Surface tension*area energy for atom 1207: 0.000000000000E+00 Surface tension*area energy for atom 1208: 4.202425786114E-01 Surface tension*area energy for atom 1209: 7.651316756023E-02 Surface tension*area energy for atom 1210: 4.160583683392E-01 Surface tension*area energy for atom 1211: 5.476408357340E-01 Surface tension*area energy for atom 1212: 8.423108613082E+00 Surface tension*area energy for atom 1213: 5.420102124457E+00 Surface tension*area energy for atom 1214: 0.000000000000E+00 Surface tension*area energy for atom 1215: 0.000000000000E+00 Surface tension*area energy for atom 1216: 4.202425786114E-01 Surface tension*area energy for atom 1217: 1.147697513403E+00 Surface tension*area energy for atom 1218: 3.214996482621E+00 Surface tension*area energy for atom 1219: 4.787945592417E+00 Surface tension*area energy for atom 1220: 2.902144876744E-01 Surface tension*area energy for atom 1221: 1.225662939056E+01 Surface tension*area energy for atom 1222: 2.823927411585E+00 Surface tension*area energy for atom 1223: 0.000000000000E+00 Surface tension*area energy for atom 1224: 1.243918032690E+00 Surface tension*area energy for atom 1225: 2.773602324058E+00 Surface tension*area energy for atom 1226: 1.153616384941E+00 Surface tension*area energy for atom 1227: 1.392572410867E+00 Surface tension*area energy for atom 1228: 3.741427314183E+00 Surface tension*area energy for atom 1229: 8.618994859898E+00 Surface tension*area energy for atom 1230: 8.991178728848E+00 Surface tension*area energy for atom 1231: 3.126604784869E+00 Surface tension*area energy for atom 1232: 3.893108749652E-02 Surface tension*area energy for atom 1233: 9.514291979761E+00 Surface tension*area energy for atom 1234: 3.069451794177E+01 Surface tension*area energy for atom 1235: 0.000000000000E+00 Surface tension*area energy for atom 1236: 0.000000000000E+00 Surface tension*area energy for atom 1237: 0.000000000000E+00 Surface tension*area energy for atom 1238: 0.000000000000E+00 Surface tension*area energy for atom 1239: 0.000000000000E+00 Surface tension*area energy for atom 1240: 0.000000000000E+00 Surface tension*area energy for atom 1241: 2.739981612546E+00 Surface tension*area energy for atom 1242: 1.166825805293E+00 Surface tension*area energy for atom 1243: 1.512939521234E+00 Surface tension*area energy for atom 1244: 2.456560320293E+00 Surface tension*area energy for atom 1245: 4.309497429949E-01 Surface tension*area energy for atom 1246: 5.416911831614E-02 Surface tension*area energy for atom 1247: 5.416911831614E-02 Surface tension*area energy for atom 1248: 7.476491274332E-01 Surface tension*area energy for atom 1249: 2.166764732645E+00 Surface tension*area energy for atom 1250: 3.846994601156E+00 Surface tension*area energy for atom 1251: 6.319730470216E-01 Surface tension*area energy for atom 1252: 2.664349617762E+00 Surface tension*area energy for atom 1253: 9.028186386023E-02 Surface tension*area energy for atom 1254: 1.971074972324E+00 Surface tension*area energy for atom 1255: 4.514093193011E-01 Surface tension*area energy for atom 1256: 3.316843401703E+00 Surface tension*area energy for atom 1257: 0.000000000000E+00 Surface tension*area energy for atom 1258: 6.169161054015E+00 Surface tension*area energy for atom 1259: 2.238010151137E+00 Surface tension*area energy for atom 1260: 3.404113922775E-01 Surface tension*area energy for atom 1261: 3.098082442152E+00 Surface tension*area energy for atom 1262: 1.049950282933E+01 Surface tension*area energy for atom 1263: 6.959521797674E+00 Surface tension*area energy for atom 1264: 2.691263535607E+00 Surface tension*area energy for atom 1265: 8.292846941115E+00 Surface tension*area energy for atom 1266: 0.000000000000E+00 Surface tension*area energy for atom 1267: 1.344776251556E+00 Surface tension*area energy for atom 1268: 3.634375459111E-01 Surface tension*area energy for atom 1269: 2.836761602313E-01 Surface tension*area energy for atom 1270: 1.754015362451E+01 Surface tension*area energy for atom 1271: 9.911844088883E+00 Surface tension*area energy for atom 1272: 2.246849456340E+01 Surface tension*area energy for atom 1273: 0.000000000000E+00 Surface tension*area energy for atom 1274: 0.000000000000E+00 Surface tension*area energy for atom 1275: 5.211007974781E-01 Surface tension*area energy for atom 1276: 7.517418712792E+00 Surface tension*area energy for atom 1277: 3.366290434745E+00 Surface tension*area energy for atom 1278: 2.393972796209E+01 Surface tension*area energy for atom 1279: 1.437805051628E+01 Surface tension*area energy for atom 1280: 5.465494020456E+00 Surface tension*area energy for atom 1281: 2.151446140384E+01 Surface tension*area energy for atom 1282: 1.985589201561E+01 Surface tension*area energy for atom 1283: 0.000000000000E+00 Surface tension*area energy for atom 1284: 2.017164377335E-01 Surface tension*area energy for atom 1285: 5.298536853546E+00 Surface tension*area energy for atom 1286: 3.933642755207E+00 Surface tension*area energy for atom 1287: 1.613193433262E+01 Surface tension*area energy for atom 1288: 3.656702544698E+00 Surface tension*area energy for atom 1289: 1.882618274390E+01 Surface tension*area energy for atom 1290: 3.223983794893E+01 Surface tension*area energy for atom 1291: 0.000000000000E+00 Surface tension*area energy for atom 1292: 2.101212893057E+00 Surface tension*area energy for atom 1293: 1.847792996580E+01 Surface tension*area energy for atom 1294: 4.898141699994E+00 Surface tension*area energy for atom 1295: 2.347032153146E-01 Surface tension*area energy for atom 1296: 0.000000000000E+00 Surface tension*area energy for atom 1297: 3.698134691780E-01 Surface tension*area energy for atom 1298: 7.460033837122E-01 Surface tension*area energy for atom 1299: 2.174850561773E+00 Surface tension*area energy for atom 1300: 1.013917890159E+01 Surface tension*area energy for atom 1301: 5.876587404476E+00 Surface tension*area energy for atom 1302: 7.600386376456E+00 Surface tension*area energy for atom 1303: 7.318844933967E+00 Surface tension*area energy for atom 1304: 3.058965239600E+01 Surface tension*area energy for atom 1305: 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8.125367747421E-01 Surface tension*area energy for atom 1690: 1.432186707908E+01 Surface tension*area energy for atom 1691: 1.101438739095E+00 Surface tension*area energy for atom 1692: 2.596381515268E+00 Surface tension*area energy for atom 1693: 1.021990698898E+01 Surface tension*area energy for atom 1694: 2.266056537147E+01 Surface tension*area energy for atom 1695: 3.630895879202E+00 Surface tension*area energy for atom 1696: 0.000000000000E+00 Surface tension*area energy for atom 1697: 0.000000000000E+00 Surface tension*area energy for atom 1698: 0.000000000000E+00 Surface tension*area energy for atom 1699: 0.000000000000E+00 Surface tension*area energy for atom 1700: 1.013799470173E+00 Surface tension*area energy for atom 1701: 1.115792896910E+00 Surface tension*area energy for atom 1702: 2.409619677230E+00 Surface tension*area energy for atom 1703: 8.677760733943E+00 Surface tension*area energy for atom 1704: 7.753815046322E-01 Surface tension*area energy for atom 1705: 3.457960705635E+00 Surface tension*area energy for atom 1706: 3.025746566002E+00 Surface tension*area energy for atom 1707: 0.000000000000E+00 Surface tension*area energy for atom 1708: 0.000000000000E+00 Surface tension*area energy for atom 1709: 0.000000000000E+00 Surface tension*area energy for atom 1710: 4.538619849003E-01 Surface tension*area energy for atom 1711: 4.858586140075E+00 Surface tension*area energy for atom 1712: 1.399469057141E+00 Surface tension*area energy for atom 1713: 5.398173952235E+00 Surface tension*area energy for atom 1714: 1.273260604303E+00 Surface tension*area energy for atom 1715: 1.715355413344E+00 Surface tension*area energy for atom 1716: 3.900176518762E+00 Surface tension*area energy for atom 1717: 1.227503931040E+01 Surface tension*area energy for atom 1718: 4.116852992026E+00 Surface tension*area energy for atom 1719: 4.485894764599E+00 Surface tension*area energy for atom 1720: 5.001615257857E+00 Surface tension*area energy for atom 1721: 9.678657795135E+00 Surface tension*area energy for atom 1722: 8.667058930582E-01 Surface tension*area energy for atom 1723: 3.248875299210E+00 Surface tension*area energy for atom 1724: 1.081576729046E+01 Surface tension*area energy for atom 1725: 4.020847273336E+00 Surface tension*area energy for atom 1726: 0.000000000000E+00 Surface tension*area energy for atom 1727: 0.000000000000E+00 Surface tension*area energy for atom 1728: 1.344776251556E+00 Surface tension*area energy for atom 1729: 2.326000293831E+01 Surface tension*area energy for atom 1730: 4.935965188024E+00 Surface tension*area energy for atom 1731: 2.874332043553E+01 Surface tension*area energy for atom 1732: 0.000000000000E+00 Surface tension*area energy for atom 1733: 1.933115861612E+00 Surface tension*area energy for atom 1734: 1.778931145775E+00 Surface tension*area energy for atom 1735: 2.401791489958E+00 Surface tension*area energy for atom 1736: 9.059544111143E+00 Surface tension*area energy for atom 1737: 1.083467420651E+00 Surface tension*area energy for atom 1738: 4.157448689278E+00 Surface tension*area energy for atom 1739: 9.275817122776E+00 Surface tension*area energy for atom 1740: 0.000000000000E+00 Surface tension*area energy for atom 1741: 0.000000000000E+00 Surface tension*area energy for atom 1742: 6.503619242619E+00 Surface tension*area energy for atom 1743: 3.177172994590E+00 Surface tension*area energy for atom 1744: 9.388128612583E-02 Surface tension*area energy for atom 1745: 0.000000000000E+00 Surface tension*area energy for atom 1746: 3.530037660335E+00 Surface tension*area energy for atom 1747: 3.347451080760E+00 Surface tension*area energy for atom 1748: 0.000000000000E+00 Surface tension*area energy for atom 1749: 6.415221218599E-01 Surface tension*area energy for atom 1750: 1.343779653157E+01 Surface tension*area energy for atom 1751: 4.720858548262E+00 Surface tension*area energy for atom 1752: 7.016257029721E+00 Surface tension*area energy for atom 1753: 1.830685079454E+01 Surface tension*area energy for atom 1754: 2.703781040424E+01 Surface tension*area energy for atom 1755: 0.000000000000E+00 Surface tension*area energy for atom 1756: 1.832257642746E+00 Surface tension*area energy for atom 1757: 3.672632042891E+00 Surface tension*area energy for atom 1758: 2.780026370267E+00 Surface tension*area energy for atom 1759: 2.476901265620E+01 Surface tension*area energy for atom 1760: 2.630752294737E+01 Surface tension*area energy for atom 1761: 1.709664260622E+01 Surface tension*area energy for atom 1762: 0.000000000000E+00 Surface tension*area energy for atom 1763: 0.000000000000E+00 Surface tension*area energy for atom 1764: 7.396269383560E-01 Surface tension*area energy for atom 1765: 6.121053404818E+00 Surface tension*area energy for atom 1766: 2.174850561773E+00 Surface tension*area energy for atom 1767: 5.711111572655E+00 Surface tension*area energy for atom 1768: 1.408422114606E+01 Surface tension*area energy for atom 1769: 5.416911831614E-01 Surface tension*area energy for atom 1770: 0.000000000000E+00 Surface tension*area energy for atom 1771: 2.378883587287E+00 Surface tension*area energy for atom 1772: 2.690399543035E+00 Surface tension*area energy for atom 1773: 3.479966847689E+00 Surface tension*area energy for atom 1774: 4.875220648452E-01 Surface tension*area energy for atom 1775: 1.862326008334E+00 Surface tension*area energy for atom 1776: 2.004257377697E+00 Surface tension*area energy for atom 1777: 3.615903052677E+00 Surface tension*area energy for atom 1778: 2.166764732645E-01 Surface tension*area energy for atom 1779: 6.389001634429E-01 Surface tension*area energy for atom 1780: 0.000000000000E+00 Surface tension*area energy for atom 1781: 1.849067345890E-01 Surface tension*area energy for atom 1782: 5.394178312996E+00 Surface tension*area energy for atom 1783: 4.917053444009E-01 Surface tension*area energy for atom 1784: 1.215762655330E+01 Surface tension*area energy for atom 1785: 1.934763251163E-01 Surface tension*area energy for atom 1786: 3.779596436936E+00 Surface tension*area energy for atom 1787: 2.157166772739E+01 Surface tension*area energy for atom 1788: 0.000000000000E+00 Surface tension*area energy for atom 1789: 0.000000000000E+00 Surface tension*area energy for atom 1790: 0.000000000000E+00 Surface tension*area energy for atom 1791: 6.694902161520E-01 Surface tension*area energy for atom 1792: 1.002322432817E+00 Surface tension*area energy for atom 1793: 1.721156912307E+01 Surface tension*area energy for atom 1794: 0.000000000000E+00 Surface tension*area energy for atom 1795: 2.368961328608E+01 Surface tension*area energy for atom 1796: 8.805162554179E+00 Surface tension*area energy for atom 1797: 0.000000000000E+00 Surface tension*area energy for atom 1798: 1.092630704390E+00 Surface tension*area energy for atom 1799: 3.557862291551E+00 Surface tension*area energy for atom 1800: 2.458526722005E+00 Surface tension*area energy for atom 1801: 1.279914867516E+01 Surface tension*area energy for atom 1802: 1.185111793236E+01 Surface tension*area energy for atom 1803: 1.022526208379E+01 Surface tension*area energy for atom 1804: 8.377902598831E+00 Surface tension*area energy for atom 1805: 2.832085464796E+01 Surface tension*area energy for atom 1806: 2.830754009526E+01 Surface tension*area energy for atom 1807: 0.000000000000E+00 Surface tension*area energy for atom 1808: 0.000000000000E+00 Surface tension*area energy for atom 1809: 0.000000000000E+00 Surface tension*area energy for atom 1810: 5.244627381070E+00 Surface tension*area energy for atom 1811: 7.153981166881E+00 Surface tension*area energy for atom 1812: 2.704379394205E+00 Surface tension*area energy for atom 1813: 1.261138610290E+01 Surface tension*area energy for atom 1814: 1.218412455195E+01 Surface tension*area energy for atom 1815: 2.058764454035E+01 Surface tension*area energy for atom 1816: 1.986286542713E+01 Surface tension*area energy for atom 1817: 9.413433760895E+00 Surface tension*area energy for atom 1818: 1.427473208206E-01 Surface tension*area energy for atom 1819: 1.575069184635E+01 Surface tension*area energy for atom 1820: 2.729895790659E+01 Surface tension*area energy for atom 1821: 0.000000000000E+00 Surface tension*area energy for atom 1822: 0.000000000000E+00 Surface tension*area energy for atom 1823: 0.000000000000E+00 Surface tension*area energy for atom 1824: 0.000000000000E+00 Surface tension*area energy for atom 1825: 0.000000000000E+00 Surface tension*area energy for atom 1826: 0.000000000000E+00 Surface tension*area energy for atom 1827: 3.967089942091E+00 Surface tension*area energy for atom 1828: 5.068997350865E+00 Surface tension*area energy for atom 1829: 9.134372359447E+00 Surface tension*area energy for atom 1830: 2.411184365332E+01 Surface tension*area energy for atom 1831: 2.385894486217E+01 Surface tension*area energy for atom 1832: 2.889322140534E+01 Surface tension*area energy for atom 1833: 1.500488650610E+01 Surface tension*area energy for atom 1834: 1.376714687531E+01 Surface tension*area energy for atom 1835: 5.709892832824E-01 Surface tension*area energy for atom 1836: 1.285942290551E+01 Surface tension*area energy for atom 1837: 3.847741049766E+01 Surface tension*area energy for atom 1838: 0.000000000000E+00 Surface tension*area energy for atom 1839: 0.000000000000E+00 Surface tension*area energy for atom 1840: 0.000000000000E+00 Surface tension*area energy for atom 1841: 0.000000000000E+00 Surface tension*area energy for atom 1842: 0.000000000000E+00 Surface tension*area energy for atom 1843: 0.000000000000E+00 Surface tension*area energy for atom 1844: 1.210298626401E+00 Surface tension*area energy for atom 1845: 7.574803588463E+00 Surface tension*area energy for atom 1846: 3.095852495324E+01 Surface tension*area energy for atom 1847: 1.486453696992E+00 Surface tension*area energy for atom 1848: 9.228820708047E+00 Surface tension*area energy for atom 1849: 3.969186861839E+01 Surface tension*area energy for atom 1850: 2.170894197656E+01 Surface tension*area energy for atom 1851: 7.799029234910E+01 Surface tension*area energy for atom 1852: 0.000000000000E+00 Surface tension*area energy for atom 1853: 8.152706025061E+00 Surface tension*area energy for atom 1854: 1.520699205260E+01 Surface tension*area energy for atom 1855: 2.761114626251E+00 Surface tension*area energy for atom 1856: 4.381126685872E+00 Surface tension*area energy for atom 1857: 1.645444473253E+01 Surface tension*area energy for atom 1858: 2.080311941185E+01 Surface tension*area energy for atom 1859: 2.102199278717E+01 Surface tension*area energy for atom 1860: 0.000000000000E+00 Surface tension*area energy for atom 1861: 0.000000000000E+00 Surface tension*area energy for atom 1862: 4.874813911892E+00 Surface tension*area energy for atom 1863: 1.664161394435E+00 Surface tension*area energy for atom 1864: 9.266754567555E-01 Surface tension*area energy for atom 1865: 1.087458230958E+01 Surface tension*area energy for atom 1866: 1.081292082424E+01 Surface tension*area energy for atom 1867: 1.653279923126E+01 Surface tension*area energy for atom 1868: 2.325169749704E+01 Surface tension*area energy for atom 1869: 2.282074775405E+01 Surface tension*area energy for atom 1870: 3.000532011285E+01 Surface tension*area energy for atom 1871: 0.000000000000E+00 Surface tension*area energy for atom 1872: 0.000000000000E+00 Surface tension*area energy for atom 1873: 0.000000000000E+00 Surface tension*area energy for atom 1874: 0.000000000000E+00 Surface tension*area energy for atom 1875: 3.866231723225E-01 Surface tension*area energy for atom 1876: 1.740674561995E+00 Surface tension*area energy for atom 1877: 1.342733825095E+00 Surface tension*area energy for atom 1878: 1.473936192176E+01 Surface tension*area energy for atom 1879: 4.622915424854E+00 Surface tension*area energy for atom 1880: 3.611274554409E-02 Surface tension*area energy for atom 1881: 5.416911831614E-01 Surface tension*area energy for atom 1882: 2.039043074818E-01 Surface tension*area energy for atom 1883: 3.791838282130E-01 Surface tension*area energy for atom 1884: 2.174979279806E+00 Surface tension*area energy for atom 1885: 2.257046596506E+00 Surface tension*area energy for atom 1886: 1.056224312756E+01 Surface tension*area energy for atom 1887: 7.764240291980E-01 Surface tension*area energy for atom 1888: 0.000000000000E+00 Surface tension*area energy for atom 1889: 1.300058839587E+00 Surface tension*area energy for atom 1890: 8.829780612246E+00 Surface tension*area energy for atom 1891: 0.000000000000E+00 Surface tension*area energy for atom 1892: 0.000000000000E+00 Surface tension*area energy for atom 1893: 8.068657509338E-01 Surface tension*area energy for atom 1894: 7.421777253342E+00 Surface tension*area energy for atom 1895: 6.808227845551E-01 Surface tension*area energy for atom 1896: 1.408219291887E+00 Surface tension*area energy for atom 1897: 1.644548763489E+00 Surface tension*area energy for atom 1898: 1.704161750464E+01 Surface tension*area energy for atom 1899: 4.002524893782E+01 Surface tension*area energy for atom 1900: 0.000000000000E+00 Surface tension*area energy for atom 1901: 7.228172352116E-01 Surface tension*area energy for atom 1902: 1.530263351205E-01 Surface tension*area energy for atom 1903: 5.673523204626E-02 Surface tension*area energy for atom 1904: 1.470806815971E+01 Surface tension*area energy for atom 1905: 2.546521208606E-01 Surface tension*area energy for atom 1906: 1.065621182678E+01 Surface tension*area energy for atom 1907: 4.720858548262E+00 Surface tension*area energy for atom 1908: 1.770811671215E+01 Surface tension*area energy for atom 1909: 6.219590163448E+00 Surface tension*area energy for atom 1910: 0.000000000000E+00 Surface tension*area energy for atom 1911: 0.000000000000E+00 Surface tension*area energy for atom 1912: 0.000000000000E+00 Surface tension*area energy for atom 1913: 0.000000000000E+00 Surface tension*area energy for atom 1914: 3.361940628891E-02 Surface tension*area energy for atom 1915: 1.262467264744E+00 Surface tension*area energy for atom 1916: 9.266754567555E-01 Surface tension*area energy for atom 1917: 7.197565269647E-01 Surface tension*area energy for atom 1918: 1.194906105577E+00 Surface tension*area energy for atom 1919: 6.307537147471E+00 Surface tension*area energy for atom 1920: 2.912408578375E+00 Surface tension*area energy for atom 1921: 8.558843918472E+00 Surface tension*area energy for atom 1922: 1.499425520485E+01 Surface tension*area energy for atom 1923: 0.000000000000E+00 Surface tension*area energy for atom 1924: 0.000000000000E+00 Surface tension*area energy for atom 1925: 0.000000000000E+00 Surface tension*area energy for atom 1926: 2.908078643991E+00 Surface tension*area energy for atom 1927: 1.032927762063E+00 Surface tension*area energy for atom 1928: 1.891174401542E-01 Surface tension*area energy for atom 1929: 8.574490799493E+00 Surface tension*area energy for atom 1930: 2.278157050469E+01 Surface tension*area energy for atom 1931: 6.373257733196E+00 Surface tension*area energy for atom 1932: 1.666392828734E+01 Surface tension*area energy for atom 1933: 2.877821178331E+01 Surface tension*area energy for atom 1934: 0.000000000000E+00 Surface tension*area energy for atom 1935: 0.000000000000E+00 Surface tension*area energy for atom 1936: 0.000000000000E+00 Surface tension*area energy for atom 1937: 3.008936862857E+00 Surface tension*area energy for atom 1938: 2.352779902477E+00 Surface tension*area energy for atom 1939: 1.512939521234E-01 Surface tension*area energy for atom 1940: 1.841637896168E+01 Surface tension*area energy for atom 1941: 5.436684735768E+00 Surface tension*area energy for atom 1942: 6.143854633657E+00 Surface tension*area energy for atom 1943: 1.745344025216E+00 Surface tension*area energy for atom 1944: 0.000000000000E+00 Surface tension*area energy for atom 1945: 0.000000000000E+00 Surface tension*area energy for atom 1946: 5.328675896792E+00 Surface tension*area energy for atom 1947: 3.883043253682E+00 Surface tension*area energy for atom 1948: 2.836761602313E-01 Surface tension*area energy for atom 1949: 3.129376204194E+00 Surface tension*area energy for atom 1950: 6.385891646197E+00 Surface tension*area energy for atom 1951: 2.495844594000E+00 Surface tension*area energy for atom 1952: 1.608069776042E+00 Surface tension*area energy for atom 1953: 2.596444370096E+01 Surface tension*area energy for atom 1954: 0.000000000000E+00 Surface tension*area energy for atom 1955: 8.219944837638E+00 Surface tension*area energy for atom 1956: 2.104112107906E-01 Surface tension*area energy for atom 1957: 0.000000000000E+00 Surface tension*area energy for atom 1958: 7.604384176192E+00 Surface tension*area energy for atom 1959: 6.797252764511E+00 Surface tension*area energy for atom 1960: 1.762976221343E+01 Surface tension*area energy for atom 1961: 2.507343959243E+01 Surface tension*area energy for atom 1962: 7.345734255595E+00 Surface tension*area energy for atom 1963: 2.205433052552E+01 Surface tension*area energy for atom 1964: 0.000000000000E+00 Surface tension*area energy for atom 1965: 0.000000000000E+00 Surface tension*area energy for atom 1966: 0.000000000000E+00 Surface tension*area energy for atom 1967: 0.000000000000E+00 Surface tension*area energy for atom 1968: 2.857649534557E-01 Surface tension*area energy for atom 1969: 1.912829189006E-02 Surface tension*area energy for atom 1970: 1.891174401542E-02 Surface tension*area energy for atom 1971: 1.043646964099E+01 Surface tension*area energy for atom 1972: 1.332026478348E+00 Surface tension*area energy for atom 1973: 3.656702544698E+00 Surface tension*area energy for atom 1974: 7.706968560785E+00 Surface tension*area energy for atom 1975: 2.333662235963E+00 Surface tension*area energy for atom 1976: 0.000000000000E+00 Surface tension*area energy for atom 1977: 3.361940628891E-02 Surface tension*area energy for atom 1978: 4.609918345504E+00 Surface tension*area energy for atom 1979: 2.950232066405E+00 Surface tension*area energy for atom 1980: 5.226058261005E+00 Surface tension*area energy for atom 1981: 1.561004319182E+01 Surface tension*area energy for atom 1982: 0.000000000000E+00 Surface tension*area energy for atom 1983: 2.420597252801E+00 Surface tension*area energy for atom 1984: 7.919112842484E+00 Surface tension*area energy for atom 1985: 7.375580166014E-01 Surface tension*area energy for atom 1986: 3.409455374470E+01 Surface tension*area energy for atom 1987: 5.204513145628E+00 Surface tension*area energy for atom 1988: 2.116574004684E+01 Surface tension*area energy for atom 1989: 4.018213379401E+01 Surface tension*area energy for atom 1990: 5.524529738976E+01 Surface tension*area energy for atom 1991: 0.000000000000E+00 Surface tension*area energy for atom 1992: 0.000000000000E+00 Total surface tension energy: 11834.8 kJ/mol Total solvent accessible volume: 0 A^3 Total pressure*volume energy: 0 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.887251814619E-02 WCA energy for atom 1: -3.193631847805E-02 WCA energy for atom 2: -2.451393148095E-02 WCA energy for atom 3: -2.028701214872E-02 WCA energy for atom 4: -2.345808228937E-02 WCA energy for atom 5: -2.498260076200E-02 WCA energy for atom 6: -5.468236826681E-02 WCA energy for atom 7: -3.682787432549E-02 WCA energy for atom 8: -1.752574735077E-02 WCA energy for atom 9: -4.687581158502E-02 WCA energy for atom 10: -2.517137539447E-02 WCA energy for atom 11: -6.927657284292E-02 WCA energy for atom 12: 0.000000000000E+00 WCA energy for atom 13: 0.000000000000E+00 WCA energy for atom 14: 0.000000000000E+00 WCA energy for atom 15: 0.000000000000E+00 WCA energy for atom 16: 0.000000000000E+00 WCA energy for atom 17: -2.339966569526E-02 WCA energy for atom 18: -1.401912883004E-02 WCA energy for atom 19: -1.264741688060E-02 WCA energy for atom 20: -1.399622963664E-02 WCA energy for atom 21: -3.247909741617E-02 WCA energy for atom 22: -3.847708684559E-02 WCA energy for atom 23: -9.050054327766E-02 WCA energy for atom 24: 0.000000000000E+00 WCA energy for atom 25: -8.001512311299E-03 WCA energy for atom 26: -6.007501821662E-03 WCA energy for atom 27: -7.591756685185E-03 WCA energy for atom 28: -1.199011639133E-02 WCA energy for atom 29: -8.366351155994E-03 WCA energy for atom 30: -1.844909872491E-02 WCA energy for atom 31: -1.717334547299E-02 WCA energy for atom 32: -2.642977339469E-02 WCA energy for atom 33: 0.000000000000E+00 WCA energy for atom 34: -7.010922810372E-03 WCA energy for atom 35: -6.704292112035E-03 WCA energy for atom 36: -7.449064884621E-03 WCA energy for atom 37: -6.664106769667E-03 WCA energy for atom 38: -1.428019755371E-02 WCA energy for atom 39: -2.873760208755E-02 WCA energy for atom 40: -3.386615402222E-02 WCA energy for atom 41: -9.138704540094E-02 WCA energy for atom 42: 0.000000000000E+00 WCA energy for atom 43: -7.112601313338E-03 WCA energy for atom 44: -5.590785710742E-03 WCA energy for atom 45: -8.820710434033E-03 WCA energy for atom 46: -8.201945343180E-03 WCA energy for atom 47: -5.936750580926E-03 WCA energy for atom 48: -7.257423179834E-03 WCA energy for atom 49: -3.015460999816E-03 WCA energy for atom 50: -2.260184416851E-03 WCA energy for atom 51: -3.074388747132E-03 WCA energy for atom 52: 0.000000000000E+00 WCA energy for atom 53: 0.000000000000E+00 WCA energy for atom 54: 0.000000000000E+00 WCA energy for atom 55: -1.212553886951E-02 WCA energy for atom 56: -1.850924463726E-02 WCA energy for atom 57: -2.033919189962E-02 WCA energy for atom 58: -2.102701774051E-02 WCA energy for atom 59: -6.217514088836E-02 WCA energy for atom 60: 0.000000000000E+00 WCA energy for atom 61: -1.878842863402E-02 WCA energy for atom 62: -1.270118946858E-02 WCA energy for atom 63: -1.488575980690E-02 WCA energy for atom 64: -1.577845198815E-02 WCA energy for atom 65: -8.042593661866E-03 WCA energy for atom 66: -6.862156864118E-03 WCA energy for atom 67: -5.467793234679E-03 WCA energy for atom 68: -4.689937573680E-03 WCA energy for atom 69: -9.745155173142E-03 WCA energy for atom 70: 0.000000000000E+00 WCA energy for atom 71: -1.184374577732E-02 WCA energy for atom 72: -8.152048182878E-03 WCA energy for atom 73: -7.034471699840E-03 WCA energy for atom 74: -9.072760376587E-03 WCA energy for atom 75: -1.612184992500E-02 WCA energy for atom 76: -1.550365296705E-02 WCA energy for atom 77: -1.550671097228E-02 WCA energy for atom 78: -4.814924079870E-03 WCA energy for atom 79: -2.844301738483E-02 WCA energy for atom 80: -1.563354243628E-02 WCA energy for atom 81: -2.738694895044E-02 WCA energy for atom 82: -1.381164249187E-02 WCA energy for atom 83: -3.866054423920E-02 WCA energy for atom 84: -2.258758041273E-02 WCA energy for atom 85: -3.808897029782E-02 WCA energy for atom 86: -2.440051363944E-02 WCA energy for atom 87: 0.000000000000E+00 WCA energy for atom 88: 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energy for atom 111: -2.339238264323E-02 WCA energy for atom 112: -3.580986757558E-02 WCA energy for atom 113: -9.429292886534E-02 WCA energy for atom 114: 0.000000000000E+00 WCA energy for atom 115: -7.276268611934E-03 WCA energy for atom 116: -1.239926519814E-02 WCA energy for atom 117: -1.620962066462E-02 WCA energy for atom 118: -1.142899450671E-02 WCA energy for atom 119: -4.060246916885E-02 WCA energy for atom 120: -3.091766851952E-02 WCA energy for atom 121: -2.902486641706E-02 WCA energy for atom 122: -3.318619904814E-02 WCA energy for atom 123: 0.000000000000E+00 WCA energy for atom 124: 0.000000000000E+00 WCA energy for atom 125: 0.000000000000E+00 WCA energy for atom 126: -2.396453049220E-02 WCA energy for atom 127: -4.266003026870E-02 WCA energy for atom 128: -4.112986770651E-02 WCA energy for atom 129: -7.074704573460E-02 WCA energy for atom 130: -8.195139144094E-02 WCA energy for atom 131: -7.886527847122E-02 WCA energy for atom 132: -3.266526112839E-02 WCA energy for 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for atom 1687: -1.746955010238E-02 WCA energy for atom 1688: -4.138022970111E-02 WCA energy for atom 1689: -2.929167196479E-02 WCA energy for atom 1690: -7.635566764229E-02 WCA energy for atom 1691: -1.717453719634E-02 WCA energy for atom 1692: -3.545685664272E-03 WCA energy for atom 1693: -5.396648258104E-02 WCA energy for atom 1694: -2.965780271395E-02 WCA energy for atom 1695: -3.484289816581E-02 WCA energy for atom 1696: 0.000000000000E+00 WCA energy for atom 1697: 0.000000000000E+00 WCA energy for atom 1698: 0.000000000000E+00 WCA energy for atom 1699: -6.656858335745E-03 WCA energy for atom 1700: -6.188689430402E-03 WCA energy for atom 1701: -9.593163478126E-03 WCA energy for atom 1702: -1.161906936057E-02 WCA energy for atom 1703: -1.190425528041E-02 WCA energy for atom 1704: -7.264760481600E-03 WCA energy for atom 1705: -6.084171672970E-03 WCA energy for atom 1706: -9.533849884797E-03 WCA energy for atom 1707: 0.000000000000E+00 WCA energy for atom 1708: 0.000000000000E+00 WCA energy for atom 1709: 0.000000000000E+00 WCA energy for atom 1710: -1.026551482760E-02 WCA energy for atom 1711: -1.399337075720E-02 WCA energy for atom 1712: -1.741889646904E-02 WCA energy for atom 1713: -2.067191869589E-02 WCA energy for atom 1714: -1.307730720032E-02 WCA energy for atom 1715: -1.124647721254E-02 WCA energy for atom 1716: -2.021218400186E-02 WCA energy for atom 1717: -1.218848632568E-02 WCA energy for atom 1718: -1.177527630059E-02 WCA energy for atom 1719: -4.524793232356E-03 WCA energy for atom 1720: -2.443415667333E-02 WCA energy for atom 1721: -1.584575642690E-02 WCA energy for atom 1722: -1.244561617892E-02 WCA energy for atom 1723: -4.624208793226E-03 WCA energy for atom 1724: -1.997185009983E-02 WCA energy for atom 1725: -2.060182857087E-02 WCA energy for atom 1726: 0.000000000000E+00 WCA energy for atom 1727: 0.000000000000E+00 WCA energy for atom 1728: -2.902632632901E-02 WCA energy for atom 1729: -6.005193592571E-02 WCA energy for atom 1730: -4.830042668337E-02 WCA energy for atom 1731: -8.277177453549E-02 WCA energy for atom 1732: 0.000000000000E+00 WCA energy for atom 1733: -2.722288226462E-02 WCA energy for atom 1734: -1.825303057376E-02 WCA energy for atom 1735: -1.663138327618E-02 WCA energy for atom 1736: -2.417424719071E-02 WCA energy for atom 1737: -1.184615210012E-02 WCA energy for atom 1738: -9.222748459390E-03 WCA energy for atom 1739: -3.320369014479E-02 WCA energy for atom 1740: 0.000000000000E+00 WCA energy for atom 1741: -1.084447383960E-02 WCA energy for atom 1742: -1.671845351934E-02 WCA energy for atom 1743: -1.532812397133E-02 WCA energy for atom 1744: -1.006251292325E-02 WCA energy for atom 1745: 0.000000000000E+00 WCA energy for atom 1746: -2.028534860427E-02 WCA energy for atom 1747: -1.844505792749E-02 WCA energy for atom 1748: -1.587623843302E-02 WCA energy for atom 1749: -9.886291063211E-03 WCA energy for atom 1750: -4.594055381861E-02 WCA energy for atom 1751: -3.637095867017E-02 WCA energy for atom 1752: -5.649290857115E-02 WCA energy for atom 1753: -7.052167911454E-02 WCA energy for atom 1754: -8.631212482262E-02 WCA energy for atom 1755: 0.000000000000E+00 WCA energy for atom 1756: -2.944885738948E-02 WCA energy for atom 1757: -3.474077071475E-02 WCA energy for atom 1758: -3.663353717746E-02 WCA energy for atom 1759: -7.183426005835E-02 WCA energy for atom 1760: -7.658076046211E-02 WCA energy for atom 1761: -5.480189419523E-02 WCA energy for atom 1762: 0.000000000000E+00 WCA energy for atom 1763: 0.000000000000E+00 WCA energy for atom 1764: -2.266882400194E-02 WCA energy for atom 1765: -2.421514595590E-02 WCA energy for atom 1766: -1.628035297875E-02 WCA energy for atom 1767: -2.562661338711E-02 WCA energy for atom 1768: -3.372124226829E-02 WCA energy for atom 1769: -9.802885954164E-03 WCA energy for atom 1770: -6.519076521604E-03 WCA energy for atom 1771: -3.588437697691E-03 WCA energy for atom 1772: -1.080359402643E-02 WCA energy for atom 1773: -6.147770100391E-03 WCA energy for atom 1774: -4.889438251409E-03 WCA energy for atom 1775: -2.357056459743E-03 WCA energy for atom 1776: -8.536476680974E-03 WCA energy for atom 1777: -5.332516063591E-03 WCA energy for atom 1778: -4.274099546316E-03 WCA energy for atom 1779: -1.128809519965E-03 WCA energy for atom 1780: 0.000000000000E+00 WCA energy for atom 1781: -1.212155209956E-02 WCA energy for atom 1782: -1.743522838230E-02 WCA energy for atom 1783: -1.693918125089E-02 WCA energy for atom 1784: -3.806522217833E-02 WCA energy for atom 1785: -1.681888218488E-02 WCA energy for atom 1786: -1.625886784743E-02 WCA energy for atom 1787: -3.368479155882E-02 WCA energy for atom 1788: 0.000000000000E+00 WCA energy for atom 1789: 0.000000000000E+00 WCA energy for atom 1790: -1.004703394340E-02 WCA energy for atom 1791: -1.422827741395E-02 WCA energy for atom 1792: -2.612022669420E-02 WCA energy for atom 1793: -4.858117675514E-02 WCA energy for atom 1794: -1.498798995429E-02 WCA energy for atom 1795: -5.255446466299E-02 WCA energy for atom 1796: -2.294774772098E-02 WCA energy for atom 1797: 0.000000000000E+00 WCA energy for atom 1798: -1.761126882897E-02 WCA energy for atom 1799: -2.743449151406E-02 WCA energy for atom 1800: -3.351124028666E-02 WCA energy for atom 1801: -5.492018242728E-02 WCA energy for atom 1802: -5.597171816598E-02 WCA energy for atom 1803: -5.785639968387E-02 WCA energy for atom 1804: -7.787301703946E-02 WCA energy for atom 1805: -1.059673204952E-01 WCA energy for atom 1806: -9.964175656460E-02 WCA energy for atom 1807: 0.000000000000E+00 WCA energy for atom 1808: 0.000000000000E+00 WCA energy for atom 1809: 0.000000000000E+00 WCA energy for atom 1810: -2.917155114504E-02 WCA energy for atom 1811: -3.541658958548E-02 WCA energy for atom 1812: -4.192528487744E-02 WCA energy for atom 1813: -5.396390771343E-02 WCA energy for atom 1814: -4.930486171123E-02 WCA energy for atom 1815: -5.522372036323E-02 WCA energy for atom 1816: -6.513508231072E-02 WCA energy for atom 1817: -6.474778431565E-02 WCA energy for atom 1818: -2.091328023628E-02 WCA energy for atom 1819: -6.644836938033E-02 WCA energy for atom 1820: -1.011225899845E-01 WCA energy for atom 1821: 0.000000000000E+00 WCA energy for atom 1822: 0.000000000000E+00 WCA energy for atom 1823: 0.000000000000E+00 WCA energy for atom 1824: 0.000000000000E+00 WCA energy for atom 1825: 0.000000000000E+00 WCA energy for atom 1826: 0.000000000000E+00 WCA energy for atom 1827: -4.726648796967E-02 WCA energy for atom 1828: -4.610391697580E-02 WCA energy for atom 1829: -5.657098613861E-02 WCA energy for atom 1830: -8.158148912926E-02 WCA energy for atom 1831: -8.856389654303E-02 WCA energy for atom 1832: -1.043369965231E-01 WCA energy for atom 1833: -7.935872264044E-02 WCA energy for atom 1834: -8.971632287224E-02 WCA energy for atom 1835: -2.736368725309E-02 WCA energy for atom 1836: -6.411050773335E-02 WCA energy for atom 1837: -1.245165565723E-01 WCA energy for atom 1838: 0.000000000000E+00 WCA energy for atom 1839: 0.000000000000E+00 WCA energy for atom 1840: 0.000000000000E+00 WCA energy for atom 1841: 0.000000000000E+00 WCA energy for atom 1842: 0.000000000000E+00 WCA energy for atom 1843: 0.000000000000E+00 WCA energy for atom 1844: -5.001704346406E-02 WCA energy for atom 1845: -5.365936825021E-02 WCA energy for atom 1846: -8.232782412601E-02 WCA energy for atom 1847: -5.697623411606E-02 WCA energy for atom 1848: -6.136067715053E-02 WCA energy for atom 1849: -1.318451658963E-01 WCA energy for atom 1850: -9.302598011388E-02 WCA energy for atom 1851: -2.675866316535E-01 WCA energy for atom 1852: 0.000000000000E+00 WCA energy for atom 1853: -6.490772952645E-02 WCA energy for atom 1854: -5.589493466294E-02 WCA energy for atom 1855: -3.465175518797E-02 WCA energy for atom 1856: -3.183065358557E-02 WCA energy for atom 1857: -6.833078389136E-02 WCA energy for atom 1858: -7.036402075575E-02 WCA energy for atom 1859: -8.080152843492E-02 WCA energy for atom 1860: 0.000000000000E+00 WCA energy for atom 1861: 0.000000000000E+00 WCA energy for atom 1862: -3.291658399877E-02 WCA energy for atom 1863: -1.943478615657E-02 WCA energy for atom 1864: -1.912123950330E-02 WCA energy for atom 1865: -3.218674831552E-02 WCA energy for atom 1866: -4.137347284449E-02 WCA energy for atom 1867: -7.031888177684E-02 WCA energy for atom 1868: -9.421634185527E-02 WCA energy for atom 1869: -9.904466365468E-02 WCA energy for atom 1870: -1.293984482446E-01 WCA energy for atom 1871: 0.000000000000E+00 WCA energy for atom 1872: 0.000000000000E+00 WCA energy for atom 1873: 0.000000000000E+00 WCA energy for atom 1874: 0.000000000000E+00 WCA energy for atom 1875: -1.000805527390E-02 WCA energy for atom 1876: -7.971254225957E-03 WCA energy for atom 1877: -1.753672318511E-02 WCA energy for atom 1878: -3.002281638414E-02 WCA energy for atom 1879: -6.623014825647E-03 WCA energy for atom 1880: -3.501117637118E-03 WCA energy for atom 1881: -4.011397644525E-03 WCA energy for atom 1882: -1.433674428513E-03 WCA energy for atom 1883: -3.620559778132E-03 WCA energy for atom 1884: -1.845671698559E-03 WCA energy for atom 1885: -7.182029180733E-03 WCA energy for atom 1886: -5.270030150481E-03 WCA energy for atom 1887: -3.219825976717E-03 WCA energy for atom 1888: -1.023247090211E-03 WCA energy for atom 1889: -5.867204506041E-03 WCA energy for atom 1890: -1.419008532262E-02 WCA energy for atom 1891: 0.000000000000E+00 WCA energy for atom 1892: 0.000000000000E+00 WCA energy for atom 1893: -1.569713686282E-02 WCA energy for atom 1894: -2.523490938029E-02 WCA energy for atom 1895: -1.433819766772E-02 WCA energy for atom 1896: -6.927320255924E-03 WCA energy for atom 1897: -2.908526582187E-02 WCA energy for atom 1898: -5.491437346889E-02 WCA energy for atom 1899: -1.024689086452E-01 WCA energy for atom 1900: 0.000000000000E+00 WCA energy for atom 1901: -1.763970569823E-02 WCA energy for atom 1902: -7.092592574778E-03 WCA energy for atom 1903: -1.249410188224E-02 WCA energy for atom 1904: -3.685584912004E-02 WCA energy for atom 1905: -9.642006284639E-03 WCA energy for atom 1906: -3.476017390661E-02 WCA energy for atom 1907: -2.626295485328E-02 WCA energy for atom 1908: -5.557392767188E-02 WCA energy for atom 1909: -4.297635047190E-02 WCA energy for atom 1910: 0.000000000000E+00 WCA energy for atom 1911: 0.000000000000E+00 WCA energy for atom 1912: 0.000000000000E+00 WCA energy for atom 1913: 0.000000000000E+00 WCA energy for atom 1914: -7.199229846768E-03 WCA energy for atom 1915: -9.685066266503E-03 WCA energy for atom 1916: -9.493660912083E-03 WCA energy for atom 1917: -4.337919667973E-03 WCA energy for atom 1918: -7.279045031837E-03 WCA energy for atom 1919: -1.130023444444E-02 WCA energy for atom 1920: -1.747672950066E-02 WCA energy for atom 1921: -1.841064400108E-02 WCA energy for atom 1922: -3.256381328332E-02 WCA energy for atom 1923: 0.000000000000E+00 WCA energy for atom 1924: 0.000000000000E+00 WCA energy for atom 1925: 0.000000000000E+00 WCA energy for atom 1926: -1.776959471668E-02 WCA energy for atom 1927: -2.305780573844E-02 WCA energy for atom 1928: -2.230773975012E-02 WCA energy for atom 1929: -2.416385213055E-02 WCA energy for atom 1930: -6.940806939841E-02 WCA energy for atom 1931: -6.968806667634E-02 WCA energy for atom 1932: -7.148851028156E-02 WCA energy for atom 1933: -9.437349950676E-02 WCA energy for atom 1934: 0.000000000000E+00 WCA energy for atom 1935: 0.000000000000E+00 WCA energy for atom 1936: 0.000000000000E+00 WCA energy for atom 1937: -2.073684781417E-02 WCA energy for atom 1938: -1.545439660610E-02 WCA energy for atom 1939: -2.479299051699E-02 WCA energy for atom 1940: -5.249998276691E-02 WCA energy for atom 1941: -1.491563162183E-02 WCA energy for atom 1942: -1.749316223313E-02 WCA energy for atom 1943: -1.033728686620E-02 WCA energy for atom 1944: 0.000000000000E+00 WCA energy for atom 1945: 0.000000000000E+00 WCA energy for atom 1946: -2.785401928553E-02 WCA energy for atom 1947: -2.691269695969E-02 WCA energy for atom 1948: -2.402217463611E-02 WCA energy for atom 1949: -1.716464658724E-02 WCA energy for atom 1950: -2.796182921032E-02 WCA energy for atom 1951: -1.971093947610E-02 WCA energy for atom 1952: -1.564156307379E-02 WCA energy for atom 1953: -6.093078269356E-02 WCA energy for atom 1954: 0.000000000000E+00 WCA energy for atom 1955: -3.802878550931E-02 WCA energy for atom 1956: -1.894755277313E-02 WCA energy for atom 1957: -1.495641752223E-02 WCA energy for atom 1958: -2.749028255570E-02 WCA energy for atom 1959: -3.772836103291E-02 WCA energy for atom 1960: -6.436029095809E-02 WCA energy for atom 1961: -7.639253910748E-02 WCA energy for atom 1962: -5.158149145885E-02 WCA energy for atom 1963: -9.153373361637E-02 WCA energy for atom 1964: 0.000000000000E+00 WCA energy for atom 1965: 0.000000000000E+00 WCA energy for atom 1966: 0.000000000000E+00 WCA energy for atom 1967: 0.000000000000E+00 WCA energy for atom 1968: -6.631828862706E-03 WCA energy for atom 1969: -5.321609980564E-03 WCA energy for atom 1970: -1.289897756751E-02 WCA energy for atom 1971: -2.496491153541E-02 WCA energy for atom 1972: -6.983647610755E-03 WCA energy for atom 1973: -6.056784584541E-03 WCA energy for atom 1974: -1.061733151608E-02 WCA energy for atom 1975: -1.110689395330E-02 WCA energy for atom 1976: 0.000000000000E+00 WCA energy for atom 1977: -1.250211539437E-02 WCA energy for atom 1978: -2.432180538757E-02 WCA energy for atom 1979: -2.855009905610E-02 WCA energy for atom 1980: -2.600441666181E-02 WCA energy for atom 1981: -4.684450635131E-02 WCA energy for atom 1982: 0.000000000000E+00 WCA energy for atom 1983: -3.510764697520E-02 WCA energy for atom 1984: -4.090049423117E-02 WCA energy for atom 1985: -6.031134210769E-02 WCA energy for atom 1986: -1.091426881507E-01 WCA energy for atom 1987: -5.545078225085E-02 WCA energy for atom 1988: -6.876866881947E-02 WCA energy for atom 1989: -1.290195356634E-01 WCA energy for atom 1990: -2.067803110991E-01 WCA energy for atom 1991: 0.000000000000E+00 WCA energy for atom 1992: 0.000000000000E+00 Total WCA energy: -50.9716 kJ/mol Total non-polar energy = 1.178382609455E+04 kJ/mol ---------------------------------------- CALCULATION #2 (complexp): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 0.000000000000E+00 SASA for atom 1: 0.000000000000E+00 SASA for atom 2: 0.000000000000E+00 SASA for atom 3: 0.000000000000E+00 SASA for atom 4: 0.000000000000E+00 SASA for atom 5: 0.000000000000E+00 SASA for atom 6: 0.000000000000E+00 SASA for atom 7: 0.000000000000E+00 SASA for atom 8: 0.000000000000E+00 SASA for atom 9: 0.000000000000E+00 SASA for atom 10: 0.000000000000E+00 SASA for atom 11: 0.000000000000E+00 SASA for atom 12: 0.000000000000E+00 SASA for atom 13: 0.000000000000E+00 SASA for atom 14: 0.000000000000E+00 SASA for atom 15: 0.000000000000E+00 SASA for atom 16: 0.000000000000E+00 SASA for atom 17: 0.000000000000E+00 SASA for atom 18: 0.000000000000E+00 SASA for atom 19: 0.000000000000E+00 SASA for atom 20: 0.000000000000E+00 SASA for atom 21: 0.000000000000E+00 SASA for atom 22: 0.000000000000E+00 SASA for atom 23: 0.000000000000E+00 SASA for atom 24: 0.000000000000E+00 SASA for atom 25: 0.000000000000E+00 SASA for atom 26: 0.000000000000E+00 SASA for atom 27: 0.000000000000E+00 SASA for atom 28: 0.000000000000E+00 SASA for atom 29: 0.000000000000E+00 SASA for atom 30: 0.000000000000E+00 SASA for atom 31: 0.000000000000E+00 SASA for atom 32: 0.000000000000E+00 SASA for atom 33: 0.000000000000E+00 SASA for atom 34: 0.000000000000E+00 SASA for atom 35: 0.000000000000E+00 SASA for atom 36: 0.000000000000E+00 SASA for atom 37: 0.000000000000E+00 SASA for atom 38: 0.000000000000E+00 SASA for atom 39: 0.000000000000E+00 SASA for atom 40: 0.000000000000E+00 SASA for atom 41: 0.000000000000E+00 SASA for atom 42: 0.000000000000E+00 SASA for atom 43: 0.000000000000E+00 SASA for atom 44: 0.000000000000E+00 SASA for atom 45: 0.000000000000E+00 SASA for atom 46: 0.000000000000E+00 SASA for atom 47: 0.000000000000E+00 SASA for atom 48: 0.000000000000E+00 SASA for atom 49: 0.000000000000E+00 SASA for atom 50: 0.000000000000E+00 SASA for atom 51: 0.000000000000E+00 SASA for atom 52: 0.000000000000E+00 SASA for atom 53: 0.000000000000E+00 SASA for atom 54: 0.000000000000E+00 SASA for atom 55: 0.000000000000E+00 SASA for atom 56: 0.000000000000E+00 SASA for atom 57: 0.000000000000E+00 SASA for atom 58: 0.000000000000E+00 SASA for atom 59: 0.000000000000E+00 SASA for atom 60: 0.000000000000E+00 SASA for atom 61: 0.000000000000E+00 SASA for atom 62: 0.000000000000E+00 SASA for atom 63: 0.000000000000E+00 SASA for atom 64: 0.000000000000E+00 SASA for atom 65: 0.000000000000E+00 SASA for atom 66: 0.000000000000E+00 SASA for atom 67: 0.000000000000E+00 SASA for atom 68: 0.000000000000E+00 SASA for atom 69: 0.000000000000E+00 SASA for atom 70: 0.000000000000E+00 SASA for atom 71: 0.000000000000E+00 SASA for atom 72: 0.000000000000E+00 SASA for atom 73: 0.000000000000E+00 SASA for atom 74: 0.000000000000E+00 SASA for atom 75: 0.000000000000E+00 SASA for atom 76: 0.000000000000E+00 SASA for atom 77: 0.000000000000E+00 SASA for atom 78: 0.000000000000E+00 SASA for atom 79: 0.000000000000E+00 SASA for atom 80: 0.000000000000E+00 SASA for atom 81: 0.000000000000E+00 SASA for atom 82: 0.000000000000E+00 SASA for atom 83: 0.000000000000E+00 SASA for atom 84: 0.000000000000E+00 SASA for atom 85: 0.000000000000E+00 SASA for atom 86: 0.000000000000E+00 SASA for atom 87: 0.000000000000E+00 SASA for atom 88: 0.000000000000E+00 SASA for atom 89: 0.000000000000E+00 SASA for atom 90: 0.000000000000E+00 SASA for atom 91: 0.000000000000E+00 SASA for atom 92: 0.000000000000E+00 SASA for atom 93: 0.000000000000E+00 SASA for atom 94: 0.000000000000E+00 SASA for atom 95: 0.000000000000E+00 SASA for atom 96: 0.000000000000E+00 SASA for atom 97: 0.000000000000E+00 SASA for atom 98: 0.000000000000E+00 SASA for atom 99: 0.000000000000E+00 SASA for atom 100: 0.000000000000E+00 SASA for atom 101: 0.000000000000E+00 SASA for atom 102: 0.000000000000E+00 SASA for atom 103: 0.000000000000E+00 SASA for atom 104: 0.000000000000E+00 SASA for atom 105: 0.000000000000E+00 SASA for atom 106: 0.000000000000E+00 SASA for atom 107: 0.000000000000E+00 SASA for atom 108: 0.000000000000E+00 SASA for atom 109: 0.000000000000E+00 SASA for atom 110: 0.000000000000E+00 SASA for atom 111: 0.000000000000E+00 SASA for atom 112: 0.000000000000E+00 SASA for atom 113: 0.000000000000E+00 SASA for atom 114: 0.000000000000E+00 SASA for atom 115: 0.000000000000E+00 SASA for atom 116: 0.000000000000E+00 SASA for atom 117: 0.000000000000E+00 SASA for atom 118: 0.000000000000E+00 SASA for atom 119: 0.000000000000E+00 SASA for atom 120: 0.000000000000E+00 SASA for atom 121: 0.000000000000E+00 SASA for atom 122: 0.000000000000E+00 SASA for atom 123: 0.000000000000E+00 SASA for atom 124: 0.000000000000E+00 SASA for atom 125: 0.000000000000E+00 SASA for atom 126: 0.000000000000E+00 SASA for atom 127: 0.000000000000E+00 SASA for atom 128: 0.000000000000E+00 SASA for atom 129: 0.000000000000E+00 SASA for atom 130: 0.000000000000E+00 SASA for atom 131: 0.000000000000E+00 SASA for atom 132: 0.000000000000E+00 SASA for atom 133: 0.000000000000E+00 SASA for atom 134: 0.000000000000E+00 SASA for atom 135: 0.000000000000E+00 SASA for atom 136: 0.000000000000E+00 SASA for atom 137: 0.000000000000E+00 SASA for atom 138: 0.000000000000E+00 SASA for atom 139: 0.000000000000E+00 SASA for atom 140: 0.000000000000E+00 SASA for atom 141: 0.000000000000E+00 SASA for atom 142: 0.000000000000E+00 SASA for atom 143: 0.000000000000E+00 SASA for atom 144: 0.000000000000E+00 SASA for atom 145: 0.000000000000E+00 SASA for atom 146: 0.000000000000E+00 SASA for atom 147: 0.000000000000E+00 SASA for atom 148: 0.000000000000E+00 SASA for atom 149: 0.000000000000E+00 SASA for atom 150: 0.000000000000E+00 SASA for atom 151: 0.000000000000E+00 SASA for atom 152: 0.000000000000E+00 SASA for atom 153: 0.000000000000E+00 SASA for atom 154: 0.000000000000E+00 SASA for atom 155: 0.000000000000E+00 SASA for atom 156: 0.000000000000E+00 SASA for atom 157: 0.000000000000E+00 SASA for atom 158: 0.000000000000E+00 SASA for atom 159: 0.000000000000E+00 SASA for atom 160: 0.000000000000E+00 SASA for atom 161: 0.000000000000E+00 SASA for atom 162: 0.000000000000E+00 SASA for atom 163: 0.000000000000E+00 SASA for atom 164: 0.000000000000E+00 SASA for atom 165: 0.000000000000E+00 SASA for atom 166: 0.000000000000E+00 SASA for atom 167: 0.000000000000E+00 SASA for atom 168: 0.000000000000E+00 SASA for atom 169: 0.000000000000E+00 SASA for atom 170: 0.000000000000E+00 SASA for atom 171: 0.000000000000E+00 SASA for atom 172: 0.000000000000E+00 SASA for atom 173: 0.000000000000E+00 SASA for atom 174: 0.000000000000E+00 SASA for atom 175: 0.000000000000E+00 SASA for atom 176: 0.000000000000E+00 SASA for atom 177: 0.000000000000E+00 SASA for atom 178: 0.000000000000E+00 SASA for atom 179: 0.000000000000E+00 SASA for atom 180: 0.000000000000E+00 SASA for atom 181: 0.000000000000E+00 SASA for atom 182: 0.000000000000E+00 SASA for atom 183: 0.000000000000E+00 SASA for atom 184: 0.000000000000E+00 SASA for atom 185: 0.000000000000E+00 SASA for atom 186: 0.000000000000E+00 SASA for atom 187: 0.000000000000E+00 SASA for atom 188: 0.000000000000E+00 SASA for atom 189: 0.000000000000E+00 SASA for atom 190: 0.000000000000E+00 SASA for atom 191: 0.000000000000E+00 SASA for atom 192: 0.000000000000E+00 SASA for atom 193: 0.000000000000E+00 SASA for atom 194: 0.000000000000E+00 SASA for atom 195: 0.000000000000E+00 SASA for atom 196: 0.000000000000E+00 SASA for atom 197: 0.000000000000E+00 SASA for atom 198: 0.000000000000E+00 SASA for atom 199: 0.000000000000E+00 SASA for atom 200: 0.000000000000E+00 SASA for atom 201: 0.000000000000E+00 SASA for atom 202: 0.000000000000E+00 SASA for atom 203: 0.000000000000E+00 SASA for atom 204: 0.000000000000E+00 SASA for atom 205: 0.000000000000E+00 SASA for atom 206: 0.000000000000E+00 SASA for atom 207: 0.000000000000E+00 SASA for atom 208: 0.000000000000E+00 SASA for atom 209: 0.000000000000E+00 SASA for atom 210: 0.000000000000E+00 SASA for atom 211: 0.000000000000E+00 SASA for atom 212: 0.000000000000E+00 SASA for atom 213: 0.000000000000E+00 SASA for atom 214: 0.000000000000E+00 SASA for atom 215: 0.000000000000E+00 SASA for atom 216: 0.000000000000E+00 SASA for atom 217: 0.000000000000E+00 SASA for atom 218: 0.000000000000E+00 SASA for atom 219: 0.000000000000E+00 SASA for atom 220: 0.000000000000E+00 SASA for atom 221: 0.000000000000E+00 SASA for atom 222: 0.000000000000E+00 SASA for atom 223: 0.000000000000E+00 SASA for atom 224: 0.000000000000E+00 SASA for atom 225: 0.000000000000E+00 SASA for atom 226: 0.000000000000E+00 SASA for atom 227: 0.000000000000E+00 SASA for atom 228: 0.000000000000E+00 SASA for atom 229: 0.000000000000E+00 SASA for atom 230: 0.000000000000E+00 SASA for atom 231: 0.000000000000E+00 SASA for atom 232: 0.000000000000E+00 SASA for atom 233: 0.000000000000E+00 SASA for atom 234: 0.000000000000E+00 SASA for atom 235: 0.000000000000E+00 SASA for atom 236: 0.000000000000E+00 SASA for atom 237: 0.000000000000E+00 SASA for atom 238: 0.000000000000E+00 SASA for atom 239: 0.000000000000E+00 SASA for atom 240: 0.000000000000E+00 SASA for atom 241: 0.000000000000E+00 SASA for atom 242: 0.000000000000E+00 SASA for atom 243: 0.000000000000E+00 SASA for atom 244: 0.000000000000E+00 SASA for atom 245: 0.000000000000E+00 SASA for atom 246: 0.000000000000E+00 SASA for atom 247: 0.000000000000E+00 SASA for atom 248: 0.000000000000E+00 SASA for atom 249: 0.000000000000E+00 SASA for atom 250: 0.000000000000E+00 SASA for atom 251: 0.000000000000E+00 SASA for atom 252: 0.000000000000E+00 SASA for atom 253: 0.000000000000E+00 SASA for atom 254: 0.000000000000E+00 SASA for atom 255: 0.000000000000E+00 SASA for atom 256: 0.000000000000E+00 SASA for atom 257: 0.000000000000E+00 SASA for atom 258: 0.000000000000E+00 SASA for atom 259: 0.000000000000E+00 SASA for atom 260: 0.000000000000E+00 SASA for atom 261: 0.000000000000E+00 SASA for atom 262: 0.000000000000E+00 SASA for atom 263: 0.000000000000E+00 SASA for atom 264: 0.000000000000E+00 SASA for atom 265: 0.000000000000E+00 SASA for atom 266: 0.000000000000E+00 SASA for atom 267: 0.000000000000E+00 SASA for atom 268: 0.000000000000E+00 SASA for atom 269: 0.000000000000E+00 SASA for atom 270: 0.000000000000E+00 SASA for atom 271: 0.000000000000E+00 SASA for atom 272: 0.000000000000E+00 SASA for atom 273: 0.000000000000E+00 SASA for atom 274: 0.000000000000E+00 SASA for atom 275: 0.000000000000E+00 SASA for atom 276: 0.000000000000E+00 SASA for atom 277: 0.000000000000E+00 SASA for atom 278: 0.000000000000E+00 SASA for atom 279: 0.000000000000E+00 SASA for atom 280: 0.000000000000E+00 SASA for atom 281: 0.000000000000E+00 SASA for atom 282: 0.000000000000E+00 SASA for atom 283: 0.000000000000E+00 SASA for atom 284: 0.000000000000E+00 SASA for atom 285: 0.000000000000E+00 SASA for atom 286: 0.000000000000E+00 SASA for atom 287: 0.000000000000E+00 SASA for atom 288: 0.000000000000E+00 SASA for atom 289: 0.000000000000E+00 SASA for atom 290: 0.000000000000E+00 SASA for atom 291: 0.000000000000E+00 SASA for atom 292: 0.000000000000E+00 SASA for atom 293: 0.000000000000E+00 SASA for atom 294: 0.000000000000E+00 SASA for atom 295: 0.000000000000E+00 SASA for atom 296: 0.000000000000E+00 SASA for atom 297: 0.000000000000E+00 SASA for atom 298: 0.000000000000E+00 SASA for atom 299: 0.000000000000E+00 SASA for atom 300: 0.000000000000E+00 SASA for atom 301: 0.000000000000E+00 SASA for atom 302: 0.000000000000E+00 SASA for atom 303: 0.000000000000E+00 SASA for atom 304: 0.000000000000E+00 SASA for atom 305: 0.000000000000E+00 SASA for atom 306: 0.000000000000E+00 SASA for atom 307: 0.000000000000E+00 SASA for atom 308: 0.000000000000E+00 SASA for atom 309: 0.000000000000E+00 SASA for atom 310: 0.000000000000E+00 SASA for atom 311: 0.000000000000E+00 SASA for atom 312: 0.000000000000E+00 SASA for atom 313: 0.000000000000E+00 SASA for atom 314: 0.000000000000E+00 SASA for atom 315: 0.000000000000E+00 SASA for atom 316: 0.000000000000E+00 SASA for atom 317: 0.000000000000E+00 SASA for atom 318: 0.000000000000E+00 SASA for atom 319: 0.000000000000E+00 SASA for atom 320: 0.000000000000E+00 SASA for atom 321: 0.000000000000E+00 SASA for atom 322: 0.000000000000E+00 SASA for atom 323: 0.000000000000E+00 SASA for atom 324: 0.000000000000E+00 SASA for atom 325: 0.000000000000E+00 SASA for atom 326: 0.000000000000E+00 SASA for atom 327: 0.000000000000E+00 SASA for atom 328: 0.000000000000E+00 SASA for atom 329: 0.000000000000E+00 SASA for atom 330: 0.000000000000E+00 SASA for atom 331: 0.000000000000E+00 SASA for atom 332: 0.000000000000E+00 SASA for atom 333: 0.000000000000E+00 SASA for atom 334: 0.000000000000E+00 SASA for atom 335: 0.000000000000E+00 SASA for atom 336: 0.000000000000E+00 SASA for atom 337: 0.000000000000E+00 SASA for atom 338: 0.000000000000E+00 SASA for atom 339: 0.000000000000E+00 SASA for atom 340: 0.000000000000E+00 SASA for atom 341: 0.000000000000E+00 SASA for atom 342: 0.000000000000E+00 SASA for atom 343: 0.000000000000E+00 SASA for atom 344: 0.000000000000E+00 SASA for atom 345: 0.000000000000E+00 SASA for atom 346: 0.000000000000E+00 SASA for atom 347: 0.000000000000E+00 SASA for atom 348: 0.000000000000E+00 SASA for atom 349: 0.000000000000E+00 SASA for atom 350: 0.000000000000E+00 SASA for atom 351: 0.000000000000E+00 SASA for atom 352: 0.000000000000E+00 SASA for atom 353: 0.000000000000E+00 SASA for atom 354: 0.000000000000E+00 SASA for atom 355: 0.000000000000E+00 SASA for atom 356: 0.000000000000E+00 SASA for atom 357: 0.000000000000E+00 SASA for atom 358: 0.000000000000E+00 SASA for atom 359: 0.000000000000E+00 SASA for atom 360: 0.000000000000E+00 SASA for atom 361: 0.000000000000E+00 SASA for atom 362: 0.000000000000E+00 SASA for atom 363: 0.000000000000E+00 SASA for atom 364: 0.000000000000E+00 SASA for atom 365: 0.000000000000E+00 SASA for atom 366: 0.000000000000E+00 SASA for atom 367: 0.000000000000E+00 SASA for atom 368: 0.000000000000E+00 SASA for atom 369: 0.000000000000E+00 SASA for atom 370: 0.000000000000E+00 SASA for atom 371: 0.000000000000E+00 SASA for atom 372: 0.000000000000E+00 SASA for atom 373: 0.000000000000E+00 SASA for atom 374: 0.000000000000E+00 SASA for atom 375: 0.000000000000E+00 SASA for atom 376: 0.000000000000E+00 SASA for atom 377: 0.000000000000E+00 SASA for atom 378: 0.000000000000E+00 SASA for atom 379: 0.000000000000E+00 SASA for atom 380: 0.000000000000E+00 SASA for atom 381: 0.000000000000E+00 SASA for atom 382: 0.000000000000E+00 SASA for atom 383: 0.000000000000E+00 SASA for atom 384: 0.000000000000E+00 SASA for atom 385: 0.000000000000E+00 SASA for atom 386: 0.000000000000E+00 SASA for atom 387: 0.000000000000E+00 SASA for atom 388: 0.000000000000E+00 SASA for atom 389: 0.000000000000E+00 SASA for atom 390: 0.000000000000E+00 SASA for atom 391: 0.000000000000E+00 SASA for atom 392: 0.000000000000E+00 SASA for atom 393: 0.000000000000E+00 SASA for atom 394: 0.000000000000E+00 SASA for atom 395: 0.000000000000E+00 SASA for atom 396: 0.000000000000E+00 SASA for atom 397: 0.000000000000E+00 SASA for atom 398: 0.000000000000E+00 SASA for atom 399: 0.000000000000E+00 SASA for atom 400: 0.000000000000E+00 SASA for atom 401: 0.000000000000E+00 SASA for atom 402: 0.000000000000E+00 SASA for atom 403: 0.000000000000E+00 SASA for atom 404: 0.000000000000E+00 SASA for atom 405: 0.000000000000E+00 SASA for atom 406: 0.000000000000E+00 SASA for atom 407: 0.000000000000E+00 SASA for atom 408: 0.000000000000E+00 SASA for atom 409: 0.000000000000E+00 SASA for atom 410: 0.000000000000E+00 SASA for atom 411: 0.000000000000E+00 SASA for atom 412: 0.000000000000E+00 SASA for atom 413: 0.000000000000E+00 SASA for atom 414: 0.000000000000E+00 SASA for atom 415: 0.000000000000E+00 SASA for atom 416: 0.000000000000E+00 SASA for atom 417: 0.000000000000E+00 SASA for atom 418: 0.000000000000E+00 SASA for atom 419: 0.000000000000E+00 SASA for atom 420: 0.000000000000E+00 SASA for atom 421: 0.000000000000E+00 SASA for atom 422: 0.000000000000E+00 SASA for atom 423: 0.000000000000E+00 SASA for atom 424: 0.000000000000E+00 SASA for atom 425: 0.000000000000E+00 SASA for atom 426: 0.000000000000E+00 SASA for atom 427: 0.000000000000E+00 SASA for atom 428: 0.000000000000E+00 SASA for atom 429: 0.000000000000E+00 SASA for atom 430: 0.000000000000E+00 SASA for atom 431: 0.000000000000E+00 SASA for atom 432: 0.000000000000E+00 SASA for atom 433: 0.000000000000E+00 SASA for atom 434: 0.000000000000E+00 SASA for atom 435: 0.000000000000E+00 SASA for atom 436: 0.000000000000E+00 SASA for atom 437: 0.000000000000E+00 SASA for atom 438: 0.000000000000E+00 SASA for atom 439: 0.000000000000E+00 SASA for atom 440: 0.000000000000E+00 SASA for atom 441: 0.000000000000E+00 SASA for atom 442: 0.000000000000E+00 SASA for atom 443: 0.000000000000E+00 SASA for atom 444: 0.000000000000E+00 SASA for atom 445: 0.000000000000E+00 SASA for atom 446: 0.000000000000E+00 SASA for atom 447: 0.000000000000E+00 SASA for atom 448: 0.000000000000E+00 SASA for atom 449: 0.000000000000E+00 SASA for atom 450: 0.000000000000E+00 SASA for atom 451: 0.000000000000E+00 SASA for atom 452: 0.000000000000E+00 SASA for atom 453: 0.000000000000E+00 SASA for atom 454: 0.000000000000E+00 SASA for atom 455: 0.000000000000E+00 SASA for atom 456: 0.000000000000E+00 SASA for atom 457: 0.000000000000E+00 SASA for atom 458: 0.000000000000E+00 SASA for atom 459: 0.000000000000E+00 SASA for atom 460: 0.000000000000E+00 SASA for atom 461: 0.000000000000E+00 SASA for atom 462: 0.000000000000E+00 SASA for atom 463: 0.000000000000E+00 SASA for atom 464: 0.000000000000E+00 SASA for atom 465: 0.000000000000E+00 SASA for atom 466: 0.000000000000E+00 SASA for atom 467: 0.000000000000E+00 SASA for atom 468: 0.000000000000E+00 SASA for atom 469: 0.000000000000E+00 SASA for atom 470: 0.000000000000E+00 SASA for atom 471: 0.000000000000E+00 SASA for atom 472: 0.000000000000E+00 SASA for atom 473: 0.000000000000E+00 SASA for atom 474: 0.000000000000E+00 SASA for atom 475: 0.000000000000E+00 SASA for atom 476: 0.000000000000E+00 SASA for atom 477: 0.000000000000E+00 SASA for atom 478: 0.000000000000E+00 SASA for atom 479: 0.000000000000E+00 SASA for atom 480: 0.000000000000E+00 SASA for atom 481: 0.000000000000E+00 SASA for atom 482: 0.000000000000E+00 SASA for atom 483: 0.000000000000E+00 SASA for atom 484: 0.000000000000E+00 SASA for atom 485: 0.000000000000E+00 SASA for atom 486: 0.000000000000E+00 SASA for atom 487: 0.000000000000E+00 SASA for atom 488: 0.000000000000E+00 SASA for atom 489: 0.000000000000E+00 SASA for atom 490: 0.000000000000E+00 SASA for atom 491: 0.000000000000E+00 SASA for atom 492: 0.000000000000E+00 SASA for atom 493: 0.000000000000E+00 SASA for atom 494: 0.000000000000E+00 SASA for atom 495: 0.000000000000E+00 SASA for atom 496: 0.000000000000E+00 SASA for atom 497: 0.000000000000E+00 SASA for atom 498: 0.000000000000E+00 SASA for atom 499: 0.000000000000E+00 SASA for atom 500: 0.000000000000E+00 SASA for atom 501: 0.000000000000E+00 SASA for atom 502: 0.000000000000E+00 SASA for atom 503: 0.000000000000E+00 SASA for atom 504: 0.000000000000E+00 SASA for atom 505: 0.000000000000E+00 SASA for atom 506: 0.000000000000E+00 SASA for atom 507: 0.000000000000E+00 SASA for atom 508: 0.000000000000E+00 SASA for atom 509: 0.000000000000E+00 SASA for atom 510: 0.000000000000E+00 SASA for atom 511: 0.000000000000E+00 SASA for atom 512: 0.000000000000E+00 SASA for atom 513: 0.000000000000E+00 SASA for atom 514: 0.000000000000E+00 SASA for atom 515: 0.000000000000E+00 SASA for atom 516: 0.000000000000E+00 SASA for atom 517: 0.000000000000E+00 SASA for atom 518: 0.000000000000E+00 SASA for atom 519: 0.000000000000E+00 SASA for atom 520: 0.000000000000E+00 SASA for atom 521: 0.000000000000E+00 SASA for atom 522: 0.000000000000E+00 SASA for atom 523: 0.000000000000E+00 SASA for atom 524: 0.000000000000E+00 SASA for atom 525: 0.000000000000E+00 SASA for atom 526: 0.000000000000E+00 SASA for atom 527: 0.000000000000E+00 SASA for atom 528: 0.000000000000E+00 SASA for atom 529: 0.000000000000E+00 SASA for atom 530: 0.000000000000E+00 SASA for atom 531: 0.000000000000E+00 SASA for atom 532: 0.000000000000E+00 SASA for atom 533: 0.000000000000E+00 SASA for atom 534: 0.000000000000E+00 SASA for atom 535: 0.000000000000E+00 SASA for atom 536: 0.000000000000E+00 SASA for atom 537: 0.000000000000E+00 SASA for atom 538: 0.000000000000E+00 SASA for atom 539: 0.000000000000E+00 SASA for atom 540: 0.000000000000E+00 SASA for atom 541: 0.000000000000E+00 SASA for atom 542: 0.000000000000E+00 SASA for atom 543: 0.000000000000E+00 SASA for atom 544: 0.000000000000E+00 SASA for atom 545: 0.000000000000E+00 SASA for atom 546: 0.000000000000E+00 SASA for atom 547: 0.000000000000E+00 SASA for atom 548: 0.000000000000E+00 SASA for atom 549: 0.000000000000E+00 SASA for atom 550: 0.000000000000E+00 SASA for atom 551: 0.000000000000E+00 SASA for atom 552: 0.000000000000E+00 SASA for atom 553: 0.000000000000E+00 SASA for atom 554: 0.000000000000E+00 SASA for atom 555: 0.000000000000E+00 SASA for atom 556: 0.000000000000E+00 SASA for atom 557: 0.000000000000E+00 SASA for atom 558: 0.000000000000E+00 SASA for atom 559: 0.000000000000E+00 SASA for atom 560: 0.000000000000E+00 SASA for atom 561: 0.000000000000E+00 SASA for atom 562: 0.000000000000E+00 SASA for atom 563: 0.000000000000E+00 SASA for atom 564: 0.000000000000E+00 SASA for atom 565: 0.000000000000E+00 SASA for atom 566: 0.000000000000E+00 SASA for atom 567: 0.000000000000E+00 SASA for atom 568: 0.000000000000E+00 SASA for atom 569: 0.000000000000E+00 SASA for atom 570: 0.000000000000E+00 SASA for atom 571: 0.000000000000E+00 SASA for atom 572: 0.000000000000E+00 SASA for atom 573: 0.000000000000E+00 SASA for atom 574: 0.000000000000E+00 SASA for atom 575: 0.000000000000E+00 SASA for atom 576: 0.000000000000E+00 SASA for atom 577: 0.000000000000E+00 SASA for atom 578: 0.000000000000E+00 SASA for atom 579: 0.000000000000E+00 SASA for atom 580: 0.000000000000E+00 SASA for atom 581: 0.000000000000E+00 SASA for atom 582: 0.000000000000E+00 SASA for atom 583: 0.000000000000E+00 SASA for atom 584: 0.000000000000E+00 SASA for atom 585: 0.000000000000E+00 SASA for atom 586: 0.000000000000E+00 SASA for atom 587: 0.000000000000E+00 SASA for atom 588: 0.000000000000E+00 SASA for atom 589: 0.000000000000E+00 SASA for atom 590: 0.000000000000E+00 SASA for atom 591: 0.000000000000E+00 SASA for atom 592: 0.000000000000E+00 SASA for atom 593: 0.000000000000E+00 SASA for atom 594: 0.000000000000E+00 SASA for atom 595: 0.000000000000E+00 SASA for atom 596: 0.000000000000E+00 SASA for atom 597: 0.000000000000E+00 SASA for atom 598: 0.000000000000E+00 SASA for atom 599: 0.000000000000E+00 SASA for atom 600: 0.000000000000E+00 SASA for atom 601: 0.000000000000E+00 SASA for atom 602: 0.000000000000E+00 SASA for atom 603: 0.000000000000E+00 SASA for atom 604: 0.000000000000E+00 SASA for atom 605: 0.000000000000E+00 SASA for atom 606: 0.000000000000E+00 SASA for atom 607: 0.000000000000E+00 SASA for atom 608: 0.000000000000E+00 SASA for atom 609: 0.000000000000E+00 SASA for atom 610: 0.000000000000E+00 SASA for atom 611: 0.000000000000E+00 SASA for atom 612: 0.000000000000E+00 SASA for atom 613: 0.000000000000E+00 SASA for atom 614: 0.000000000000E+00 SASA for atom 615: 0.000000000000E+00 SASA for atom 616: 0.000000000000E+00 SASA for atom 617: 0.000000000000E+00 SASA for atom 618: 0.000000000000E+00 SASA for atom 619: 0.000000000000E+00 SASA for atom 620: 0.000000000000E+00 SASA for atom 621: 0.000000000000E+00 SASA for atom 622: 0.000000000000E+00 SASA for atom 623: 0.000000000000E+00 SASA for atom 624: 0.000000000000E+00 SASA for atom 625: 0.000000000000E+00 SASA for atom 626: 0.000000000000E+00 SASA for atom 627: 0.000000000000E+00 SASA for atom 628: 0.000000000000E+00 SASA for atom 629: 0.000000000000E+00 SASA for atom 630: 0.000000000000E+00 SASA for atom 631: 0.000000000000E+00 SASA for atom 632: 0.000000000000E+00 SASA for atom 633: 0.000000000000E+00 SASA for atom 634: 0.000000000000E+00 SASA for atom 635: 0.000000000000E+00 SASA for atom 636: 0.000000000000E+00 SASA for atom 637: 0.000000000000E+00 SASA for atom 638: 0.000000000000E+00 SASA for atom 639: 0.000000000000E+00 SASA for atom 640: 0.000000000000E+00 SASA for atom 641: 0.000000000000E+00 SASA for atom 642: 0.000000000000E+00 SASA for atom 643: 0.000000000000E+00 SASA for atom 644: 0.000000000000E+00 SASA for atom 645: 0.000000000000E+00 SASA for atom 646: 0.000000000000E+00 SASA for atom 647: 0.000000000000E+00 SASA for atom 648: 0.000000000000E+00 SASA for atom 649: 0.000000000000E+00 SASA for atom 650: 0.000000000000E+00 SASA for atom 651: 0.000000000000E+00 SASA for atom 652: 0.000000000000E+00 SASA for atom 653: 0.000000000000E+00 SASA for atom 654: 0.000000000000E+00 SASA for atom 655: 0.000000000000E+00 SASA for atom 656: 0.000000000000E+00 SASA for atom 657: 0.000000000000E+00 SASA for atom 658: 0.000000000000E+00 SASA for atom 659: 0.000000000000E+00 SASA for atom 660: 0.000000000000E+00 SASA for atom 661: 0.000000000000E+00 SASA for atom 662: 0.000000000000E+00 SASA for atom 663: 0.000000000000E+00 SASA for atom 664: 0.000000000000E+00 SASA for atom 665: 0.000000000000E+00 SASA for atom 666: 0.000000000000E+00 SASA for atom 667: 0.000000000000E+00 SASA for atom 668: 0.000000000000E+00 SASA for atom 669: 0.000000000000E+00 SASA for atom 670: 0.000000000000E+00 SASA for atom 671: 0.000000000000E+00 SASA for atom 672: 0.000000000000E+00 SASA for atom 673: 0.000000000000E+00 SASA for atom 674: 0.000000000000E+00 SASA for atom 675: 0.000000000000E+00 SASA for atom 676: 0.000000000000E+00 SASA for atom 677: 0.000000000000E+00 SASA for atom 678: 0.000000000000E+00 SASA for atom 679: 0.000000000000E+00 SASA for atom 680: 0.000000000000E+00 SASA for atom 681: 0.000000000000E+00 SASA for atom 682: 0.000000000000E+00 SASA for atom 683: 0.000000000000E+00 SASA for atom 684: 0.000000000000E+00 SASA for atom 685: 0.000000000000E+00 SASA for atom 686: 0.000000000000E+00 SASA for atom 687: 0.000000000000E+00 SASA for atom 688: 0.000000000000E+00 SASA for atom 689: 0.000000000000E+00 SASA for atom 690: 0.000000000000E+00 SASA for atom 691: 0.000000000000E+00 SASA for atom 692: 0.000000000000E+00 SASA for atom 693: 0.000000000000E+00 SASA for atom 694: 0.000000000000E+00 SASA for atom 695: 0.000000000000E+00 SASA for atom 696: 0.000000000000E+00 SASA for atom 697: 0.000000000000E+00 SASA for atom 698: 0.000000000000E+00 SASA for atom 699: 0.000000000000E+00 SASA for atom 700: 0.000000000000E+00 SASA for atom 701: 0.000000000000E+00 SASA for atom 702: 0.000000000000E+00 SASA for atom 703: 0.000000000000E+00 SASA for atom 704: 0.000000000000E+00 SASA for atom 705: 0.000000000000E+00 SASA for atom 706: 0.000000000000E+00 SASA for atom 707: 0.000000000000E+00 SASA for atom 708: 0.000000000000E+00 SASA for atom 709: 0.000000000000E+00 SASA for atom 710: 0.000000000000E+00 SASA for atom 711: 0.000000000000E+00 SASA for atom 712: 0.000000000000E+00 SASA for atom 713: 0.000000000000E+00 SASA for atom 714: 0.000000000000E+00 SASA for atom 715: 0.000000000000E+00 SASA for atom 716: 0.000000000000E+00 SASA for atom 717: 0.000000000000E+00 SASA for atom 718: 0.000000000000E+00 SASA for atom 719: 0.000000000000E+00 SASA for atom 720: 0.000000000000E+00 SASA for atom 721: 0.000000000000E+00 SASA for atom 722: 0.000000000000E+00 SASA for atom 723: 0.000000000000E+00 SASA for atom 724: 0.000000000000E+00 SASA for atom 725: 0.000000000000E+00 SASA for atom 726: 0.000000000000E+00 SASA for atom 727: 0.000000000000E+00 SASA for atom 728: 0.000000000000E+00 SASA for atom 729: 0.000000000000E+00 SASA for atom 730: 0.000000000000E+00 SASA for atom 731: 0.000000000000E+00 SASA for atom 732: 0.000000000000E+00 SASA for atom 733: 0.000000000000E+00 SASA for atom 734: 0.000000000000E+00 SASA for atom 735: 0.000000000000E+00 SASA for atom 736: 0.000000000000E+00 SASA for atom 737: 0.000000000000E+00 SASA for atom 738: 0.000000000000E+00 SASA for atom 739: 0.000000000000E+00 SASA for atom 740: 0.000000000000E+00 SASA for atom 741: 0.000000000000E+00 SASA for atom 742: 0.000000000000E+00 SASA for atom 743: 0.000000000000E+00 SASA for atom 744: 0.000000000000E+00 SASA for atom 745: 0.000000000000E+00 SASA for atom 746: 0.000000000000E+00 SASA for atom 747: 0.000000000000E+00 SASA for atom 748: 0.000000000000E+00 SASA for atom 749: 0.000000000000E+00 SASA for atom 750: 0.000000000000E+00 SASA for atom 751: 0.000000000000E+00 SASA for atom 752: 0.000000000000E+00 SASA for atom 753: 0.000000000000E+00 SASA for atom 754: 0.000000000000E+00 SASA for atom 755: 0.000000000000E+00 SASA for atom 756: 0.000000000000E+00 SASA for atom 757: 0.000000000000E+00 SASA for atom 758: 0.000000000000E+00 SASA for atom 759: 0.000000000000E+00 SASA for atom 760: 0.000000000000E+00 SASA for atom 761: 0.000000000000E+00 SASA for atom 762: 0.000000000000E+00 SASA for atom 763: 0.000000000000E+00 SASA for atom 764: 0.000000000000E+00 SASA for atom 765: 0.000000000000E+00 SASA for atom 766: 0.000000000000E+00 SASA for atom 767: 0.000000000000E+00 SASA for atom 768: 0.000000000000E+00 SASA for atom 769: 0.000000000000E+00 SASA for atom 770: 0.000000000000E+00 SASA for atom 771: 0.000000000000E+00 SASA for atom 772: 0.000000000000E+00 SASA for atom 773: 0.000000000000E+00 SASA for atom 774: 0.000000000000E+00 SASA for atom 775: 0.000000000000E+00 SASA for atom 776: 0.000000000000E+00 SASA for atom 777: 0.000000000000E+00 SASA for atom 778: 0.000000000000E+00 SASA for atom 779: 0.000000000000E+00 SASA for atom 780: 0.000000000000E+00 SASA for atom 781: 0.000000000000E+00 SASA for atom 782: 0.000000000000E+00 SASA for atom 783: 0.000000000000E+00 SASA for atom 784: 0.000000000000E+00 SASA for atom 785: 0.000000000000E+00 SASA for atom 786: 0.000000000000E+00 SASA for atom 787: 0.000000000000E+00 SASA for atom 788: 0.000000000000E+00 SASA for atom 789: 0.000000000000E+00 SASA for atom 790: 0.000000000000E+00 SASA for atom 791: 0.000000000000E+00 SASA for atom 792: 0.000000000000E+00 SASA for atom 793: 0.000000000000E+00 SASA for atom 794: 0.000000000000E+00 SASA for atom 795: 0.000000000000E+00 SASA for atom 796: 0.000000000000E+00 SASA for atom 797: 0.000000000000E+00 SASA for atom 798: 0.000000000000E+00 SASA for atom 799: 0.000000000000E+00 SASA for atom 800: 0.000000000000E+00 SASA for atom 801: 0.000000000000E+00 SASA for atom 802: 0.000000000000E+00 SASA for atom 803: 0.000000000000E+00 SASA for atom 804: 0.000000000000E+00 SASA for atom 805: 0.000000000000E+00 SASA for atom 806: 0.000000000000E+00 SASA for atom 807: 0.000000000000E+00 SASA for atom 808: 0.000000000000E+00 SASA for atom 809: 0.000000000000E+00 SASA for atom 810: 0.000000000000E+00 SASA for atom 811: 0.000000000000E+00 SASA for atom 812: 0.000000000000E+00 SASA for atom 813: 0.000000000000E+00 SASA for atom 814: 0.000000000000E+00 SASA for atom 815: 0.000000000000E+00 SASA for atom 816: 0.000000000000E+00 SASA for atom 817: 0.000000000000E+00 SASA for atom 818: 0.000000000000E+00 SASA for atom 819: 0.000000000000E+00 SASA for atom 820: 0.000000000000E+00 SASA for atom 821: 0.000000000000E+00 SASA for atom 822: 0.000000000000E+00 SASA for atom 823: 0.000000000000E+00 SASA for atom 824: 0.000000000000E+00 SASA for atom 825: 0.000000000000E+00 SASA for atom 826: 0.000000000000E+00 SASA for atom 827: 0.000000000000E+00 SASA for atom 828: 0.000000000000E+00 SASA for atom 829: 0.000000000000E+00 SASA for atom 830: 0.000000000000E+00 SASA for atom 831: 0.000000000000E+00 SASA for atom 832: 0.000000000000E+00 SASA for atom 833: 0.000000000000E+00 SASA for atom 834: 0.000000000000E+00 SASA for atom 835: 0.000000000000E+00 SASA for atom 836: 0.000000000000E+00 SASA for atom 837: 0.000000000000E+00 SASA for atom 838: 0.000000000000E+00 SASA for atom 839: 0.000000000000E+00 SASA for atom 840: 0.000000000000E+00 SASA for atom 841: 0.000000000000E+00 SASA for atom 842: 0.000000000000E+00 SASA for atom 843: 0.000000000000E+00 SASA for atom 844: 0.000000000000E+00 SASA for atom 845: 0.000000000000E+00 SASA for atom 846: 0.000000000000E+00 SASA for atom 847: 0.000000000000E+00 SASA for atom 848: 0.000000000000E+00 SASA for atom 849: 0.000000000000E+00 SASA for atom 850: 0.000000000000E+00 SASA for atom 851: 0.000000000000E+00 SASA for atom 852: 0.000000000000E+00 SASA for atom 853: 0.000000000000E+00 SASA for atom 854: 0.000000000000E+00 SASA for atom 855: 0.000000000000E+00 SASA for atom 856: 0.000000000000E+00 SASA for atom 857: 0.000000000000E+00 SASA for atom 858: 0.000000000000E+00 SASA for atom 859: 0.000000000000E+00 SASA for atom 860: 0.000000000000E+00 SASA for atom 861: 0.000000000000E+00 SASA for atom 862: 0.000000000000E+00 SASA for atom 863: 0.000000000000E+00 SASA for atom 864: 0.000000000000E+00 SASA for atom 865: 0.000000000000E+00 SASA for atom 866: 0.000000000000E+00 SASA for atom 867: 0.000000000000E+00 SASA for atom 868: 0.000000000000E+00 SASA for atom 869: 0.000000000000E+00 SASA for atom 870: 0.000000000000E+00 SASA for atom 871: 0.000000000000E+00 SASA for atom 872: 0.000000000000E+00 SASA for atom 873: 0.000000000000E+00 SASA for atom 874: 0.000000000000E+00 SASA for atom 875: 0.000000000000E+00 SASA for atom 876: 0.000000000000E+00 SASA for atom 877: 0.000000000000E+00 SASA for atom 878: 0.000000000000E+00 SASA for atom 879: 0.000000000000E+00 SASA for atom 880: 0.000000000000E+00 SASA for atom 881: 0.000000000000E+00 SASA for atom 882: 0.000000000000E+00 SASA for atom 883: 0.000000000000E+00 SASA for atom 884: 0.000000000000E+00 SASA for atom 885: 0.000000000000E+00 SASA for atom 886: 0.000000000000E+00 SASA for atom 887: 0.000000000000E+00 SASA for atom 888: 0.000000000000E+00 SASA for atom 889: 0.000000000000E+00 SASA for atom 890: 0.000000000000E+00 SASA for atom 891: 0.000000000000E+00 SASA for atom 892: 0.000000000000E+00 SASA for atom 893: 0.000000000000E+00 SASA for atom 894: 0.000000000000E+00 SASA for atom 895: 0.000000000000E+00 SASA for atom 896: 0.000000000000E+00 SASA for atom 897: 0.000000000000E+00 SASA for atom 898: 0.000000000000E+00 SASA for atom 899: 0.000000000000E+00 SASA for atom 900: 0.000000000000E+00 SASA for atom 901: 0.000000000000E+00 SASA for atom 902: 0.000000000000E+00 SASA for atom 903: 0.000000000000E+00 SASA for atom 904: 0.000000000000E+00 SASA for atom 905: 0.000000000000E+00 SASA for atom 906: 0.000000000000E+00 SASA for atom 907: 0.000000000000E+00 SASA for atom 908: 0.000000000000E+00 SASA for atom 909: 0.000000000000E+00 SASA for atom 910: 0.000000000000E+00 SASA for atom 911: 0.000000000000E+00 SASA for atom 912: 0.000000000000E+00 SASA for atom 913: 0.000000000000E+00 SASA for atom 914: 0.000000000000E+00 SASA for atom 915: 0.000000000000E+00 SASA for atom 916: 0.000000000000E+00 SASA for atom 917: 0.000000000000E+00 SASA for atom 918: 0.000000000000E+00 SASA for atom 919: 0.000000000000E+00 SASA for atom 920: 0.000000000000E+00 SASA for atom 921: 0.000000000000E+00 SASA for atom 922: 0.000000000000E+00 SASA for atom 923: 0.000000000000E+00 SASA for atom 924: 0.000000000000E+00 SASA for atom 925: 0.000000000000E+00 SASA for atom 926: 0.000000000000E+00 SASA for atom 927: 0.000000000000E+00 SASA for atom 928: 0.000000000000E+00 SASA for atom 929: 0.000000000000E+00 SASA for atom 930: 0.000000000000E+00 SASA for atom 931: 0.000000000000E+00 SASA for atom 932: 0.000000000000E+00 SASA for atom 933: 0.000000000000E+00 SASA for atom 934: 0.000000000000E+00 SASA for atom 935: 0.000000000000E+00 SASA for atom 936: 0.000000000000E+00 SASA for atom 937: 0.000000000000E+00 SASA for atom 938: 0.000000000000E+00 SASA for atom 939: 0.000000000000E+00 SASA for atom 940: 0.000000000000E+00 SASA for atom 941: 0.000000000000E+00 SASA for atom 942: 0.000000000000E+00 SASA for atom 943: 0.000000000000E+00 SASA for atom 944: 0.000000000000E+00 SASA for atom 945: 0.000000000000E+00 SASA for atom 946: 0.000000000000E+00 SASA for atom 947: 0.000000000000E+00 SASA for atom 948: 0.000000000000E+00 SASA for atom 949: 0.000000000000E+00 SASA for atom 950: 0.000000000000E+00 SASA for atom 951: 0.000000000000E+00 SASA for atom 952: 0.000000000000E+00 SASA for atom 953: 0.000000000000E+00 SASA for atom 954: 0.000000000000E+00 SASA for atom 955: 0.000000000000E+00 SASA for atom 956: 0.000000000000E+00 SASA for atom 957: 0.000000000000E+00 SASA for atom 958: 0.000000000000E+00 SASA for atom 959: 0.000000000000E+00 SASA for atom 960: 0.000000000000E+00 SASA for atom 961: 0.000000000000E+00 SASA for atom 962: 0.000000000000E+00 SASA for atom 963: 0.000000000000E+00 SASA for atom 964: 0.000000000000E+00 SASA for atom 965: 0.000000000000E+00 SASA for atom 966: 0.000000000000E+00 SASA for atom 967: 0.000000000000E+00 SASA for atom 968: 0.000000000000E+00 SASA for atom 969: 0.000000000000E+00 SASA for atom 970: 0.000000000000E+00 SASA for atom 971: 0.000000000000E+00 SASA for atom 972: 0.000000000000E+00 SASA for atom 973: 0.000000000000E+00 SASA for atom 974: 0.000000000000E+00 SASA for atom 975: 0.000000000000E+00 SASA for atom 976: 0.000000000000E+00 SASA for atom 977: 0.000000000000E+00 SASA for atom 978: 0.000000000000E+00 SASA for atom 979: 0.000000000000E+00 SASA for atom 980: 0.000000000000E+00 SASA for atom 981: 0.000000000000E+00 SASA for atom 982: 0.000000000000E+00 SASA for atom 983: 0.000000000000E+00 SASA for atom 984: 0.000000000000E+00 SASA for atom 985: 0.000000000000E+00 SASA for atom 986: 0.000000000000E+00 SASA for atom 987: 0.000000000000E+00 SASA for atom 988: 0.000000000000E+00 SASA for atom 989: 0.000000000000E+00 SASA for atom 990: 0.000000000000E+00 SASA for atom 991: 0.000000000000E+00 SASA for atom 992: 0.000000000000E+00 SASA for atom 993: 0.000000000000E+00 SASA for atom 994: 0.000000000000E+00 SASA for atom 995: 0.000000000000E+00 SASA for atom 996: 0.000000000000E+00 SASA for atom 997: 0.000000000000E+00 SASA for atom 998: 0.000000000000E+00 SASA for atom 999: 0.000000000000E+00 SASA for atom 1000: 0.000000000000E+00 SASA for atom 1001: 0.000000000000E+00 SASA for atom 1002: 0.000000000000E+00 SASA for atom 1003: 0.000000000000E+00 SASA for atom 1004: 0.000000000000E+00 SASA for atom 1005: 0.000000000000E+00 SASA for atom 1006: 0.000000000000E+00 SASA for atom 1007: 0.000000000000E+00 SASA for atom 1008: 0.000000000000E+00 SASA for atom 1009: 0.000000000000E+00 SASA for atom 1010: 0.000000000000E+00 SASA for atom 1011: 0.000000000000E+00 SASA for atom 1012: 0.000000000000E+00 SASA for atom 1013: 0.000000000000E+00 SASA for atom 1014: 0.000000000000E+00 SASA for atom 1015: 0.000000000000E+00 SASA for atom 1016: 0.000000000000E+00 SASA for atom 1017: 0.000000000000E+00 SASA for atom 1018: 0.000000000000E+00 SASA for atom 1019: 0.000000000000E+00 SASA for atom 1020: 0.000000000000E+00 SASA for atom 1021: 0.000000000000E+00 SASA for atom 1022: 0.000000000000E+00 SASA for atom 1023: 0.000000000000E+00 SASA for atom 1024: 0.000000000000E+00 SASA for atom 1025: 0.000000000000E+00 SASA for atom 1026: 0.000000000000E+00 SASA for atom 1027: 0.000000000000E+00 SASA for atom 1028: 0.000000000000E+00 SASA for atom 1029: 0.000000000000E+00 SASA for atom 1030: 0.000000000000E+00 SASA for atom 1031: 0.000000000000E+00 SASA for atom 1032: 0.000000000000E+00 SASA for atom 1033: 0.000000000000E+00 SASA for atom 1034: 0.000000000000E+00 SASA for atom 1035: 0.000000000000E+00 SASA for atom 1036: 0.000000000000E+00 SASA for atom 1037: 0.000000000000E+00 SASA for atom 1038: 0.000000000000E+00 SASA for atom 1039: 0.000000000000E+00 SASA for atom 1040: 0.000000000000E+00 SASA for atom 1041: 0.000000000000E+00 SASA for atom 1042: 0.000000000000E+00 SASA for atom 1043: 0.000000000000E+00 SASA for atom 1044: 0.000000000000E+00 SASA for atom 1045: 0.000000000000E+00 SASA for atom 1046: 0.000000000000E+00 SASA for atom 1047: 0.000000000000E+00 SASA for atom 1048: 0.000000000000E+00 SASA for atom 1049: 0.000000000000E+00 SASA for atom 1050: 0.000000000000E+00 SASA for atom 1051: 0.000000000000E+00 SASA for atom 1052: 0.000000000000E+00 SASA for atom 1053: 0.000000000000E+00 SASA for atom 1054: 0.000000000000E+00 SASA for atom 1055: 0.000000000000E+00 SASA for atom 1056: 0.000000000000E+00 SASA for atom 1057: 0.000000000000E+00 SASA for atom 1058: 0.000000000000E+00 SASA for atom 1059: 0.000000000000E+00 SASA for atom 1060: 0.000000000000E+00 SASA for atom 1061: 0.000000000000E+00 SASA for atom 1062: 0.000000000000E+00 SASA for atom 1063: 0.000000000000E+00 SASA for atom 1064: 0.000000000000E+00 SASA for atom 1065: 0.000000000000E+00 SASA for atom 1066: 0.000000000000E+00 SASA for atom 1067: 0.000000000000E+00 SASA for atom 1068: 0.000000000000E+00 SASA for atom 1069: 0.000000000000E+00 SASA for atom 1070: 0.000000000000E+00 SASA for atom 1071: 0.000000000000E+00 SASA for atom 1072: 0.000000000000E+00 SASA for atom 1073: 0.000000000000E+00 SASA for atom 1074: 0.000000000000E+00 SASA for atom 1075: 0.000000000000E+00 SASA for atom 1076: 0.000000000000E+00 SASA for atom 1077: 0.000000000000E+00 SASA for atom 1078: 0.000000000000E+00 SASA for atom 1079: 0.000000000000E+00 SASA for atom 1080: 0.000000000000E+00 SASA for atom 1081: 0.000000000000E+00 SASA for atom 1082: 0.000000000000E+00 SASA for atom 1083: 0.000000000000E+00 SASA for atom 1084: 0.000000000000E+00 SASA for atom 1085: 0.000000000000E+00 SASA for atom 1086: 0.000000000000E+00 SASA for atom 1087: 0.000000000000E+00 SASA for atom 1088: 0.000000000000E+00 SASA for atom 1089: 0.000000000000E+00 SASA for atom 1090: 0.000000000000E+00 SASA for atom 1091: 0.000000000000E+00 SASA for atom 1092: 0.000000000000E+00 SASA for atom 1093: 0.000000000000E+00 SASA for atom 1094: 0.000000000000E+00 SASA for atom 1095: 0.000000000000E+00 SASA for atom 1096: 0.000000000000E+00 SASA for atom 1097: 0.000000000000E+00 SASA for atom 1098: 0.000000000000E+00 SASA for atom 1099: 0.000000000000E+00 SASA for atom 1100: 0.000000000000E+00 SASA for atom 1101: 0.000000000000E+00 SASA for atom 1102: 0.000000000000E+00 SASA for atom 1103: 0.000000000000E+00 SASA for atom 1104: 0.000000000000E+00 SASA for atom 1105: 0.000000000000E+00 SASA for atom 1106: 0.000000000000E+00 SASA for atom 1107: 0.000000000000E+00 SASA for atom 1108: 0.000000000000E+00 SASA for atom 1109: 0.000000000000E+00 SASA for atom 1110: 0.000000000000E+00 SASA for atom 1111: 0.000000000000E+00 SASA for atom 1112: 0.000000000000E+00 SASA for atom 1113: 0.000000000000E+00 SASA for atom 1114: 0.000000000000E+00 SASA for atom 1115: 0.000000000000E+00 SASA for atom 1116: 0.000000000000E+00 SASA for atom 1117: 0.000000000000E+00 SASA for atom 1118: 0.000000000000E+00 SASA for atom 1119: 0.000000000000E+00 SASA for atom 1120: 0.000000000000E+00 SASA for atom 1121: 0.000000000000E+00 SASA for atom 1122: 0.000000000000E+00 SASA for atom 1123: 0.000000000000E+00 SASA for atom 1124: 0.000000000000E+00 SASA for atom 1125: 0.000000000000E+00 SASA for atom 1126: 0.000000000000E+00 SASA for atom 1127: 0.000000000000E+00 SASA for atom 1128: 0.000000000000E+00 SASA for atom 1129: 0.000000000000E+00 SASA for atom 1130: 0.000000000000E+00 SASA for atom 1131: 0.000000000000E+00 SASA for atom 1132: 0.000000000000E+00 SASA for atom 1133: 0.000000000000E+00 SASA for atom 1134: 0.000000000000E+00 SASA for atom 1135: 0.000000000000E+00 SASA for atom 1136: 0.000000000000E+00 SASA for atom 1137: 0.000000000000E+00 SASA for atom 1138: 0.000000000000E+00 SASA for atom 1139: 0.000000000000E+00 SASA for atom 1140: 0.000000000000E+00 SASA for atom 1141: 0.000000000000E+00 SASA for atom 1142: 0.000000000000E+00 SASA for atom 1143: 0.000000000000E+00 SASA for atom 1144: 0.000000000000E+00 SASA for atom 1145: 0.000000000000E+00 SASA for atom 1146: 0.000000000000E+00 SASA for atom 1147: 0.000000000000E+00 SASA for atom 1148: 0.000000000000E+00 SASA for atom 1149: 0.000000000000E+00 SASA for atom 1150: 0.000000000000E+00 SASA for atom 1151: 0.000000000000E+00 SASA for atom 1152: 0.000000000000E+00 SASA for atom 1153: 0.000000000000E+00 SASA for atom 1154: 0.000000000000E+00 SASA for atom 1155: 0.000000000000E+00 SASA for atom 1156: 0.000000000000E+00 SASA for atom 1157: 0.000000000000E+00 SASA for atom 1158: 0.000000000000E+00 SASA for atom 1159: 0.000000000000E+00 SASA for atom 1160: 0.000000000000E+00 SASA for atom 1161: 0.000000000000E+00 SASA for atom 1162: 0.000000000000E+00 SASA for atom 1163: 0.000000000000E+00 SASA for atom 1164: 0.000000000000E+00 SASA for atom 1165: 0.000000000000E+00 SASA for atom 1166: 0.000000000000E+00 SASA for atom 1167: 0.000000000000E+00 SASA for atom 1168: 0.000000000000E+00 SASA for atom 1169: 0.000000000000E+00 SASA for atom 1170: 0.000000000000E+00 SASA for atom 1171: 0.000000000000E+00 SASA for atom 1172: 0.000000000000E+00 SASA for atom 1173: 0.000000000000E+00 SASA for atom 1174: 0.000000000000E+00 SASA for atom 1175: 0.000000000000E+00 SASA for atom 1176: 0.000000000000E+00 SASA for atom 1177: 0.000000000000E+00 SASA for atom 1178: 0.000000000000E+00 SASA for atom 1179: 0.000000000000E+00 SASA for atom 1180: 0.000000000000E+00 SASA for atom 1181: 0.000000000000E+00 SASA for atom 1182: 0.000000000000E+00 SASA for atom 1183: 0.000000000000E+00 SASA for atom 1184: 0.000000000000E+00 SASA for atom 1185: 0.000000000000E+00 SASA for atom 1186: 0.000000000000E+00 SASA for atom 1187: 0.000000000000E+00 SASA for atom 1188: 0.000000000000E+00 SASA for atom 1189: 0.000000000000E+00 SASA for atom 1190: 0.000000000000E+00 SASA for atom 1191: 0.000000000000E+00 SASA for atom 1192: 0.000000000000E+00 SASA for atom 1193: 0.000000000000E+00 SASA for atom 1194: 0.000000000000E+00 SASA for atom 1195: 0.000000000000E+00 SASA for atom 1196: 0.000000000000E+00 SASA for atom 1197: 0.000000000000E+00 SASA for atom 1198: 0.000000000000E+00 SASA for atom 1199: 0.000000000000E+00 SASA for atom 1200: 0.000000000000E+00 SASA for atom 1201: 0.000000000000E+00 SASA for atom 1202: 0.000000000000E+00 SASA for atom 1203: 0.000000000000E+00 SASA for atom 1204: 0.000000000000E+00 SASA for atom 1205: 0.000000000000E+00 SASA for atom 1206: 0.000000000000E+00 SASA for atom 1207: 0.000000000000E+00 SASA for atom 1208: 0.000000000000E+00 SASA for atom 1209: 0.000000000000E+00 SASA for atom 1210: 0.000000000000E+00 SASA for atom 1211: 0.000000000000E+00 SASA for atom 1212: 0.000000000000E+00 SASA for atom 1213: 0.000000000000E+00 SASA for atom 1214: 0.000000000000E+00 SASA for atom 1215: 0.000000000000E+00 SASA for atom 1216: 0.000000000000E+00 SASA for atom 1217: 0.000000000000E+00 SASA for atom 1218: 0.000000000000E+00 SASA for atom 1219: 0.000000000000E+00 SASA for atom 1220: 0.000000000000E+00 SASA for atom 1221: 0.000000000000E+00 SASA for atom 1222: 0.000000000000E+00 SASA for atom 1223: 0.000000000000E+00 SASA for atom 1224: 0.000000000000E+00 SASA for atom 1225: 0.000000000000E+00 SASA for atom 1226: 0.000000000000E+00 SASA for atom 1227: 0.000000000000E+00 SASA for atom 1228: 0.000000000000E+00 SASA for atom 1229: 0.000000000000E+00 SASA for atom 1230: 0.000000000000E+00 SASA for atom 1231: 0.000000000000E+00 SASA for atom 1232: 0.000000000000E+00 SASA for atom 1233: 0.000000000000E+00 SASA for atom 1234: 0.000000000000E+00 SASA for atom 1235: 0.000000000000E+00 SASA for atom 1236: 0.000000000000E+00 SASA for atom 1237: 0.000000000000E+00 SASA for atom 1238: 0.000000000000E+00 SASA for atom 1239: 0.000000000000E+00 SASA for atom 1240: 0.000000000000E+00 SASA for atom 1241: 0.000000000000E+00 SASA for atom 1242: 0.000000000000E+00 SASA for atom 1243: 0.000000000000E+00 SASA for atom 1244: 0.000000000000E+00 SASA for atom 1245: 0.000000000000E+00 SASA for atom 1246: 0.000000000000E+00 SASA for atom 1247: 0.000000000000E+00 SASA for atom 1248: 0.000000000000E+00 SASA for atom 1249: 0.000000000000E+00 SASA for atom 1250: 0.000000000000E+00 SASA for atom 1251: 0.000000000000E+00 SASA for atom 1252: 0.000000000000E+00 SASA for atom 1253: 0.000000000000E+00 SASA for atom 1254: 0.000000000000E+00 SASA for atom 1255: 0.000000000000E+00 SASA for atom 1256: 0.000000000000E+00 SASA for atom 1257: 0.000000000000E+00 SASA for atom 1258: 0.000000000000E+00 SASA for atom 1259: 0.000000000000E+00 SASA for atom 1260: 0.000000000000E+00 SASA for atom 1261: 0.000000000000E+00 SASA for atom 1262: 0.000000000000E+00 SASA for atom 1263: 0.000000000000E+00 SASA for atom 1264: 0.000000000000E+00 SASA for atom 1265: 0.000000000000E+00 SASA for atom 1266: 0.000000000000E+00 SASA for atom 1267: 0.000000000000E+00 SASA for atom 1268: 0.000000000000E+00 SASA for atom 1269: 0.000000000000E+00 SASA for atom 1270: 0.000000000000E+00 SASA for atom 1271: 0.000000000000E+00 SASA for atom 1272: 0.000000000000E+00 SASA for atom 1273: 0.000000000000E+00 SASA for atom 1274: 0.000000000000E+00 SASA for atom 1275: 0.000000000000E+00 SASA for atom 1276: 0.000000000000E+00 SASA for atom 1277: 0.000000000000E+00 SASA for atom 1278: 0.000000000000E+00 SASA for atom 1279: 0.000000000000E+00 SASA for atom 1280: 0.000000000000E+00 SASA for atom 1281: 0.000000000000E+00 SASA for atom 1282: 0.000000000000E+00 SASA for atom 1283: 0.000000000000E+00 SASA for atom 1284: 0.000000000000E+00 SASA for atom 1285: 0.000000000000E+00 SASA for atom 1286: 0.000000000000E+00 SASA for atom 1287: 0.000000000000E+00 SASA for atom 1288: 0.000000000000E+00 SASA for atom 1289: 0.000000000000E+00 SASA for atom 1290: 0.000000000000E+00 SASA for atom 1291: 0.000000000000E+00 SASA for atom 1292: 0.000000000000E+00 SASA for atom 1293: 0.000000000000E+00 SASA for atom 1294: 0.000000000000E+00 SASA for atom 1295: 0.000000000000E+00 SASA for atom 1296: 0.000000000000E+00 SASA for atom 1297: 0.000000000000E+00 SASA for atom 1298: 0.000000000000E+00 SASA for atom 1299: 0.000000000000E+00 SASA for atom 1300: 0.000000000000E+00 SASA for atom 1301: 0.000000000000E+00 SASA for atom 1302: 0.000000000000E+00 SASA for atom 1303: 0.000000000000E+00 SASA for atom 1304: 0.000000000000E+00 SASA for atom 1305: 0.000000000000E+00 SASA for atom 1306: 0.000000000000E+00 SASA for atom 1307: 0.000000000000E+00 SASA for atom 1308: 0.000000000000E+00 SASA for atom 1309: 0.000000000000E+00 SASA for atom 1310: 0.000000000000E+00 SASA for atom 1311: 0.000000000000E+00 SASA for atom 1312: 0.000000000000E+00 SASA for atom 1313: 0.000000000000E+00 SASA for atom 1314: 0.000000000000E+00 SASA for atom 1315: 0.000000000000E+00 SASA for atom 1316: 0.000000000000E+00 SASA for atom 1317: 0.000000000000E+00 SASA for atom 1318: 0.000000000000E+00 SASA for atom 1319: 0.000000000000E+00 SASA for atom 1320: 0.000000000000E+00 SASA for atom 1321: 0.000000000000E+00 SASA for atom 1322: 0.000000000000E+00 SASA for atom 1323: 0.000000000000E+00 SASA for atom 1324: 0.000000000000E+00 SASA for atom 1325: 0.000000000000E+00 SASA for atom 1326: 0.000000000000E+00 SASA for atom 1327: 0.000000000000E+00 SASA for atom 1328: 0.000000000000E+00 SASA for atom 1329: 0.000000000000E+00 SASA for atom 1330: 0.000000000000E+00 SASA for atom 1331: 0.000000000000E+00 SASA for atom 1332: 0.000000000000E+00 SASA for atom 1333: 0.000000000000E+00 SASA for atom 1334: 0.000000000000E+00 SASA for atom 1335: 0.000000000000E+00 SASA for atom 1336: 0.000000000000E+00 SASA for atom 1337: 0.000000000000E+00 SASA for atom 1338: 0.000000000000E+00 SASA for atom 1339: 0.000000000000E+00 SASA for atom 1340: 0.000000000000E+00 SASA for atom 1341: 0.000000000000E+00 SASA for atom 1342: 0.000000000000E+00 SASA for atom 1343: 0.000000000000E+00 SASA for atom 1344: 0.000000000000E+00 SASA for atom 1345: 0.000000000000E+00 SASA for atom 1346: 0.000000000000E+00 SASA for atom 1347: 0.000000000000E+00 SASA for atom 1348: 0.000000000000E+00 SASA for atom 1349: 0.000000000000E+00 SASA for atom 1350: 0.000000000000E+00 SASA for atom 1351: 0.000000000000E+00 SASA for atom 1352: 0.000000000000E+00 SASA for atom 1353: 0.000000000000E+00 SASA for atom 1354: 0.000000000000E+00 SASA for atom 1355: 0.000000000000E+00 SASA for atom 1356: 0.000000000000E+00 SASA for atom 1357: 0.000000000000E+00 SASA for atom 1358: 0.000000000000E+00 SASA for atom 1359: 0.000000000000E+00 SASA for atom 1360: 0.000000000000E+00 SASA for atom 1361: 0.000000000000E+00 SASA for atom 1362: 0.000000000000E+00 SASA for atom 1363: 0.000000000000E+00 SASA for atom 1364: 0.000000000000E+00 SASA for atom 1365: 0.000000000000E+00 SASA for atom 1366: 0.000000000000E+00 SASA for atom 1367: 0.000000000000E+00 SASA for atom 1368: 0.000000000000E+00 SASA for atom 1369: 0.000000000000E+00 SASA for atom 1370: 0.000000000000E+00 SASA for atom 1371: 0.000000000000E+00 SASA for atom 1372: 0.000000000000E+00 SASA for atom 1373: 0.000000000000E+00 SASA for atom 1374: 0.000000000000E+00 SASA for atom 1375: 0.000000000000E+00 SASA for atom 1376: 0.000000000000E+00 SASA for atom 1377: 0.000000000000E+00 SASA for atom 1378: 0.000000000000E+00 SASA for atom 1379: 0.000000000000E+00 SASA for atom 1380: 0.000000000000E+00 SASA for atom 1381: 0.000000000000E+00 SASA for atom 1382: 0.000000000000E+00 SASA for atom 1383: 0.000000000000E+00 SASA for atom 1384: 0.000000000000E+00 SASA for atom 1385: 0.000000000000E+00 SASA for atom 1386: 0.000000000000E+00 SASA for atom 1387: 0.000000000000E+00 SASA for atom 1388: 0.000000000000E+00 SASA for atom 1389: 0.000000000000E+00 SASA for atom 1390: 0.000000000000E+00 SASA for atom 1391: 0.000000000000E+00 SASA for atom 1392: 0.000000000000E+00 SASA for atom 1393: 0.000000000000E+00 SASA for atom 1394: 0.000000000000E+00 SASA for atom 1395: 0.000000000000E+00 SASA for atom 1396: 0.000000000000E+00 SASA for atom 1397: 0.000000000000E+00 SASA for atom 1398: 0.000000000000E+00 SASA for atom 1399: 0.000000000000E+00 SASA for atom 1400: 0.000000000000E+00 SASA for atom 1401: 0.000000000000E+00 SASA for atom 1402: 0.000000000000E+00 SASA for atom 1403: 0.000000000000E+00 SASA for atom 1404: 0.000000000000E+00 SASA for atom 1405: 0.000000000000E+00 SASA for atom 1406: 0.000000000000E+00 SASA for atom 1407: 0.000000000000E+00 SASA for atom 1408: 0.000000000000E+00 SASA for atom 1409: 0.000000000000E+00 SASA for atom 1410: 0.000000000000E+00 SASA for atom 1411: 0.000000000000E+00 SASA for atom 1412: 0.000000000000E+00 SASA for atom 1413: 0.000000000000E+00 SASA for atom 1414: 0.000000000000E+00 SASA for atom 1415: 0.000000000000E+00 SASA for atom 1416: 0.000000000000E+00 SASA for atom 1417: 0.000000000000E+00 SASA for atom 1418: 0.000000000000E+00 SASA for atom 1419: 0.000000000000E+00 SASA for atom 1420: 0.000000000000E+00 SASA for atom 1421: 0.000000000000E+00 SASA for atom 1422: 0.000000000000E+00 SASA for atom 1423: 0.000000000000E+00 SASA for atom 1424: 0.000000000000E+00 SASA for atom 1425: 0.000000000000E+00 SASA for atom 1426: 0.000000000000E+00 SASA for atom 1427: 0.000000000000E+00 SASA for atom 1428: 0.000000000000E+00 SASA for atom 1429: 0.000000000000E+00 SASA for atom 1430: 0.000000000000E+00 SASA for atom 1431: 0.000000000000E+00 SASA for atom 1432: 0.000000000000E+00 SASA for atom 1433: 0.000000000000E+00 SASA for atom 1434: 0.000000000000E+00 SASA for atom 1435: 0.000000000000E+00 SASA for atom 1436: 0.000000000000E+00 SASA for atom 1437: 0.000000000000E+00 SASA for atom 1438: 0.000000000000E+00 SASA for atom 1439: 0.000000000000E+00 SASA for atom 1440: 0.000000000000E+00 SASA for atom 1441: 0.000000000000E+00 SASA for atom 1442: 0.000000000000E+00 SASA for atom 1443: 0.000000000000E+00 SASA for atom 1444: 0.000000000000E+00 SASA for atom 1445: 0.000000000000E+00 SASA for atom 1446: 0.000000000000E+00 SASA for atom 1447: 0.000000000000E+00 SASA for atom 1448: 0.000000000000E+00 SASA for atom 1449: 0.000000000000E+00 SASA for atom 1450: 0.000000000000E+00 SASA for atom 1451: 0.000000000000E+00 SASA for atom 1452: 0.000000000000E+00 SASA for atom 1453: 0.000000000000E+00 SASA for atom 1454: 0.000000000000E+00 SASA for atom 1455: 0.000000000000E+00 SASA for atom 1456: 0.000000000000E+00 SASA for atom 1457: 0.000000000000E+00 SASA for atom 1458: 0.000000000000E+00 SASA for atom 1459: 0.000000000000E+00 SASA for atom 1460: 0.000000000000E+00 SASA for atom 1461: 0.000000000000E+00 SASA for atom 1462: 0.000000000000E+00 SASA for atom 1463: 0.000000000000E+00 SASA for atom 1464: 0.000000000000E+00 SASA for atom 1465: 0.000000000000E+00 SASA for atom 1466: 0.000000000000E+00 SASA for atom 1467: 0.000000000000E+00 SASA for atom 1468: 0.000000000000E+00 SASA for atom 1469: 0.000000000000E+00 SASA for atom 1470: 0.000000000000E+00 SASA for atom 1471: 0.000000000000E+00 SASA for atom 1472: 0.000000000000E+00 SASA for atom 1473: 0.000000000000E+00 SASA for atom 1474: 0.000000000000E+00 SASA for atom 1475: 0.000000000000E+00 SASA for atom 1476: 0.000000000000E+00 SASA for atom 1477: 0.000000000000E+00 SASA for atom 1478: 0.000000000000E+00 SASA for atom 1479: 0.000000000000E+00 SASA for atom 1480: 0.000000000000E+00 SASA for atom 1481: 0.000000000000E+00 SASA for atom 1482: 0.000000000000E+00 SASA for atom 1483: 0.000000000000E+00 SASA for atom 1484: 0.000000000000E+00 SASA for atom 1485: 0.000000000000E+00 SASA for atom 1486: 0.000000000000E+00 SASA for atom 1487: 0.000000000000E+00 SASA for atom 1488: 0.000000000000E+00 SASA for atom 1489: 0.000000000000E+00 SASA for atom 1490: 0.000000000000E+00 SASA for atom 1491: 0.000000000000E+00 SASA for atom 1492: 0.000000000000E+00 SASA for atom 1493: 0.000000000000E+00 SASA for atom 1494: 0.000000000000E+00 SASA for atom 1495: 0.000000000000E+00 SASA for atom 1496: 0.000000000000E+00 SASA for atom 1497: 0.000000000000E+00 SASA for atom 1498: 0.000000000000E+00 SASA for atom 1499: 0.000000000000E+00 SASA for atom 1500: 0.000000000000E+00 SASA for atom 1501: 0.000000000000E+00 SASA for atom 1502: 0.000000000000E+00 SASA for atom 1503: 0.000000000000E+00 SASA for atom 1504: 0.000000000000E+00 SASA for atom 1505: 0.000000000000E+00 SASA for atom 1506: 0.000000000000E+00 SASA for atom 1507: 0.000000000000E+00 SASA for atom 1508: 0.000000000000E+00 SASA for atom 1509: 0.000000000000E+00 SASA for atom 1510: 0.000000000000E+00 SASA for atom 1511: 0.000000000000E+00 SASA for atom 1512: 0.000000000000E+00 SASA for atom 1513: 0.000000000000E+00 SASA for atom 1514: 0.000000000000E+00 SASA for atom 1515: 0.000000000000E+00 SASA for atom 1516: 0.000000000000E+00 SASA for atom 1517: 0.000000000000E+00 SASA for atom 1518: 0.000000000000E+00 SASA for atom 1519: 0.000000000000E+00 SASA for atom 1520: 0.000000000000E+00 SASA for atom 1521: 0.000000000000E+00 SASA for atom 1522: 0.000000000000E+00 SASA for atom 1523: 0.000000000000E+00 SASA for atom 1524: 0.000000000000E+00 SASA for atom 1525: 0.000000000000E+00 SASA for atom 1526: 0.000000000000E+00 SASA for atom 1527: 0.000000000000E+00 SASA for atom 1528: 0.000000000000E+00 SASA for atom 1529: 0.000000000000E+00 SASA for atom 1530: 0.000000000000E+00 SASA for atom 1531: 0.000000000000E+00 SASA for atom 1532: 0.000000000000E+00 SASA for atom 1533: 0.000000000000E+00 SASA for atom 1534: 0.000000000000E+00 SASA for atom 1535: 0.000000000000E+00 SASA for atom 1536: 0.000000000000E+00 SASA for atom 1537: 0.000000000000E+00 SASA for atom 1538: 0.000000000000E+00 SASA for atom 1539: 0.000000000000E+00 SASA for atom 1540: 0.000000000000E+00 SASA for atom 1541: 0.000000000000E+00 SASA for atom 1542: 0.000000000000E+00 SASA for atom 1543: 0.000000000000E+00 SASA for atom 1544: 0.000000000000E+00 SASA for atom 1545: 0.000000000000E+00 SASA for atom 1546: 0.000000000000E+00 SASA for atom 1547: 0.000000000000E+00 SASA for atom 1548: 0.000000000000E+00 SASA for atom 1549: 0.000000000000E+00 SASA for atom 1550: 0.000000000000E+00 SASA for atom 1551: 0.000000000000E+00 SASA for atom 1552: 0.000000000000E+00 SASA for atom 1553: 0.000000000000E+00 SASA for atom 1554: 0.000000000000E+00 SASA for atom 1555: 0.000000000000E+00 SASA for atom 1556: 0.000000000000E+00 SASA for atom 1557: 0.000000000000E+00 SASA for atom 1558: 0.000000000000E+00 SASA for atom 1559: 0.000000000000E+00 SASA for atom 1560: 0.000000000000E+00 SASA for atom 1561: 0.000000000000E+00 SASA for atom 1562: 0.000000000000E+00 SASA for atom 1563: 0.000000000000E+00 SASA for atom 1564: 0.000000000000E+00 SASA for atom 1565: 0.000000000000E+00 SASA for atom 1566: 0.000000000000E+00 SASA for atom 1567: 0.000000000000E+00 SASA for atom 1568: 0.000000000000E+00 SASA for atom 1569: 0.000000000000E+00 SASA for atom 1570: 0.000000000000E+00 SASA for atom 1571: 0.000000000000E+00 SASA for atom 1572: 0.000000000000E+00 SASA for atom 1573: 0.000000000000E+00 SASA for atom 1574: 0.000000000000E+00 SASA for atom 1575: 0.000000000000E+00 SASA for atom 1576: 0.000000000000E+00 SASA for atom 1577: 0.000000000000E+00 SASA for atom 1578: 0.000000000000E+00 SASA for atom 1579: 0.000000000000E+00 SASA for atom 1580: 0.000000000000E+00 SASA for atom 1581: 0.000000000000E+00 SASA for atom 1582: 0.000000000000E+00 SASA for atom 1583: 0.000000000000E+00 SASA for atom 1584: 0.000000000000E+00 SASA for atom 1585: 0.000000000000E+00 SASA for atom 1586: 0.000000000000E+00 SASA for atom 1587: 0.000000000000E+00 SASA for atom 1588: 0.000000000000E+00 SASA for atom 1589: 0.000000000000E+00 SASA for atom 1590: 0.000000000000E+00 SASA for atom 1591: 0.000000000000E+00 SASA for atom 1592: 0.000000000000E+00 SASA for atom 1593: 0.000000000000E+00 SASA for atom 1594: 0.000000000000E+00 SASA for atom 1595: 0.000000000000E+00 SASA for atom 1596: 0.000000000000E+00 SASA for atom 1597: 0.000000000000E+00 SASA for atom 1598: 0.000000000000E+00 SASA for atom 1599: 0.000000000000E+00 SASA for atom 1600: 0.000000000000E+00 SASA for atom 1601: 0.000000000000E+00 SASA for atom 1602: 0.000000000000E+00 SASA for atom 1603: 0.000000000000E+00 SASA for atom 1604: 0.000000000000E+00 SASA for atom 1605: 0.000000000000E+00 SASA for atom 1606: 0.000000000000E+00 SASA for atom 1607: 0.000000000000E+00 SASA for atom 1608: 0.000000000000E+00 SASA for atom 1609: 0.000000000000E+00 SASA for atom 1610: 0.000000000000E+00 SASA for atom 1611: 0.000000000000E+00 SASA for atom 1612: 0.000000000000E+00 SASA for atom 1613: 0.000000000000E+00 SASA for atom 1614: 0.000000000000E+00 SASA for atom 1615: 0.000000000000E+00 SASA for atom 1616: 0.000000000000E+00 SASA for atom 1617: 0.000000000000E+00 SASA for atom 1618: 0.000000000000E+00 SASA for atom 1619: 0.000000000000E+00 SASA for atom 1620: 0.000000000000E+00 SASA for atom 1621: 0.000000000000E+00 SASA for atom 1622: 0.000000000000E+00 SASA for atom 1623: 0.000000000000E+00 SASA for atom 1624: 0.000000000000E+00 SASA for atom 1625: 0.000000000000E+00 SASA for atom 1626: 0.000000000000E+00 SASA for atom 1627: 0.000000000000E+00 SASA for atom 1628: 0.000000000000E+00 SASA for atom 1629: 0.000000000000E+00 SASA for atom 1630: 0.000000000000E+00 SASA for atom 1631: 0.000000000000E+00 SASA for atom 1632: 0.000000000000E+00 SASA for atom 1633: 0.000000000000E+00 SASA for atom 1634: 0.000000000000E+00 SASA for atom 1635: 0.000000000000E+00 SASA for atom 1636: 0.000000000000E+00 SASA for atom 1637: 0.000000000000E+00 SASA for atom 1638: 0.000000000000E+00 SASA for atom 1639: 0.000000000000E+00 SASA for atom 1640: 0.000000000000E+00 SASA for atom 1641: 0.000000000000E+00 SASA for atom 1642: 0.000000000000E+00 SASA for atom 1643: 0.000000000000E+00 SASA for atom 1644: 0.000000000000E+00 SASA for atom 1645: 0.000000000000E+00 SASA for atom 1646: 0.000000000000E+00 SASA for atom 1647: 0.000000000000E+00 SASA for atom 1648: 0.000000000000E+00 SASA for atom 1649: 0.000000000000E+00 SASA for atom 1650: 0.000000000000E+00 SASA for atom 1651: 0.000000000000E+00 SASA for atom 1652: 0.000000000000E+00 SASA for atom 1653: 0.000000000000E+00 SASA for atom 1654: 0.000000000000E+00 SASA for atom 1655: 0.000000000000E+00 SASA for atom 1656: 0.000000000000E+00 SASA for atom 1657: 0.000000000000E+00 SASA for atom 1658: 0.000000000000E+00 SASA for atom 1659: 0.000000000000E+00 SASA for atom 1660: 0.000000000000E+00 SASA for atom 1661: 0.000000000000E+00 SASA for atom 1662: 0.000000000000E+00 SASA for atom 1663: 0.000000000000E+00 SASA for atom 1664: 0.000000000000E+00 SASA for atom 1665: 0.000000000000E+00 SASA for atom 1666: 0.000000000000E+00 SASA for atom 1667: 0.000000000000E+00 SASA for atom 1668: 0.000000000000E+00 SASA for atom 1669: 0.000000000000E+00 SASA for atom 1670: 0.000000000000E+00 SASA for atom 1671: 0.000000000000E+00 SASA for atom 1672: 0.000000000000E+00 SASA for atom 1673: 0.000000000000E+00 SASA for atom 1674: 0.000000000000E+00 SASA for atom 1675: 0.000000000000E+00 SASA for atom 1676: 0.000000000000E+00 SASA for atom 1677: 0.000000000000E+00 SASA for atom 1678: 0.000000000000E+00 SASA for atom 1679: 0.000000000000E+00 SASA for atom 1680: 0.000000000000E+00 SASA for atom 1681: 0.000000000000E+00 SASA for atom 1682: 0.000000000000E+00 SASA for atom 1683: 0.000000000000E+00 SASA for atom 1684: 0.000000000000E+00 SASA for atom 1685: 0.000000000000E+00 SASA for atom 1686: 0.000000000000E+00 SASA for atom 1687: 0.000000000000E+00 SASA for atom 1688: 0.000000000000E+00 SASA for atom 1689: 0.000000000000E+00 SASA for atom 1690: 0.000000000000E+00 SASA for atom 1691: 0.000000000000E+00 SASA for atom 1692: 0.000000000000E+00 SASA for atom 1693: 0.000000000000E+00 SASA for atom 1694: 0.000000000000E+00 SASA for atom 1695: 0.000000000000E+00 SASA for atom 1696: 0.000000000000E+00 SASA for atom 1697: 0.000000000000E+00 SASA for atom 1698: 0.000000000000E+00 SASA for atom 1699: 0.000000000000E+00 SASA for atom 1700: 0.000000000000E+00 SASA for atom 1701: 0.000000000000E+00 SASA for atom 1702: 0.000000000000E+00 SASA for atom 1703: 0.000000000000E+00 SASA for atom 1704: 0.000000000000E+00 SASA for atom 1705: 0.000000000000E+00 SASA for atom 1706: 0.000000000000E+00 SASA for atom 1707: 0.000000000000E+00 SASA for atom 1708: 0.000000000000E+00 SASA for atom 1709: 0.000000000000E+00 SASA for atom 1710: 0.000000000000E+00 SASA for atom 1711: 0.000000000000E+00 SASA for atom 1712: 0.000000000000E+00 SASA for atom 1713: 0.000000000000E+00 SASA for atom 1714: 0.000000000000E+00 SASA for atom 1715: 0.000000000000E+00 SASA for atom 1716: 0.000000000000E+00 SASA for atom 1717: 0.000000000000E+00 SASA for atom 1718: 0.000000000000E+00 SASA for atom 1719: 0.000000000000E+00 SASA for atom 1720: 0.000000000000E+00 SASA for atom 1721: 0.000000000000E+00 SASA for atom 1722: 0.000000000000E+00 SASA for atom 1723: 0.000000000000E+00 SASA for atom 1724: 0.000000000000E+00 SASA for atom 1725: 0.000000000000E+00 SASA for atom 1726: 0.000000000000E+00 SASA for atom 1727: 0.000000000000E+00 SASA for atom 1728: 0.000000000000E+00 SASA for atom 1729: 0.000000000000E+00 SASA for atom 1730: 0.000000000000E+00 SASA for atom 1731: 0.000000000000E+00 SASA for atom 1732: 0.000000000000E+00 SASA for atom 1733: 0.000000000000E+00 SASA for atom 1734: 0.000000000000E+00 SASA for atom 1735: 0.000000000000E+00 SASA for atom 1736: 0.000000000000E+00 SASA for atom 1737: 0.000000000000E+00 SASA for atom 1738: 0.000000000000E+00 SASA for atom 1739: 0.000000000000E+00 SASA for atom 1740: 0.000000000000E+00 SASA for atom 1741: 0.000000000000E+00 SASA for atom 1742: 0.000000000000E+00 SASA for atom 1743: 0.000000000000E+00 SASA for atom 1744: 0.000000000000E+00 SASA for atom 1745: 0.000000000000E+00 SASA for atom 1746: 0.000000000000E+00 SASA for atom 1747: 0.000000000000E+00 SASA for atom 1748: 0.000000000000E+00 SASA for atom 1749: 0.000000000000E+00 SASA for atom 1750: 0.000000000000E+00 SASA for atom 1751: 0.000000000000E+00 SASA for atom 1752: 0.000000000000E+00 SASA for atom 1753: 0.000000000000E+00 SASA for atom 1754: 0.000000000000E+00 SASA for atom 1755: 0.000000000000E+00 SASA for atom 1756: 0.000000000000E+00 SASA for atom 1757: 0.000000000000E+00 SASA for atom 1758: 0.000000000000E+00 SASA for atom 1759: 0.000000000000E+00 SASA for atom 1760: 0.000000000000E+00 SASA for atom 1761: 0.000000000000E+00 SASA for atom 1762: 0.000000000000E+00 SASA for atom 1763: 0.000000000000E+00 SASA for atom 1764: 0.000000000000E+00 SASA for atom 1765: 0.000000000000E+00 SASA for atom 1766: 0.000000000000E+00 SASA for atom 1767: 0.000000000000E+00 SASA for atom 1768: 0.000000000000E+00 SASA for atom 1769: 0.000000000000E+00 SASA for atom 1770: 0.000000000000E+00 SASA for atom 1771: 0.000000000000E+00 SASA for atom 1772: 0.000000000000E+00 SASA for atom 1773: 0.000000000000E+00 SASA for atom 1774: 0.000000000000E+00 SASA for atom 1775: 0.000000000000E+00 SASA for atom 1776: 0.000000000000E+00 SASA for atom 1777: 0.000000000000E+00 SASA for atom 1778: 0.000000000000E+00 SASA for atom 1779: 0.000000000000E+00 SASA for atom 1780: 0.000000000000E+00 SASA for atom 1781: 0.000000000000E+00 SASA for atom 1782: 0.000000000000E+00 SASA for atom 1783: 0.000000000000E+00 SASA for atom 1784: 0.000000000000E+00 SASA for atom 1785: 0.000000000000E+00 SASA for atom 1786: 0.000000000000E+00 SASA for atom 1787: 0.000000000000E+00 SASA for atom 1788: 0.000000000000E+00 SASA for atom 1789: 0.000000000000E+00 SASA for atom 1790: 0.000000000000E+00 SASA for atom 1791: 0.000000000000E+00 SASA for atom 1792: 0.000000000000E+00 SASA for atom 1793: 0.000000000000E+00 SASA for atom 1794: 0.000000000000E+00 SASA for atom 1795: 0.000000000000E+00 SASA for atom 1796: 0.000000000000E+00 SASA for atom 1797: 0.000000000000E+00 SASA for atom 1798: 0.000000000000E+00 SASA for atom 1799: 0.000000000000E+00 SASA for atom 1800: 0.000000000000E+00 SASA for atom 1801: 0.000000000000E+00 SASA for atom 1802: 0.000000000000E+00 SASA for atom 1803: 0.000000000000E+00 SASA for atom 1804: 0.000000000000E+00 SASA for atom 1805: 0.000000000000E+00 SASA for atom 1806: 0.000000000000E+00 SASA for atom 1807: 0.000000000000E+00 SASA for atom 1808: 0.000000000000E+00 SASA for atom 1809: 0.000000000000E+00 SASA for atom 1810: 0.000000000000E+00 SASA for atom 1811: 0.000000000000E+00 SASA for atom 1812: 0.000000000000E+00 SASA for atom 1813: 0.000000000000E+00 SASA for atom 1814: 0.000000000000E+00 SASA for atom 1815: 0.000000000000E+00 SASA for atom 1816: 0.000000000000E+00 SASA for atom 1817: 0.000000000000E+00 SASA for atom 1818: 0.000000000000E+00 SASA for atom 1819: 0.000000000000E+00 SASA for atom 1820: 0.000000000000E+00 SASA for atom 1821: 0.000000000000E+00 SASA for atom 1822: 0.000000000000E+00 SASA for atom 1823: 0.000000000000E+00 SASA for atom 1824: 0.000000000000E+00 SASA for atom 1825: 0.000000000000E+00 SASA for atom 1826: 0.000000000000E+00 SASA for atom 1827: 0.000000000000E+00 SASA for atom 1828: 0.000000000000E+00 SASA for atom 1829: 0.000000000000E+00 SASA for atom 1830: 0.000000000000E+00 SASA for atom 1831: 0.000000000000E+00 SASA for atom 1832: 0.000000000000E+00 SASA for atom 1833: 0.000000000000E+00 SASA for atom 1834: 0.000000000000E+00 SASA for atom 1835: 0.000000000000E+00 SASA for atom 1836: 0.000000000000E+00 SASA for atom 1837: 0.000000000000E+00 SASA for atom 1838: 0.000000000000E+00 SASA for atom 1839: 0.000000000000E+00 SASA for atom 1840: 0.000000000000E+00 SASA for atom 1841: 0.000000000000E+00 SASA for atom 1842: 0.000000000000E+00 SASA for atom 1843: 0.000000000000E+00 SASA for atom 1844: 0.000000000000E+00 SASA for atom 1845: 0.000000000000E+00 SASA for atom 1846: 0.000000000000E+00 SASA for atom 1847: 0.000000000000E+00 SASA for atom 1848: 0.000000000000E+00 SASA for atom 1849: 0.000000000000E+00 SASA for atom 1850: 0.000000000000E+00 SASA for atom 1851: 0.000000000000E+00 SASA for atom 1852: 0.000000000000E+00 SASA for atom 1853: 0.000000000000E+00 SASA for atom 1854: 0.000000000000E+00 SASA for atom 1855: 0.000000000000E+00 SASA for atom 1856: 0.000000000000E+00 SASA for atom 1857: 0.000000000000E+00 SASA for atom 1858: 0.000000000000E+00 SASA for atom 1859: 0.000000000000E+00 SASA for atom 1860: 0.000000000000E+00 SASA for atom 1861: 0.000000000000E+00 SASA for atom 1862: 0.000000000000E+00 SASA for atom 1863: 0.000000000000E+00 SASA for atom 1864: 0.000000000000E+00 SASA for atom 1865: 0.000000000000E+00 SASA for atom 1866: 0.000000000000E+00 SASA for atom 1867: 0.000000000000E+00 SASA for atom 1868: 0.000000000000E+00 SASA for atom 1869: 0.000000000000E+00 SASA for atom 1870: 0.000000000000E+00 SASA for atom 1871: 0.000000000000E+00 SASA for atom 1872: 0.000000000000E+00 SASA for atom 1873: 0.000000000000E+00 SASA for atom 1874: 0.000000000000E+00 SASA for atom 1875: 0.000000000000E+00 SASA for atom 1876: 0.000000000000E+00 SASA for atom 1877: 0.000000000000E+00 SASA for atom 1878: 0.000000000000E+00 SASA for atom 1879: 0.000000000000E+00 SASA for atom 1880: 0.000000000000E+00 SASA for atom 1881: 0.000000000000E+00 SASA for atom 1882: 0.000000000000E+00 SASA for atom 1883: 0.000000000000E+00 SASA for atom 1884: 0.000000000000E+00 SASA for atom 1885: 0.000000000000E+00 SASA for atom 1886: 0.000000000000E+00 SASA for atom 1887: 0.000000000000E+00 SASA for atom 1888: 0.000000000000E+00 SASA for atom 1889: 0.000000000000E+00 SASA for atom 1890: 0.000000000000E+00 SASA for atom 1891: 0.000000000000E+00 SASA for atom 1892: 0.000000000000E+00 SASA for atom 1893: 0.000000000000E+00 SASA for atom 1894: 0.000000000000E+00 SASA for atom 1895: 0.000000000000E+00 SASA for atom 1896: 0.000000000000E+00 SASA for atom 1897: 0.000000000000E+00 SASA for atom 1898: 0.000000000000E+00 SASA for atom 1899: 0.000000000000E+00 SASA for atom 1900: 0.000000000000E+00 SASA for atom 1901: 0.000000000000E+00 SASA for atom 1902: 0.000000000000E+00 SASA for atom 1903: 0.000000000000E+00 SASA for atom 1904: 0.000000000000E+00 SASA for atom 1905: 0.000000000000E+00 SASA for atom 1906: 0.000000000000E+00 SASA for atom 1907: 0.000000000000E+00 SASA for atom 1908: 0.000000000000E+00 SASA for atom 1909: 0.000000000000E+00 SASA for atom 1910: 0.000000000000E+00 SASA for atom 1911: 0.000000000000E+00 SASA for atom 1912: 0.000000000000E+00 SASA for atom 1913: 0.000000000000E+00 SASA for atom 1914: 0.000000000000E+00 SASA for atom 1915: 0.000000000000E+00 SASA for atom 1916: 0.000000000000E+00 SASA for atom 1917: 0.000000000000E+00 SASA for atom 1918: 0.000000000000E+00 SASA for atom 1919: 0.000000000000E+00 SASA for atom 1920: 0.000000000000E+00 SASA for atom 1921: 0.000000000000E+00 SASA for atom 1922: 0.000000000000E+00 SASA for atom 1923: 0.000000000000E+00 SASA for atom 1924: 0.000000000000E+00 SASA for atom 1925: 0.000000000000E+00 SASA for atom 1926: 0.000000000000E+00 SASA for atom 1927: 0.000000000000E+00 SASA for atom 1928: 0.000000000000E+00 SASA for atom 1929: 0.000000000000E+00 SASA for atom 1930: 0.000000000000E+00 SASA for atom 1931: 0.000000000000E+00 SASA for atom 1932: 0.000000000000E+00 SASA for atom 1933: 0.000000000000E+00 SASA for atom 1934: 0.000000000000E+00 SASA for atom 1935: 0.000000000000E+00 SASA for atom 1936: 0.000000000000E+00 SASA for atom 1937: 0.000000000000E+00 SASA for atom 1938: 0.000000000000E+00 SASA for atom 1939: 0.000000000000E+00 SASA for atom 1940: 0.000000000000E+00 SASA for atom 1941: 0.000000000000E+00 SASA for atom 1942: 0.000000000000E+00 SASA for atom 1943: 0.000000000000E+00 SASA for atom 1944: 0.000000000000E+00 SASA for atom 1945: 0.000000000000E+00 SASA for atom 1946: 0.000000000000E+00 SASA for atom 1947: 0.000000000000E+00 SASA for atom 1948: 0.000000000000E+00 SASA for atom 1949: 0.000000000000E+00 SASA for atom 1950: 0.000000000000E+00 SASA for atom 1951: 0.000000000000E+00 SASA for atom 1952: 0.000000000000E+00 SASA for atom 1953: 0.000000000000E+00 SASA for atom 1954: 0.000000000000E+00 SASA for atom 1955: 0.000000000000E+00 SASA for atom 1956: 0.000000000000E+00 SASA for atom 1957: 0.000000000000E+00 SASA for atom 1958: 0.000000000000E+00 SASA for atom 1959: 0.000000000000E+00 SASA for atom 1960: 0.000000000000E+00 SASA for atom 1961: 0.000000000000E+00 SASA for atom 1962: 0.000000000000E+00 SASA for atom 1963: 0.000000000000E+00 SASA for atom 1964: 0.000000000000E+00 SASA for atom 1965: 0.000000000000E+00 SASA for atom 1966: 0.000000000000E+00 SASA for atom 1967: 0.000000000000E+00 SASA for atom 1968: 0.000000000000E+00 SASA for atom 1969: 0.000000000000E+00 SASA for atom 1970: 0.000000000000E+00 SASA for atom 1971: 0.000000000000E+00 SASA for atom 1972: 0.000000000000E+00 SASA for atom 1973: 0.000000000000E+00 SASA for atom 1974: 0.000000000000E+00 SASA for atom 1975: 0.000000000000E+00 SASA for atom 1976: 0.000000000000E+00 SASA for atom 1977: 0.000000000000E+00 SASA for atom 1978: 0.000000000000E+00 SASA for atom 1979: 0.000000000000E+00 SASA for atom 1980: 0.000000000000E+00 SASA for atom 1981: 0.000000000000E+00 SASA for atom 1982: 0.000000000000E+00 SASA for atom 1983: 0.000000000000E+00 SASA for atom 1984: 0.000000000000E+00 SASA for atom 1985: 0.000000000000E+00 SASA for atom 1986: 0.000000000000E+00 SASA for atom 1987: 0.000000000000E+00 SASA for atom 1988: 0.000000000000E+00 SASA for atom 1989: 0.000000000000E+00 SASA for atom 1990: 0.000000000000E+00 SASA for atom 1991: 0.000000000000E+00 SASA for atom 1992: 0.000000000000E+00 Total solvent accessible surface area: 0 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 0.000000000000E+00 Surface tension*area energy for atom 1: 0.000000000000E+00 Surface tension*area energy for atom 2: 0.000000000000E+00 Surface tension*area energy for atom 3: 0.000000000000E+00 Surface tension*area energy for atom 4: 0.000000000000E+00 Surface tension*area energy for atom 5: 0.000000000000E+00 Surface tension*area energy for atom 6: 0.000000000000E+00 Surface tension*area energy for atom 7: 0.000000000000E+00 Surface tension*area energy for atom 8: 0.000000000000E+00 Surface tension*area energy for atom 9: 0.000000000000E+00 Surface tension*area energy for atom 10: 0.000000000000E+00 Surface tension*area energy for atom 11: 0.000000000000E+00 Surface tension*area energy for atom 12: 0.000000000000E+00 Surface tension*area energy for atom 13: 0.000000000000E+00 Surface tension*area energy for atom 14: 0.000000000000E+00 Surface tension*area energy for atom 15: 0.000000000000E+00 Surface tension*area energy for atom 16: 0.000000000000E+00 Surface tension*area energy for atom 17: 0.000000000000E+00 Surface tension*area energy for atom 18: 0.000000000000E+00 Surface tension*area energy for atom 19: 0.000000000000E+00 Surface tension*area energy for atom 20: 0.000000000000E+00 Surface tension*area energy for atom 21: 0.000000000000E+00 Surface tension*area energy for atom 22: 0.000000000000E+00 Surface tension*area energy for atom 23: 0.000000000000E+00 Surface tension*area energy for atom 24: 0.000000000000E+00 Surface tension*area energy for atom 25: 0.000000000000E+00 Surface tension*area energy for atom 26: 0.000000000000E+00 Surface tension*area energy for atom 27: 0.000000000000E+00 Surface tension*area energy for atom 28: 0.000000000000E+00 Surface tension*area energy for atom 29: 0.000000000000E+00 Surface tension*area energy for atom 30: 0.000000000000E+00 Surface tension*area energy for atom 31: 0.000000000000E+00 Surface tension*area energy for atom 32: 0.000000000000E+00 Surface tension*area energy for atom 33: 0.000000000000E+00 Surface tension*area energy for atom 34: 0.000000000000E+00 Surface tension*area energy for atom 35: 0.000000000000E+00 Surface tension*area energy for atom 36: 0.000000000000E+00 Surface tension*area energy for atom 37: 0.000000000000E+00 Surface tension*area energy for atom 38: 0.000000000000E+00 Surface tension*area energy for atom 39: 0.000000000000E+00 Surface tension*area energy for atom 40: 0.000000000000E+00 Surface tension*area energy for atom 41: 0.000000000000E+00 Surface tension*area energy for atom 42: 0.000000000000E+00 Surface tension*area energy for atom 43: 0.000000000000E+00 Surface tension*area energy for atom 44: 0.000000000000E+00 Surface tension*area energy for atom 45: 0.000000000000E+00 Surface tension*area energy for atom 46: 0.000000000000E+00 Surface tension*area energy for atom 47: 0.000000000000E+00 Surface tension*area energy for atom 48: 0.000000000000E+00 Surface tension*area energy for atom 49: 0.000000000000E+00 Surface tension*area energy for atom 50: 0.000000000000E+00 Surface tension*area energy for atom 51: 0.000000000000E+00 Surface tension*area energy for atom 52: 0.000000000000E+00 Surface tension*area energy for atom 53: 0.000000000000E+00 Surface tension*area energy for atom 54: 0.000000000000E+00 Surface tension*area energy for atom 55: 0.000000000000E+00 Surface tension*area energy for atom 56: 0.000000000000E+00 Surface tension*area energy for atom 57: 0.000000000000E+00 Surface tension*area energy for atom 58: 0.000000000000E+00 Surface tension*area energy for atom 59: 0.000000000000E+00 Surface tension*area energy for atom 60: 0.000000000000E+00 Surface tension*area energy for atom 61: 0.000000000000E+00 Surface tension*area energy for atom 62: 0.000000000000E+00 Surface tension*area energy for atom 63: 0.000000000000E+00 Surface tension*area energy for atom 64: 0.000000000000E+00 Surface tension*area energy for atom 65: 0.000000000000E+00 Surface tension*area energy for atom 66: 0.000000000000E+00 Surface tension*area energy for atom 67: 0.000000000000E+00 Surface tension*area energy for atom 68: 0.000000000000E+00 Surface tension*area energy for atom 69: 0.000000000000E+00 Surface tension*area energy for atom 70: 0.000000000000E+00 Surface tension*area energy for atom 71: 0.000000000000E+00 Surface tension*area energy for atom 72: 0.000000000000E+00 Surface tension*area energy for atom 73: 0.000000000000E+00 Surface tension*area energy for atom 74: 0.000000000000E+00 Surface tension*area energy for atom 75: 0.000000000000E+00 Surface tension*area energy for atom 76: 0.000000000000E+00 Surface tension*area energy for atom 77: 0.000000000000E+00 Surface tension*area energy for atom 78: 0.000000000000E+00 Surface tension*area energy for atom 79: 0.000000000000E+00 Surface tension*area energy for atom 80: 0.000000000000E+00 Surface tension*area energy for atom 81: 0.000000000000E+00 Surface tension*area energy for atom 82: 0.000000000000E+00 Surface tension*area energy for atom 83: 0.000000000000E+00 Surface tension*area energy for atom 84: 0.000000000000E+00 Surface tension*area energy for atom 85: 0.000000000000E+00 Surface tension*area energy for atom 86: 0.000000000000E+00 Surface tension*area energy for atom 87: 0.000000000000E+00 Surface tension*area energy for atom 88: 0.000000000000E+00 Surface tension*area energy for atom 89: 0.000000000000E+00 Surface tension*area energy for atom 90: 0.000000000000E+00 Surface tension*area energy for atom 91: 0.000000000000E+00 Surface tension*area energy for atom 92: 0.000000000000E+00 Surface tension*area energy for atom 93: 0.000000000000E+00 Surface tension*area energy for atom 94: 0.000000000000E+00 Surface tension*area energy for atom 95: 0.000000000000E+00 Surface tension*area energy for atom 96: 0.000000000000E+00 Surface tension*area energy for atom 97: 0.000000000000E+00 Surface tension*area energy for atom 98: 0.000000000000E+00 Surface tension*area energy for atom 99: 0.000000000000E+00 Surface tension*area energy for atom 100: 0.000000000000E+00 Surface tension*area energy for atom 101: 0.000000000000E+00 Surface tension*area energy for atom 102: 0.000000000000E+00 Surface tension*area energy for atom 103: 0.000000000000E+00 Surface tension*area energy for atom 104: 0.000000000000E+00 Surface tension*area energy for atom 105: 0.000000000000E+00 Surface tension*area energy for atom 106: 0.000000000000E+00 Surface tension*area energy for atom 107: 0.000000000000E+00 Surface tension*area energy for atom 108: 0.000000000000E+00 Surface tension*area energy for atom 109: 0.000000000000E+00 Surface tension*area energy for atom 110: 0.000000000000E+00 Surface tension*area energy for atom 111: 0.000000000000E+00 Surface tension*area energy for atom 112: 0.000000000000E+00 Surface tension*area energy for atom 113: 0.000000000000E+00 Surface tension*area energy for atom 114: 0.000000000000E+00 Surface tension*area energy for atom 115: 0.000000000000E+00 Surface tension*area energy for atom 116: 0.000000000000E+00 Surface tension*area energy for atom 117: 0.000000000000E+00 Surface tension*area energy for atom 118: 0.000000000000E+00 Surface tension*area energy for atom 119: 0.000000000000E+00 Surface tension*area energy for atom 120: 0.000000000000E+00 Surface tension*area energy for atom 121: 0.000000000000E+00 Surface tension*area energy for atom 122: 0.000000000000E+00 Surface tension*area energy for atom 123: 0.000000000000E+00 Surface tension*area energy for atom 124: 0.000000000000E+00 Surface tension*area energy for atom 125: 0.000000000000E+00 Surface tension*area energy for atom 126: 0.000000000000E+00 Surface tension*area energy for atom 127: 0.000000000000E+00 Surface tension*area energy for atom 128: 0.000000000000E+00 Surface tension*area energy for atom 129: 0.000000000000E+00 Surface tension*area energy for atom 130: 0.000000000000E+00 Surface tension*area energy for atom 131: 0.000000000000E+00 Surface tension*area energy for atom 132: 0.000000000000E+00 Surface tension*area energy for atom 133: 0.000000000000E+00 Surface tension*area energy for atom 134: 0.000000000000E+00 Surface tension*area energy for atom 135: 0.000000000000E+00 Surface tension*area energy for atom 136: 0.000000000000E+00 Surface tension*area energy for atom 137: 0.000000000000E+00 Surface tension*area energy for atom 138: 0.000000000000E+00 Surface tension*area energy for atom 139: 0.000000000000E+00 Surface tension*area energy for atom 140: 0.000000000000E+00 Surface tension*area energy for atom 141: 0.000000000000E+00 Surface tension*area energy for atom 142: 0.000000000000E+00 Surface tension*area energy for atom 143: 0.000000000000E+00 Surface tension*area energy for atom 144: 0.000000000000E+00 Surface tension*area energy for atom 145: 0.000000000000E+00 Surface tension*area energy for atom 146: 0.000000000000E+00 Surface tension*area energy for atom 147: 0.000000000000E+00 Surface tension*area energy for atom 148: 0.000000000000E+00 Surface tension*area energy for atom 149: 0.000000000000E+00 Surface tension*area energy for atom 150: 0.000000000000E+00 Surface tension*area energy for atom 151: 0.000000000000E+00 Surface tension*area energy for atom 152: 0.000000000000E+00 Surface tension*area energy for atom 153: 0.000000000000E+00 Surface tension*area energy for atom 154: 0.000000000000E+00 Surface tension*area energy for atom 155: 0.000000000000E+00 Surface tension*area energy for atom 156: 0.000000000000E+00 Surface tension*area energy for atom 157: 0.000000000000E+00 Surface tension*area energy for atom 158: 0.000000000000E+00 Surface tension*area energy for atom 159: 0.000000000000E+00 Surface tension*area energy for atom 160: 0.000000000000E+00 Surface tension*area energy for atom 161: 0.000000000000E+00 Surface tension*area energy for atom 162: 0.000000000000E+00 Surface tension*area energy for atom 163: 0.000000000000E+00 Surface tension*area energy for atom 164: 0.000000000000E+00 Surface tension*area energy for atom 165: 0.000000000000E+00 Surface tension*area energy for atom 166: 0.000000000000E+00 Surface tension*area energy for atom 167: 0.000000000000E+00 Surface tension*area energy for atom 168: 0.000000000000E+00 Surface tension*area energy for atom 169: 0.000000000000E+00 Surface tension*area energy for atom 170: 0.000000000000E+00 Surface tension*area energy for atom 171: 0.000000000000E+00 Surface tension*area energy for atom 172: 0.000000000000E+00 Surface tension*area energy for atom 173: 0.000000000000E+00 Surface tension*area energy for atom 174: 0.000000000000E+00 Surface tension*area energy for atom 175: 0.000000000000E+00 Surface tension*area energy for atom 176: 0.000000000000E+00 Surface tension*area energy for atom 177: 0.000000000000E+00 Surface tension*area energy for atom 178: 0.000000000000E+00 Surface tension*area energy for atom 179: 0.000000000000E+00 Surface tension*area energy for atom 180: 0.000000000000E+00 Surface tension*area energy for atom 181: 0.000000000000E+00 Surface tension*area energy for atom 182: 0.000000000000E+00 Surface tension*area energy for atom 183: 0.000000000000E+00 Surface tension*area energy for atom 184: 0.000000000000E+00 Surface tension*area energy for atom 185: 0.000000000000E+00 Surface tension*area energy for atom 186: 0.000000000000E+00 Surface tension*area energy for atom 187: 0.000000000000E+00 Surface tension*area energy for atom 188: 0.000000000000E+00 Surface tension*area energy for atom 189: 0.000000000000E+00 Surface tension*area energy for atom 190: 0.000000000000E+00 Surface tension*area energy for atom 191: 0.000000000000E+00 Surface tension*area energy for atom 192: 0.000000000000E+00 Surface tension*area energy for atom 193: 0.000000000000E+00 Surface tension*area energy for atom 194: 0.000000000000E+00 Surface tension*area energy for atom 195: 0.000000000000E+00 Surface tension*area energy for atom 196: 0.000000000000E+00 Surface tension*area energy for atom 197: 0.000000000000E+00 Surface tension*area energy for atom 198: 0.000000000000E+00 Surface tension*area energy for atom 199: 0.000000000000E+00 Surface tension*area energy for atom 200: 0.000000000000E+00 Surface tension*area energy for atom 201: 0.000000000000E+00 Surface tension*area energy for atom 202: 0.000000000000E+00 Surface tension*area energy for atom 203: 0.000000000000E+00 Surface tension*area energy for atom 204: 0.000000000000E+00 Surface tension*area energy for atom 205: 0.000000000000E+00 Surface tension*area energy for atom 206: 0.000000000000E+00 Surface tension*area energy for atom 207: 0.000000000000E+00 Surface tension*area energy for atom 208: 0.000000000000E+00 Surface tension*area energy for atom 209: 0.000000000000E+00 Surface tension*area energy for atom 210: 0.000000000000E+00 Surface tension*area energy for atom 211: 0.000000000000E+00 Surface tension*area energy for atom 212: 0.000000000000E+00 Surface tension*area energy for atom 213: 0.000000000000E+00 Surface tension*area energy for atom 214: 0.000000000000E+00 Surface tension*area energy for atom 215: 0.000000000000E+00 Surface tension*area energy for atom 216: 0.000000000000E+00 Surface tension*area energy for atom 217: 0.000000000000E+00 Surface tension*area energy for atom 218: 0.000000000000E+00 Surface tension*area energy for atom 219: 0.000000000000E+00 Surface tension*area energy for atom 220: 0.000000000000E+00 Surface tension*area energy for atom 221: 0.000000000000E+00 Surface tension*area energy for atom 222: 0.000000000000E+00 Surface tension*area energy for atom 223: 0.000000000000E+00 Surface tension*area energy for atom 224: 0.000000000000E+00 Surface tension*area energy for atom 225: 0.000000000000E+00 Surface tension*area energy for atom 226: 0.000000000000E+00 Surface tension*area energy for atom 227: 0.000000000000E+00 Surface tension*area energy for atom 228: 0.000000000000E+00 Surface tension*area energy for atom 229: 0.000000000000E+00 Surface tension*area energy for atom 230: 0.000000000000E+00 Surface tension*area energy for atom 231: 0.000000000000E+00 Surface tension*area energy for atom 232: 0.000000000000E+00 Surface tension*area energy for atom 233: 0.000000000000E+00 Surface tension*area energy for atom 234: 0.000000000000E+00 Surface tension*area energy for atom 235: 0.000000000000E+00 Surface tension*area energy for atom 236: 0.000000000000E+00 Surface tension*area energy for atom 237: 0.000000000000E+00 Surface tension*area energy for atom 238: 0.000000000000E+00 Surface tension*area energy for atom 239: 0.000000000000E+00 Surface tension*area energy for atom 240: 0.000000000000E+00 Surface tension*area energy for atom 241: 0.000000000000E+00 Surface tension*area energy for atom 242: 0.000000000000E+00 Surface tension*area energy for atom 243: 0.000000000000E+00 Surface tension*area energy for atom 244: 0.000000000000E+00 Surface tension*area energy for atom 245: 0.000000000000E+00 Surface tension*area energy for atom 246: 0.000000000000E+00 Surface tension*area energy for atom 247: 0.000000000000E+00 Surface tension*area energy for atom 248: 0.000000000000E+00 Surface tension*area energy for atom 249: 0.000000000000E+00 Surface tension*area energy for atom 250: 0.000000000000E+00 Surface tension*area energy for atom 251: 0.000000000000E+00 Surface tension*area energy for atom 252: 0.000000000000E+00 Surface tension*area energy for atom 253: 0.000000000000E+00 Surface tension*area energy for atom 254: 0.000000000000E+00 Surface tension*area energy for atom 255: 0.000000000000E+00 Surface tension*area energy for atom 256: 0.000000000000E+00 Surface tension*area energy for atom 257: 0.000000000000E+00 Surface tension*area energy for atom 258: 0.000000000000E+00 Surface tension*area energy for atom 259: 0.000000000000E+00 Surface tension*area energy for atom 260: 0.000000000000E+00 Surface tension*area energy for atom 261: 0.000000000000E+00 Surface tension*area energy for atom 262: 0.000000000000E+00 Surface tension*area energy for atom 263: 0.000000000000E+00 Surface tension*area energy for atom 264: 0.000000000000E+00 Surface tension*area energy for atom 265: 0.000000000000E+00 Surface tension*area energy for atom 266: 0.000000000000E+00 Surface tension*area energy for atom 267: 0.000000000000E+00 Surface tension*area energy for atom 268: 0.000000000000E+00 Surface tension*area energy for atom 269: 0.000000000000E+00 Surface tension*area energy for atom 270: 0.000000000000E+00 Surface tension*area energy for atom 271: 0.000000000000E+00 Surface tension*area energy for atom 272: 0.000000000000E+00 Surface tension*area energy for atom 273: 0.000000000000E+00 Surface tension*area energy for atom 274: 0.000000000000E+00 Surface tension*area energy for atom 275: 0.000000000000E+00 Surface tension*area energy for atom 276: 0.000000000000E+00 Surface tension*area energy for atom 277: 0.000000000000E+00 Surface tension*area energy for atom 278: 0.000000000000E+00 Surface tension*area energy for atom 279: 0.000000000000E+00 Surface tension*area energy for atom 280: 0.000000000000E+00 Surface tension*area energy for atom 281: 0.000000000000E+00 Surface tension*area energy for atom 282: 0.000000000000E+00 Surface tension*area energy for atom 283: 0.000000000000E+00 Surface tension*area energy for atom 284: 0.000000000000E+00 Surface tension*area energy for atom 285: 0.000000000000E+00 Surface tension*area energy for atom 286: 0.000000000000E+00 Surface tension*area energy for atom 287: 0.000000000000E+00 Surface tension*area energy for atom 288: 0.000000000000E+00 Surface tension*area energy for atom 289: 0.000000000000E+00 Surface tension*area energy for atom 290: 0.000000000000E+00 Surface tension*area energy for atom 291: 0.000000000000E+00 Surface tension*area energy for atom 292: 0.000000000000E+00 Surface tension*area energy for atom 293: 0.000000000000E+00 Surface tension*area energy for atom 294: 0.000000000000E+00 Surface tension*area energy for atom 295: 0.000000000000E+00 Surface tension*area energy for atom 296: 0.000000000000E+00 Surface tension*area energy for atom 297: 0.000000000000E+00 Surface tension*area energy for atom 298: 0.000000000000E+00 Surface tension*area energy for atom 299: 0.000000000000E+00 Surface tension*area energy for atom 300: 0.000000000000E+00 Surface tension*area energy for atom 301: 0.000000000000E+00 Surface tension*area energy for atom 302: 0.000000000000E+00 Surface tension*area energy for atom 303: 0.000000000000E+00 Surface tension*area energy for atom 304: 0.000000000000E+00 Surface tension*area energy for atom 305: 0.000000000000E+00 Surface tension*area energy for atom 306: 0.000000000000E+00 Surface tension*area energy for atom 307: 0.000000000000E+00 Surface tension*area energy for atom 308: 0.000000000000E+00 Surface tension*area energy for atom 309: 0.000000000000E+00 Surface tension*area energy for atom 310: 0.000000000000E+00 Surface tension*area energy for atom 311: 0.000000000000E+00 Surface tension*area energy for atom 312: 0.000000000000E+00 Surface tension*area energy for atom 313: 0.000000000000E+00 Surface tension*area energy for atom 314: 0.000000000000E+00 Surface tension*area energy for atom 315: 0.000000000000E+00 Surface tension*area energy for atom 316: 0.000000000000E+00 Surface tension*area energy for atom 317: 0.000000000000E+00 Surface tension*area energy for atom 318: 0.000000000000E+00 Surface tension*area energy for atom 319: 0.000000000000E+00 Surface tension*area energy for atom 320: 0.000000000000E+00 Surface tension*area energy for atom 321: 0.000000000000E+00 Surface tension*area energy for atom 322: 0.000000000000E+00 Surface tension*area energy for atom 323: 0.000000000000E+00 Surface tension*area energy for atom 324: 0.000000000000E+00 Surface tension*area energy for atom 325: 0.000000000000E+00 Surface tension*area energy for atom 326: 0.000000000000E+00 Surface tension*area energy for atom 327: 0.000000000000E+00 Surface tension*area energy for atom 328: 0.000000000000E+00 Surface tension*area energy for atom 329: 0.000000000000E+00 Surface tension*area energy for atom 330: 0.000000000000E+00 Surface tension*area energy for atom 331: 0.000000000000E+00 Surface tension*area energy for atom 332: 0.000000000000E+00 Surface tension*area energy for atom 333: 0.000000000000E+00 Surface tension*area energy for atom 334: 0.000000000000E+00 Surface tension*area energy for atom 335: 0.000000000000E+00 Surface tension*area energy for atom 336: 0.000000000000E+00 Surface tension*area energy for atom 337: 0.000000000000E+00 Surface tension*area energy for atom 338: 0.000000000000E+00 Surface tension*area energy for atom 339: 0.000000000000E+00 Surface tension*area energy for atom 340: 0.000000000000E+00 Surface tension*area energy for atom 341: 0.000000000000E+00 Surface tension*area energy for atom 342: 0.000000000000E+00 Surface tension*area energy for atom 343: 0.000000000000E+00 Surface tension*area energy for atom 344: 0.000000000000E+00 Surface tension*area energy for atom 345: 0.000000000000E+00 Surface tension*area energy for atom 346: 0.000000000000E+00 Surface tension*area energy for atom 347: 0.000000000000E+00 Surface tension*area energy for atom 348: 0.000000000000E+00 Surface tension*area energy for atom 349: 0.000000000000E+00 Surface tension*area energy for atom 350: 0.000000000000E+00 Surface tension*area energy for atom 351: 0.000000000000E+00 Surface tension*area energy for atom 352: 0.000000000000E+00 Surface tension*area energy for atom 353: 0.000000000000E+00 Surface tension*area energy for atom 354: 0.000000000000E+00 Surface tension*area energy for atom 355: 0.000000000000E+00 Surface tension*area energy for atom 356: 0.000000000000E+00 Surface tension*area energy for atom 357: 0.000000000000E+00 Surface tension*area energy for atom 358: 0.000000000000E+00 Surface tension*area energy for atom 359: 0.000000000000E+00 Surface tension*area energy for atom 360: 0.000000000000E+00 Surface tension*area energy for atom 361: 0.000000000000E+00 Surface tension*area energy for atom 362: 0.000000000000E+00 Surface tension*area energy for atom 363: 0.000000000000E+00 Surface tension*area energy for atom 364: 0.000000000000E+00 Surface tension*area energy for atom 365: 0.000000000000E+00 Surface tension*area energy for atom 366: 0.000000000000E+00 Surface tension*area energy for atom 367: 0.000000000000E+00 Surface tension*area energy for atom 368: 0.000000000000E+00 Surface tension*area energy for atom 369: 0.000000000000E+00 Surface tension*area energy for atom 370: 0.000000000000E+00 Surface tension*area energy for atom 371: 0.000000000000E+00 Surface tension*area energy for atom 372: 0.000000000000E+00 Surface tension*area energy for atom 373: 0.000000000000E+00 Surface tension*area energy for atom 374: 0.000000000000E+00 Surface tension*area energy for atom 375: 0.000000000000E+00 Surface tension*area energy for atom 376: 0.000000000000E+00 Surface tension*area energy for atom 377: 0.000000000000E+00 Surface tension*area energy for atom 378: 0.000000000000E+00 Surface tension*area energy for atom 379: 0.000000000000E+00 Surface tension*area energy for atom 380: 0.000000000000E+00 Surface tension*area energy for atom 381: 0.000000000000E+00 Surface tension*area energy for atom 382: 0.000000000000E+00 Surface tension*area energy for atom 383: 0.000000000000E+00 Surface tension*area energy for atom 384: 0.000000000000E+00 Surface tension*area energy for atom 385: 0.000000000000E+00 Surface tension*area energy for atom 386: 0.000000000000E+00 Surface tension*area energy for atom 387: 0.000000000000E+00 Surface tension*area energy for atom 388: 0.000000000000E+00 Surface tension*area energy for atom 389: 0.000000000000E+00 Surface tension*area energy for atom 390: 0.000000000000E+00 Surface tension*area energy for atom 391: 0.000000000000E+00 Surface tension*area energy for atom 392: 0.000000000000E+00 Surface tension*area energy for atom 393: 0.000000000000E+00 Surface tension*area energy for atom 394: 0.000000000000E+00 Surface tension*area energy for atom 395: 0.000000000000E+00 Surface tension*area energy for atom 396: 0.000000000000E+00 Surface tension*area energy for atom 397: 0.000000000000E+00 Surface tension*area energy for atom 398: 0.000000000000E+00 Surface tension*area energy for atom 399: 0.000000000000E+00 Surface tension*area energy for atom 400: 0.000000000000E+00 Surface tension*area energy for atom 401: 0.000000000000E+00 Surface tension*area energy for atom 402: 0.000000000000E+00 Surface tension*area energy for atom 403: 0.000000000000E+00 Surface tension*area energy for atom 404: 0.000000000000E+00 Surface tension*area energy for atom 405: 0.000000000000E+00 Surface tension*area energy for atom 406: 0.000000000000E+00 Surface tension*area energy for atom 407: 0.000000000000E+00 Surface tension*area energy for atom 408: 0.000000000000E+00 Surface tension*area energy for atom 409: 0.000000000000E+00 Surface tension*area energy for atom 410: 0.000000000000E+00 Surface tension*area energy for atom 411: 0.000000000000E+00 Surface tension*area energy for atom 412: 0.000000000000E+00 Surface tension*area energy for atom 413: 0.000000000000E+00 Surface tension*area energy for atom 414: 0.000000000000E+00 Surface tension*area energy for atom 415: 0.000000000000E+00 Surface tension*area energy for atom 416: 0.000000000000E+00 Surface tension*area energy for atom 417: 0.000000000000E+00 Surface tension*area energy for atom 418: 0.000000000000E+00 Surface tension*area energy for atom 419: 0.000000000000E+00 Surface tension*area energy for atom 420: 0.000000000000E+00 Surface tension*area energy for atom 421: 0.000000000000E+00 Surface tension*area energy for atom 422: 0.000000000000E+00 Surface tension*area energy for atom 423: 0.000000000000E+00 Surface tension*area energy for atom 424: 0.000000000000E+00 Surface tension*area energy for atom 425: 0.000000000000E+00 Surface tension*area energy for atom 426: 0.000000000000E+00 Surface tension*area energy for atom 427: 0.000000000000E+00 Surface tension*area energy for atom 428: 0.000000000000E+00 Surface tension*area energy for atom 429: 0.000000000000E+00 Surface tension*area energy for atom 430: 0.000000000000E+00 Surface tension*area energy for atom 431: 0.000000000000E+00 Surface tension*area energy for atom 432: 0.000000000000E+00 Surface tension*area energy for atom 433: 0.000000000000E+00 Surface tension*area energy for atom 434: 0.000000000000E+00 Surface tension*area energy for atom 435: 0.000000000000E+00 Surface tension*area energy for atom 436: 0.000000000000E+00 Surface tension*area energy for atom 437: 0.000000000000E+00 Surface tension*area energy for atom 438: 0.000000000000E+00 Surface tension*area energy for atom 439: 0.000000000000E+00 Surface tension*area energy for atom 440: 0.000000000000E+00 Surface tension*area energy for atom 441: 0.000000000000E+00 Surface tension*area energy for atom 442: 0.000000000000E+00 Surface tension*area energy for atom 443: 0.000000000000E+00 Surface tension*area energy for atom 444: 0.000000000000E+00 Surface tension*area energy for atom 445: 0.000000000000E+00 Surface tension*area energy for atom 446: 0.000000000000E+00 Surface tension*area energy for atom 447: 0.000000000000E+00 Surface tension*area energy for atom 448: 0.000000000000E+00 Surface tension*area energy for atom 449: 0.000000000000E+00 Surface tension*area energy for atom 450: 0.000000000000E+00 Surface tension*area energy for atom 451: 0.000000000000E+00 Surface tension*area energy for atom 452: 0.000000000000E+00 Surface tension*area energy for atom 453: 0.000000000000E+00 Surface tension*area energy for atom 454: 0.000000000000E+00 Surface tension*area energy for atom 455: 0.000000000000E+00 Surface tension*area energy for atom 456: 0.000000000000E+00 Surface tension*area energy for atom 457: 0.000000000000E+00 Surface tension*area energy for atom 458: 0.000000000000E+00 Surface tension*area energy for atom 459: 0.000000000000E+00 Surface tension*area energy for atom 460: 0.000000000000E+00 Surface tension*area energy for atom 461: 0.000000000000E+00 Surface tension*area energy for atom 462: 0.000000000000E+00 Surface tension*area energy for atom 463: 0.000000000000E+00 Surface tension*area energy for atom 464: 0.000000000000E+00 Surface tension*area energy for atom 465: 0.000000000000E+00 Surface tension*area energy for atom 466: 0.000000000000E+00 Surface tension*area energy for atom 467: 0.000000000000E+00 Surface tension*area energy for atom 468: 0.000000000000E+00 Surface tension*area energy for atom 469: 0.000000000000E+00 Surface tension*area energy for atom 470: 0.000000000000E+00 Surface tension*area energy for atom 471: 0.000000000000E+00 Surface tension*area energy for atom 472: 0.000000000000E+00 Surface tension*area energy for atom 473: 0.000000000000E+00 Surface tension*area energy for atom 474: 0.000000000000E+00 Surface tension*area energy for atom 475: 0.000000000000E+00 Surface tension*area energy for atom 476: 0.000000000000E+00 Surface tension*area energy for atom 477: 0.000000000000E+00 Surface tension*area energy for atom 478: 0.000000000000E+00 Surface tension*area energy for atom 479: 0.000000000000E+00 Surface tension*area energy for atom 480: 0.000000000000E+00 Surface tension*area energy for atom 481: 0.000000000000E+00 Surface tension*area energy for atom 482: 0.000000000000E+00 Surface tension*area energy for atom 483: 0.000000000000E+00 Surface tension*area energy for atom 484: 0.000000000000E+00 Surface tension*area energy for atom 485: 0.000000000000E+00 Surface tension*area energy for atom 486: 0.000000000000E+00 Surface tension*area energy for atom 487: 0.000000000000E+00 Surface tension*area energy for atom 488: 0.000000000000E+00 Surface tension*area energy for atom 489: 0.000000000000E+00 Surface tension*area energy for atom 490: 0.000000000000E+00 Surface tension*area energy for atom 491: 0.000000000000E+00 Surface tension*area energy for atom 492: 0.000000000000E+00 Surface tension*area energy for atom 493: 0.000000000000E+00 Surface tension*area energy for atom 494: 0.000000000000E+00 Surface tension*area energy for atom 495: 0.000000000000E+00 Surface tension*area energy for atom 496: 0.000000000000E+00 Surface tension*area energy for atom 497: 0.000000000000E+00 Surface tension*area energy for atom 498: 0.000000000000E+00 Surface tension*area energy for atom 499: 0.000000000000E+00 Surface tension*area energy for atom 500: 0.000000000000E+00 Surface tension*area energy for atom 501: 0.000000000000E+00 Surface tension*area energy for atom 502: 0.000000000000E+00 Surface tension*area energy for atom 503: 0.000000000000E+00 Surface tension*area energy for atom 504: 0.000000000000E+00 Surface tension*area energy for atom 505: 0.000000000000E+00 Surface tension*area energy for atom 506: 0.000000000000E+00 Surface tension*area energy for atom 507: 0.000000000000E+00 Surface tension*area energy for atom 508: 0.000000000000E+00 Surface tension*area energy for atom 509: 0.000000000000E+00 Surface tension*area energy for atom 510: 0.000000000000E+00 Surface tension*area energy for atom 511: 0.000000000000E+00 Surface tension*area energy for atom 512: 0.000000000000E+00 Surface tension*area energy for atom 513: 0.000000000000E+00 Surface tension*area energy for atom 514: 0.000000000000E+00 Surface tension*area energy for atom 515: 0.000000000000E+00 Surface tension*area energy for atom 516: 0.000000000000E+00 Surface tension*area energy for atom 517: 0.000000000000E+00 Surface tension*area energy for atom 518: 0.000000000000E+00 Surface tension*area energy for atom 519: 0.000000000000E+00 Surface tension*area energy for atom 520: 0.000000000000E+00 Surface tension*area energy for atom 521: 0.000000000000E+00 Surface tension*area energy for atom 522: 0.000000000000E+00 Surface tension*area energy for atom 523: 0.000000000000E+00 Surface tension*area energy for atom 524: 0.000000000000E+00 Surface tension*area energy for atom 525: 0.000000000000E+00 Surface tension*area energy for atom 526: 0.000000000000E+00 Surface tension*area energy for atom 527: 0.000000000000E+00 Surface tension*area energy for atom 528: 0.000000000000E+00 Surface tension*area energy for atom 529: 0.000000000000E+00 Surface tension*area energy for atom 530: 0.000000000000E+00 Surface tension*area energy for atom 531: 0.000000000000E+00 Surface tension*area energy for atom 532: 0.000000000000E+00 Surface tension*area energy for atom 533: 0.000000000000E+00 Surface tension*area energy for atom 534: 0.000000000000E+00 Surface tension*area energy for atom 535: 0.000000000000E+00 Surface tension*area energy for atom 536: 0.000000000000E+00 Surface tension*area energy for atom 537: 0.000000000000E+00 Surface tension*area energy for atom 538: 0.000000000000E+00 Surface tension*area energy for atom 539: 0.000000000000E+00 Surface tension*area energy for atom 540: 0.000000000000E+00 Surface tension*area energy for atom 541: 0.000000000000E+00 Surface tension*area energy for atom 542: 0.000000000000E+00 Surface tension*area energy for atom 543: 0.000000000000E+00 Surface tension*area energy for atom 544: 0.000000000000E+00 Surface tension*area energy for atom 545: 0.000000000000E+00 Surface tension*area energy for atom 546: 0.000000000000E+00 Surface tension*area energy for atom 547: 0.000000000000E+00 Surface tension*area energy for atom 548: 0.000000000000E+00 Surface tension*area energy for atom 549: 0.000000000000E+00 Surface tension*area energy for atom 550: 0.000000000000E+00 Surface tension*area energy for atom 551: 0.000000000000E+00 Surface tension*area energy for atom 552: 0.000000000000E+00 Surface tension*area energy for atom 553: 0.000000000000E+00 Surface tension*area energy for atom 554: 0.000000000000E+00 Surface tension*area energy for atom 555: 0.000000000000E+00 Surface tension*area energy for atom 556: 0.000000000000E+00 Surface tension*area energy for atom 557: 0.000000000000E+00 Surface tension*area energy for atom 558: 0.000000000000E+00 Surface tension*area energy for atom 559: 0.000000000000E+00 Surface tension*area energy for atom 560: 0.000000000000E+00 Surface tension*area energy for atom 561: 0.000000000000E+00 Surface tension*area energy for atom 562: 0.000000000000E+00 Surface tension*area energy for atom 563: 0.000000000000E+00 Surface tension*area energy for atom 564: 0.000000000000E+00 Surface tension*area energy for atom 565: 0.000000000000E+00 Surface tension*area energy for atom 566: 0.000000000000E+00 Surface tension*area energy for atom 567: 0.000000000000E+00 Surface tension*area energy for atom 568: 0.000000000000E+00 Surface tension*area energy for atom 569: 0.000000000000E+00 Surface tension*area energy for atom 570: 0.000000000000E+00 Surface tension*area energy for atom 571: 0.000000000000E+00 Surface tension*area energy for atom 572: 0.000000000000E+00 Surface tension*area energy for atom 573: 0.000000000000E+00 Surface tension*area energy for atom 574: 0.000000000000E+00 Surface tension*area energy for atom 575: 0.000000000000E+00 Surface tension*area energy for atom 576: 0.000000000000E+00 Surface tension*area energy for atom 577: 0.000000000000E+00 Surface tension*area energy for atom 578: 0.000000000000E+00 Surface tension*area energy for atom 579: 0.000000000000E+00 Surface tension*area energy for atom 580: 0.000000000000E+00 Surface tension*area energy for atom 581: 0.000000000000E+00 Surface tension*area energy for atom 582: 0.000000000000E+00 Surface tension*area energy for atom 583: 0.000000000000E+00 Surface tension*area energy for atom 584: 0.000000000000E+00 Surface tension*area energy for atom 585: 0.000000000000E+00 Surface tension*area energy for atom 586: 0.000000000000E+00 Surface tension*area energy for atom 587: 0.000000000000E+00 Surface tension*area energy for atom 588: 0.000000000000E+00 Surface tension*area energy for atom 589: 0.000000000000E+00 Surface tension*area energy for atom 590: 0.000000000000E+00 Surface tension*area energy for atom 591: 0.000000000000E+00 Surface tension*area energy for atom 592: 0.000000000000E+00 Surface tension*area energy for atom 593: 0.000000000000E+00 Surface tension*area energy for atom 594: 0.000000000000E+00 Surface tension*area energy for atom 595: 0.000000000000E+00 Surface tension*area energy for atom 596: 0.000000000000E+00 Surface tension*area energy for atom 597: 0.000000000000E+00 Surface tension*area energy for atom 598: 0.000000000000E+00 Surface tension*area energy for atom 599: 0.000000000000E+00 Surface tension*area energy for atom 600: 0.000000000000E+00 Surface tension*area energy for atom 601: 0.000000000000E+00 Surface tension*area energy for atom 602: 0.000000000000E+00 Surface tension*area energy for atom 603: 0.000000000000E+00 Surface tension*area energy for atom 604: 0.000000000000E+00 Surface tension*area energy for atom 605: 0.000000000000E+00 Surface tension*area energy for atom 606: 0.000000000000E+00 Surface tension*area energy for atom 607: 0.000000000000E+00 Surface tension*area energy for atom 608: 0.000000000000E+00 Surface tension*area energy for atom 609: 0.000000000000E+00 Surface tension*area energy for atom 610: 0.000000000000E+00 Surface tension*area energy for atom 611: 0.000000000000E+00 Surface tension*area energy for atom 612: 0.000000000000E+00 Surface tension*area energy for atom 613: 0.000000000000E+00 Surface tension*area energy for atom 614: 0.000000000000E+00 Surface tension*area energy for atom 615: 0.000000000000E+00 Surface tension*area energy for atom 616: 0.000000000000E+00 Surface tension*area energy for atom 617: 0.000000000000E+00 Surface tension*area energy for atom 618: 0.000000000000E+00 Surface tension*area energy for atom 619: 0.000000000000E+00 Surface tension*area energy for atom 620: 0.000000000000E+00 Surface tension*area energy for atom 621: 0.000000000000E+00 Surface tension*area energy for atom 622: 0.000000000000E+00 Surface tension*area energy for atom 623: 0.000000000000E+00 Surface tension*area energy for atom 624: 0.000000000000E+00 Surface tension*area energy for atom 625: 0.000000000000E+00 Surface tension*area energy for atom 626: 0.000000000000E+00 Surface tension*area energy for atom 627: 0.000000000000E+00 Surface tension*area energy for atom 628: 0.000000000000E+00 Surface tension*area energy for atom 629: 0.000000000000E+00 Surface tension*area energy for atom 630: 0.000000000000E+00 Surface tension*area energy for atom 631: 0.000000000000E+00 Surface tension*area energy for atom 632: 0.000000000000E+00 Surface tension*area energy for atom 633: 0.000000000000E+00 Surface tension*area energy for atom 634: 0.000000000000E+00 Surface tension*area energy for atom 635: 0.000000000000E+00 Surface tension*area energy for atom 636: 0.000000000000E+00 Surface tension*area energy for atom 637: 0.000000000000E+00 Surface tension*area energy for atom 638: 0.000000000000E+00 Surface tension*area energy for atom 639: 0.000000000000E+00 Surface tension*area energy for atom 640: 0.000000000000E+00 Surface tension*area energy for atom 641: 0.000000000000E+00 Surface tension*area energy for atom 642: 0.000000000000E+00 Surface tension*area energy for atom 643: 0.000000000000E+00 Surface tension*area energy for atom 644: 0.000000000000E+00 Surface tension*area energy for atom 645: 0.000000000000E+00 Surface tension*area energy for atom 646: 0.000000000000E+00 Surface tension*area energy for atom 647: 0.000000000000E+00 Surface tension*area energy for atom 648: 0.000000000000E+00 Surface tension*area energy for atom 649: 0.000000000000E+00 Surface tension*area energy for atom 650: 0.000000000000E+00 Surface tension*area energy for atom 651: 0.000000000000E+00 Surface tension*area energy for atom 652: 0.000000000000E+00 Surface tension*area energy for atom 653: 0.000000000000E+00 Surface tension*area energy for atom 654: 0.000000000000E+00 Surface tension*area energy for atom 655: 0.000000000000E+00 Surface tension*area energy for atom 656: 0.000000000000E+00 Surface tension*area energy for atom 657: 0.000000000000E+00 Surface tension*area energy for atom 658: 0.000000000000E+00 Surface tension*area energy for atom 659: 0.000000000000E+00 Surface tension*area energy for atom 660: 0.000000000000E+00 Surface tension*area energy for atom 661: 0.000000000000E+00 Surface tension*area energy for atom 662: 0.000000000000E+00 Surface tension*area energy for atom 663: 0.000000000000E+00 Surface tension*area energy for atom 664: 0.000000000000E+00 Surface tension*area energy for atom 665: 0.000000000000E+00 Surface tension*area energy for atom 666: 0.000000000000E+00 Surface tension*area energy for atom 667: 0.000000000000E+00 Surface tension*area energy for atom 668: 0.000000000000E+00 Surface tension*area energy for atom 669: 0.000000000000E+00 Surface tension*area energy for atom 670: 0.000000000000E+00 Surface tension*area energy for atom 671: 0.000000000000E+00 Surface tension*area energy for atom 672: 0.000000000000E+00 Surface tension*area energy for atom 673: 0.000000000000E+00 Surface tension*area energy for atom 674: 0.000000000000E+00 Surface tension*area energy for atom 675: 0.000000000000E+00 Surface tension*area energy for atom 676: 0.000000000000E+00 Surface tension*area energy for atom 677: 0.000000000000E+00 Surface tension*area energy for atom 678: 0.000000000000E+00 Surface tension*area energy for atom 679: 0.000000000000E+00 Surface tension*area energy for atom 680: 0.000000000000E+00 Surface tension*area energy for atom 681: 0.000000000000E+00 Surface tension*area energy for atom 682: 0.000000000000E+00 Surface tension*area energy for atom 683: 0.000000000000E+00 Surface tension*area energy for atom 684: 0.000000000000E+00 Surface tension*area energy for atom 685: 0.000000000000E+00 Surface tension*area energy for atom 686: 0.000000000000E+00 Surface tension*area energy for atom 687: 0.000000000000E+00 Surface tension*area energy for atom 688: 0.000000000000E+00 Surface tension*area energy for atom 689: 0.000000000000E+00 Surface tension*area energy for atom 690: 0.000000000000E+00 Surface tension*area energy for atom 691: 0.000000000000E+00 Surface tension*area energy for atom 692: 0.000000000000E+00 Surface tension*area energy for atom 693: 0.000000000000E+00 Surface tension*area energy for atom 694: 0.000000000000E+00 Surface tension*area energy for atom 695: 0.000000000000E+00 Surface tension*area energy for atom 696: 0.000000000000E+00 Surface tension*area energy for atom 697: 0.000000000000E+00 Surface tension*area energy for atom 698: 0.000000000000E+00 Surface tension*area energy for atom 699: 0.000000000000E+00 Surface tension*area energy for atom 700: 0.000000000000E+00 Surface tension*area energy for atom 701: 0.000000000000E+00 Surface tension*area energy for atom 702: 0.000000000000E+00 Surface tension*area energy for atom 703: 0.000000000000E+00 Surface tension*area energy for atom 704: 0.000000000000E+00 Surface tension*area energy for atom 705: 0.000000000000E+00 Surface tension*area energy for atom 706: 0.000000000000E+00 Surface tension*area energy for atom 707: 0.000000000000E+00 Surface tension*area energy for atom 708: 0.000000000000E+00 Surface tension*area energy for atom 709: 0.000000000000E+00 Surface tension*area energy for atom 710: 0.000000000000E+00 Surface tension*area energy for atom 711: 0.000000000000E+00 Surface tension*area energy for atom 712: 0.000000000000E+00 Surface tension*area energy for atom 713: 0.000000000000E+00 Surface tension*area energy for atom 714: 0.000000000000E+00 Surface tension*area energy for atom 715: 0.000000000000E+00 Surface tension*area energy for atom 716: 0.000000000000E+00 Surface tension*area energy for atom 717: 0.000000000000E+00 Surface tension*area energy for atom 718: 0.000000000000E+00 Surface tension*area energy for atom 719: 0.000000000000E+00 Surface tension*area energy for atom 720: 0.000000000000E+00 Surface tension*area energy for atom 721: 0.000000000000E+00 Surface tension*area energy for atom 722: 0.000000000000E+00 Surface tension*area energy for atom 723: 0.000000000000E+00 Surface tension*area energy for atom 724: 0.000000000000E+00 Surface tension*area energy for atom 725: 0.000000000000E+00 Surface tension*area energy for atom 726: 0.000000000000E+00 Surface tension*area energy for atom 727: 0.000000000000E+00 Surface tension*area energy for atom 728: 0.000000000000E+00 Surface tension*area energy for atom 729: 0.000000000000E+00 Surface tension*area energy for atom 730: 0.000000000000E+00 Surface tension*area energy for atom 731: 0.000000000000E+00 Surface tension*area energy for atom 732: 0.000000000000E+00 Surface tension*area energy for atom 733: 0.000000000000E+00 Surface tension*area energy for atom 734: 0.000000000000E+00 Surface tension*area energy for atom 735: 0.000000000000E+00 Surface tension*area energy for atom 736: 0.000000000000E+00 Surface tension*area energy for atom 737: 0.000000000000E+00 Surface tension*area energy for atom 738: 0.000000000000E+00 Surface tension*area energy for atom 739: 0.000000000000E+00 Surface tension*area energy for atom 740: 0.000000000000E+00 Surface tension*area energy for atom 741: 0.000000000000E+00 Surface tension*area energy for atom 742: 0.000000000000E+00 Surface tension*area energy for atom 743: 0.000000000000E+00 Surface tension*area energy for atom 744: 0.000000000000E+00 Surface tension*area energy for atom 745: 0.000000000000E+00 Surface tension*area energy for atom 746: 0.000000000000E+00 Surface tension*area energy for atom 747: 0.000000000000E+00 Surface tension*area energy for atom 748: 0.000000000000E+00 Surface tension*area energy for atom 749: 0.000000000000E+00 Surface tension*area energy for atom 750: 0.000000000000E+00 Surface tension*area energy for atom 751: 0.000000000000E+00 Surface tension*area energy for atom 752: 0.000000000000E+00 Surface tension*area energy for atom 753: 0.000000000000E+00 Surface tension*area energy for atom 754: 0.000000000000E+00 Surface tension*area energy for atom 755: 0.000000000000E+00 Surface tension*area energy for atom 756: 0.000000000000E+00 Surface tension*area energy for atom 757: 0.000000000000E+00 Surface tension*area energy for atom 758: 0.000000000000E+00 Surface tension*area energy for atom 759: 0.000000000000E+00 Surface tension*area energy for atom 760: 0.000000000000E+00 Surface tension*area energy for atom 761: 0.000000000000E+00 Surface tension*area energy for atom 762: 0.000000000000E+00 Surface tension*area energy for atom 763: 0.000000000000E+00 Surface tension*area energy for atom 764: 0.000000000000E+00 Surface tension*area energy for atom 765: 0.000000000000E+00 Surface tension*area energy for atom 766: 0.000000000000E+00 Surface tension*area energy for atom 767: 0.000000000000E+00 Surface tension*area energy for atom 768: 0.000000000000E+00 Surface tension*area energy for atom 769: 0.000000000000E+00 Surface tension*area energy for atom 770: 0.000000000000E+00 Surface tension*area energy for atom 771: 0.000000000000E+00 Surface tension*area energy for atom 772: 0.000000000000E+00 Surface tension*area energy for atom 773: 0.000000000000E+00 Surface tension*area energy for atom 774: 0.000000000000E+00 Surface tension*area energy for atom 775: 0.000000000000E+00 Surface tension*area energy for atom 776: 0.000000000000E+00 Surface tension*area energy for atom 777: 0.000000000000E+00 Surface tension*area energy for atom 778: 0.000000000000E+00 Surface tension*area energy for atom 779: 0.000000000000E+00 Surface tension*area energy for atom 780: 0.000000000000E+00 Surface tension*area energy for atom 781: 0.000000000000E+00 Surface tension*area energy for atom 782: 0.000000000000E+00 Surface tension*area energy for atom 783: 0.000000000000E+00 Surface tension*area energy for atom 784: 0.000000000000E+00 Surface tension*area energy for atom 785: 0.000000000000E+00 Surface tension*area energy for atom 786: 0.000000000000E+00 Surface tension*area energy for atom 787: 0.000000000000E+00 Surface tension*area energy for atom 788: 0.000000000000E+00 Surface tension*area energy for atom 789: 0.000000000000E+00 Surface tension*area energy for atom 790: 0.000000000000E+00 Surface tension*area energy for atom 791: 0.000000000000E+00 Surface tension*area energy for atom 792: 0.000000000000E+00 Surface tension*area energy for atom 793: 0.000000000000E+00 Surface tension*area energy for atom 794: 0.000000000000E+00 Surface tension*area energy for atom 795: 0.000000000000E+00 Surface tension*area energy for atom 796: 0.000000000000E+00 Surface tension*area energy for atom 797: 0.000000000000E+00 Surface tension*area energy for atom 798: 0.000000000000E+00 Surface tension*area energy for atom 799: 0.000000000000E+00 Surface tension*area energy for atom 800: 0.000000000000E+00 Surface tension*area energy for atom 801: 0.000000000000E+00 Surface tension*area energy for atom 802: 0.000000000000E+00 Surface tension*area energy for atom 803: 0.000000000000E+00 Surface tension*area energy for atom 804: 0.000000000000E+00 Surface tension*area energy for atom 805: 0.000000000000E+00 Surface tension*area energy for atom 806: 0.000000000000E+00 Surface tension*area energy for atom 807: 0.000000000000E+00 Surface tension*area energy for atom 808: 0.000000000000E+00 Surface tension*area energy for atom 809: 0.000000000000E+00 Surface tension*area energy for atom 810: 0.000000000000E+00 Surface tension*area energy for atom 811: 0.000000000000E+00 Surface tension*area energy for atom 812: 0.000000000000E+00 Surface tension*area energy for atom 813: 0.000000000000E+00 Surface tension*area energy for atom 814: 0.000000000000E+00 Surface tension*area energy for atom 815: 0.000000000000E+00 Surface tension*area energy for atom 816: 0.000000000000E+00 Surface tension*area energy for atom 817: 0.000000000000E+00 Surface tension*area energy for atom 818: 0.000000000000E+00 Surface tension*area energy for atom 819: 0.000000000000E+00 Surface tension*area energy for atom 820: 0.000000000000E+00 Surface tension*area energy for atom 821: 0.000000000000E+00 Surface tension*area energy for atom 822: 0.000000000000E+00 Surface tension*area energy for atom 823: 0.000000000000E+00 Surface tension*area energy for atom 824: 0.000000000000E+00 Surface tension*area energy for atom 825: 0.000000000000E+00 Surface tension*area energy for atom 826: 0.000000000000E+00 Surface tension*area energy for atom 827: 0.000000000000E+00 Surface tension*area energy for atom 828: 0.000000000000E+00 Surface tension*area energy for atom 829: 0.000000000000E+00 Surface tension*area energy for atom 830: 0.000000000000E+00 Surface tension*area energy for atom 831: 0.000000000000E+00 Surface tension*area energy for atom 832: 0.000000000000E+00 Surface tension*area energy for atom 833: 0.000000000000E+00 Surface tension*area energy for atom 834: 0.000000000000E+00 Surface tension*area energy for atom 835: 0.000000000000E+00 Surface tension*area energy for atom 836: 0.000000000000E+00 Surface tension*area energy for atom 837: 0.000000000000E+00 Surface tension*area energy for atom 838: 0.000000000000E+00 Surface tension*area energy for atom 839: 0.000000000000E+00 Surface tension*area energy for atom 840: 0.000000000000E+00 Surface tension*area energy for atom 841: 0.000000000000E+00 Surface tension*area energy for atom 842: 0.000000000000E+00 Surface tension*area energy for atom 843: 0.000000000000E+00 Surface tension*area energy for atom 844: 0.000000000000E+00 Surface tension*area energy for atom 845: 0.000000000000E+00 Surface tension*area energy for atom 846: 0.000000000000E+00 Surface tension*area energy for atom 847: 0.000000000000E+00 Surface tension*area energy for atom 848: 0.000000000000E+00 Surface tension*area energy for atom 849: 0.000000000000E+00 Surface tension*area energy for atom 850: 0.000000000000E+00 Surface tension*area energy for atom 851: 0.000000000000E+00 Surface tension*area energy for atom 852: 0.000000000000E+00 Surface tension*area energy for atom 853: 0.000000000000E+00 Surface tension*area energy for atom 854: 0.000000000000E+00 Surface tension*area energy for atom 855: 0.000000000000E+00 Surface tension*area energy for atom 856: 0.000000000000E+00 Surface tension*area energy for atom 857: 0.000000000000E+00 Surface tension*area energy for atom 858: 0.000000000000E+00 Surface tension*area energy for atom 859: 0.000000000000E+00 Surface tension*area energy for atom 860: 0.000000000000E+00 Surface tension*area energy for atom 861: 0.000000000000E+00 Surface tension*area energy for atom 862: 0.000000000000E+00 Surface tension*area energy for atom 863: 0.000000000000E+00 Surface tension*area energy for atom 864: 0.000000000000E+00 Surface tension*area energy for atom 865: 0.000000000000E+00 Surface tension*area energy for atom 866: 0.000000000000E+00 Surface tension*area energy for atom 867: 0.000000000000E+00 Surface tension*area energy for atom 868: 0.000000000000E+00 Surface tension*area energy for atom 869: 0.000000000000E+00 Surface tension*area energy for atom 870: 0.000000000000E+00 Surface tension*area energy for atom 871: 0.000000000000E+00 Surface tension*area energy for atom 872: 0.000000000000E+00 Surface tension*area energy for atom 873: 0.000000000000E+00 Surface tension*area energy for atom 874: 0.000000000000E+00 Surface tension*area energy for atom 875: 0.000000000000E+00 Surface tension*area energy for atom 876: 0.000000000000E+00 Surface tension*area energy for atom 877: 0.000000000000E+00 Surface tension*area energy for atom 878: 0.000000000000E+00 Surface tension*area energy for atom 879: 0.000000000000E+00 Surface tension*area energy for atom 880: 0.000000000000E+00 Surface tension*area energy for atom 881: 0.000000000000E+00 Surface tension*area energy for atom 882: 0.000000000000E+00 Surface tension*area energy for atom 883: 0.000000000000E+00 Surface tension*area energy for atom 884: 0.000000000000E+00 Surface tension*area energy for atom 885: 0.000000000000E+00 Surface tension*area energy for atom 886: 0.000000000000E+00 Surface tension*area energy for atom 887: 0.000000000000E+00 Surface tension*area energy for atom 888: 0.000000000000E+00 Surface tension*area energy for atom 889: 0.000000000000E+00 Surface tension*area energy for atom 890: 0.000000000000E+00 Surface tension*area energy for atom 891: 0.000000000000E+00 Surface tension*area energy for atom 892: 0.000000000000E+00 Surface tension*area energy for atom 893: 0.000000000000E+00 Surface tension*area energy for atom 894: 0.000000000000E+00 Surface tension*area energy for atom 895: 0.000000000000E+00 Surface tension*area energy for atom 896: 0.000000000000E+00 Surface tension*area energy for atom 897: 0.000000000000E+00 Surface tension*area energy for atom 898: 0.000000000000E+00 Surface tension*area energy for atom 899: 0.000000000000E+00 Surface tension*area energy for atom 900: 0.000000000000E+00 Surface tension*area energy for atom 901: 0.000000000000E+00 Surface tension*area energy for atom 902: 0.000000000000E+00 Surface tension*area energy for atom 903: 0.000000000000E+00 Surface tension*area energy for atom 904: 0.000000000000E+00 Surface tension*area energy for atom 905: 0.000000000000E+00 Surface tension*area energy for atom 906: 0.000000000000E+00 Surface tension*area energy for atom 907: 0.000000000000E+00 Surface tension*area energy for atom 908: 0.000000000000E+00 Surface tension*area energy for atom 909: 0.000000000000E+00 Surface tension*area energy for atom 910: 0.000000000000E+00 Surface tension*area energy for atom 911: 0.000000000000E+00 Surface tension*area energy for atom 912: 0.000000000000E+00 Surface tension*area energy for atom 913: 0.000000000000E+00 Surface tension*area energy for atom 914: 0.000000000000E+00 Surface tension*area energy for atom 915: 0.000000000000E+00 Surface tension*area energy for atom 916: 0.000000000000E+00 Surface tension*area energy for atom 917: 0.000000000000E+00 Surface tension*area energy for atom 918: 0.000000000000E+00 Surface tension*area energy for atom 919: 0.000000000000E+00 Surface tension*area energy for atom 920: 0.000000000000E+00 Surface tension*area energy for atom 921: 0.000000000000E+00 Surface tension*area energy for atom 922: 0.000000000000E+00 Surface tension*area energy for atom 923: 0.000000000000E+00 Surface tension*area energy for atom 924: 0.000000000000E+00 Surface tension*area energy for atom 925: 0.000000000000E+00 Surface tension*area energy for atom 926: 0.000000000000E+00 Surface tension*area energy for atom 927: 0.000000000000E+00 Surface tension*area energy for atom 928: 0.000000000000E+00 Surface tension*area energy for atom 929: 0.000000000000E+00 Surface tension*area energy for atom 930: 0.000000000000E+00 Surface tension*area energy for atom 931: 0.000000000000E+00 Surface tension*area energy for atom 932: 0.000000000000E+00 Surface tension*area energy for atom 933: 0.000000000000E+00 Surface tension*area energy for atom 934: 0.000000000000E+00 Surface tension*area energy for atom 935: 0.000000000000E+00 Surface tension*area energy for atom 936: 0.000000000000E+00 Surface tension*area energy for atom 937: 0.000000000000E+00 Surface tension*area energy for atom 938: 0.000000000000E+00 Surface tension*area energy for atom 939: 0.000000000000E+00 Surface tension*area energy for atom 940: 0.000000000000E+00 Surface tension*area energy for atom 941: 0.000000000000E+00 Surface tension*area energy for atom 942: 0.000000000000E+00 Surface tension*area energy for atom 943: 0.000000000000E+00 Surface tension*area energy for atom 944: 0.000000000000E+00 Surface tension*area energy for atom 945: 0.000000000000E+00 Surface tension*area energy for atom 946: 0.000000000000E+00 Surface tension*area energy for atom 947: 0.000000000000E+00 Surface tension*area energy for atom 948: 0.000000000000E+00 Surface tension*area energy for atom 949: 0.000000000000E+00 Surface tension*area energy for atom 950: 0.000000000000E+00 Surface tension*area energy for atom 951: 0.000000000000E+00 Surface tension*area energy for atom 952: 0.000000000000E+00 Surface tension*area energy for atom 953: 0.000000000000E+00 Surface tension*area energy for atom 954: 0.000000000000E+00 Surface tension*area energy for atom 955: 0.000000000000E+00 Surface tension*area energy for atom 956: 0.000000000000E+00 Surface tension*area energy for atom 957: 0.000000000000E+00 Surface tension*area energy for atom 958: 0.000000000000E+00 Surface tension*area energy for atom 959: 0.000000000000E+00 Surface tension*area energy for atom 960: 0.000000000000E+00 Surface tension*area energy for atom 961: 0.000000000000E+00 Surface tension*area energy for atom 962: 0.000000000000E+00 Surface tension*area energy for atom 963: 0.000000000000E+00 Surface tension*area energy for atom 964: 0.000000000000E+00 Surface tension*area energy for atom 965: 0.000000000000E+00 Surface tension*area energy for atom 966: 0.000000000000E+00 Surface tension*area energy for atom 967: 0.000000000000E+00 Surface tension*area energy for atom 968: 0.000000000000E+00 Surface tension*area energy for atom 969: 0.000000000000E+00 Surface tension*area energy for atom 970: 0.000000000000E+00 Surface tension*area energy for atom 971: 0.000000000000E+00 Surface tension*area energy for atom 972: 0.000000000000E+00 Surface tension*area energy for atom 973: 0.000000000000E+00 Surface tension*area energy for atom 974: 0.000000000000E+00 Surface tension*area energy for atom 975: 0.000000000000E+00 Surface tension*area energy for atom 976: 0.000000000000E+00 Surface tension*area energy for atom 977: 0.000000000000E+00 Surface tension*area energy for atom 978: 0.000000000000E+00 Surface tension*area energy for atom 979: 0.000000000000E+00 Surface tension*area energy for atom 980: 0.000000000000E+00 Surface tension*area energy for atom 981: 0.000000000000E+00 Surface tension*area energy for atom 982: 0.000000000000E+00 Surface tension*area energy for atom 983: 0.000000000000E+00 Surface tension*area energy for atom 984: 0.000000000000E+00 Surface tension*area energy for atom 985: 0.000000000000E+00 Surface tension*area energy for atom 986: 0.000000000000E+00 Surface tension*area energy for atom 987: 0.000000000000E+00 Surface tension*area energy for atom 988: 0.000000000000E+00 Surface tension*area energy for atom 989: 0.000000000000E+00 Surface tension*area energy for atom 990: 0.000000000000E+00 Surface tension*area energy for atom 991: 0.000000000000E+00 Surface tension*area energy for atom 992: 0.000000000000E+00 Surface tension*area energy for atom 993: 0.000000000000E+00 Surface tension*area energy for atom 994: 0.000000000000E+00 Surface tension*area energy for atom 995: 0.000000000000E+00 Surface tension*area energy for atom 996: 0.000000000000E+00 Surface tension*area energy for atom 997: 0.000000000000E+00 Surface tension*area energy for atom 998: 0.000000000000E+00 Surface tension*area energy for atom 999: 0.000000000000E+00 Surface tension*area energy for atom 1000: 0.000000000000E+00 Surface tension*area energy for atom 1001: 0.000000000000E+00 Surface tension*area energy for atom 1002: 0.000000000000E+00 Surface tension*area energy for atom 1003: 0.000000000000E+00 Surface tension*area energy for atom 1004: 0.000000000000E+00 Surface tension*area energy for atom 1005: 0.000000000000E+00 Surface tension*area energy for atom 1006: 0.000000000000E+00 Surface tension*area energy for atom 1007: 0.000000000000E+00 Surface tension*area energy for atom 1008: 0.000000000000E+00 Surface tension*area energy for atom 1009: 0.000000000000E+00 Surface tension*area energy for atom 1010: 0.000000000000E+00 Surface tension*area energy for atom 1011: 0.000000000000E+00 Surface tension*area energy for atom 1012: 0.000000000000E+00 Surface tension*area energy for atom 1013: 0.000000000000E+00 Surface tension*area energy for atom 1014: 0.000000000000E+00 Surface tension*area energy for atom 1015: 0.000000000000E+00 Surface tension*area energy for atom 1016: 0.000000000000E+00 Surface tension*area energy for atom 1017: 0.000000000000E+00 Surface tension*area energy for atom 1018: 0.000000000000E+00 Surface tension*area energy for atom 1019: 0.000000000000E+00 Surface tension*area energy for atom 1020: 0.000000000000E+00 Surface tension*area energy for atom 1021: 0.000000000000E+00 Surface tension*area energy for atom 1022: 0.000000000000E+00 Surface tension*area energy for atom 1023: 0.000000000000E+00 Surface tension*area energy for atom 1024: 0.000000000000E+00 Surface tension*area energy for atom 1025: 0.000000000000E+00 Surface tension*area energy for atom 1026: 0.000000000000E+00 Surface tension*area energy for atom 1027: 0.000000000000E+00 Surface tension*area energy for atom 1028: 0.000000000000E+00 Surface tension*area energy for atom 1029: 0.000000000000E+00 Surface tension*area energy for atom 1030: 0.000000000000E+00 Surface tension*area energy for atom 1031: 0.000000000000E+00 Surface tension*area energy for atom 1032: 0.000000000000E+00 Surface tension*area energy for atom 1033: 0.000000000000E+00 Surface tension*area energy for atom 1034: 0.000000000000E+00 Surface tension*area energy for atom 1035: 0.000000000000E+00 Surface tension*area energy for atom 1036: 0.000000000000E+00 Surface tension*area energy for atom 1037: 0.000000000000E+00 Surface tension*area energy for atom 1038: 0.000000000000E+00 Surface tension*area energy for atom 1039: 0.000000000000E+00 Surface tension*area energy for atom 1040: 0.000000000000E+00 Surface tension*area energy for atom 1041: 0.000000000000E+00 Surface tension*area energy for atom 1042: 0.000000000000E+00 Surface tension*area energy for atom 1043: 0.000000000000E+00 Surface tension*area energy for atom 1044: 0.000000000000E+00 Surface tension*area energy for atom 1045: 0.000000000000E+00 Surface tension*area energy for atom 1046: 0.000000000000E+00 Surface tension*area energy for atom 1047: 0.000000000000E+00 Surface tension*area energy for atom 1048: 0.000000000000E+00 Surface tension*area energy for atom 1049: 0.000000000000E+00 Surface tension*area energy for atom 1050: 0.000000000000E+00 Surface tension*area energy for atom 1051: 0.000000000000E+00 Surface tension*area energy for atom 1052: 0.000000000000E+00 Surface tension*area energy for atom 1053: 0.000000000000E+00 Surface tension*area energy for atom 1054: 0.000000000000E+00 Surface tension*area energy for atom 1055: 0.000000000000E+00 Surface tension*area energy for atom 1056: 0.000000000000E+00 Surface tension*area energy for atom 1057: 0.000000000000E+00 Surface tension*area energy for atom 1058: 0.000000000000E+00 Surface tension*area energy for atom 1059: 0.000000000000E+00 Surface tension*area energy for atom 1060: 0.000000000000E+00 Surface tension*area energy for atom 1061: 0.000000000000E+00 Surface tension*area energy for atom 1062: 0.000000000000E+00 Surface tension*area energy for atom 1063: 0.000000000000E+00 Surface tension*area energy for atom 1064: 0.000000000000E+00 Surface tension*area energy for atom 1065: 0.000000000000E+00 Surface tension*area energy for atom 1066: 0.000000000000E+00 Surface tension*area energy for atom 1067: 0.000000000000E+00 Surface tension*area energy for atom 1068: 0.000000000000E+00 Surface tension*area energy for atom 1069: 0.000000000000E+00 Surface tension*area energy for atom 1070: 0.000000000000E+00 Surface tension*area energy for atom 1071: 0.000000000000E+00 Surface tension*area energy for atom 1072: 0.000000000000E+00 Surface tension*area energy for atom 1073: 0.000000000000E+00 Surface tension*area energy for atom 1074: 0.000000000000E+00 Surface tension*area energy for atom 1075: 0.000000000000E+00 Surface tension*area energy for atom 1076: 0.000000000000E+00 Surface tension*area energy for atom 1077: 0.000000000000E+00 Surface tension*area energy for atom 1078: 0.000000000000E+00 Surface tension*area energy for atom 1079: 0.000000000000E+00 Surface tension*area energy for atom 1080: 0.000000000000E+00 Surface tension*area energy for atom 1081: 0.000000000000E+00 Surface tension*area energy for atom 1082: 0.000000000000E+00 Surface tension*area energy for atom 1083: 0.000000000000E+00 Surface tension*area energy for atom 1084: 0.000000000000E+00 Surface tension*area energy for atom 1085: 0.000000000000E+00 Surface tension*area energy for atom 1086: 0.000000000000E+00 Surface tension*area energy for atom 1087: 0.000000000000E+00 Surface tension*area energy for atom 1088: 0.000000000000E+00 Surface tension*area energy for atom 1089: 0.000000000000E+00 Surface tension*area energy for atom 1090: 0.000000000000E+00 Surface tension*area energy for atom 1091: 0.000000000000E+00 Surface tension*area energy for atom 1092: 0.000000000000E+00 Surface tension*area energy for atom 1093: 0.000000000000E+00 Surface tension*area energy for atom 1094: 0.000000000000E+00 Surface tension*area energy for atom 1095: 0.000000000000E+00 Surface tension*area energy for atom 1096: 0.000000000000E+00 Surface tension*area energy for atom 1097: 0.000000000000E+00 Surface tension*area energy for atom 1098: 0.000000000000E+00 Surface tension*area energy for atom 1099: 0.000000000000E+00 Surface tension*area energy for atom 1100: 0.000000000000E+00 Surface tension*area energy for atom 1101: 0.000000000000E+00 Surface tension*area energy for atom 1102: 0.000000000000E+00 Surface tension*area energy for atom 1103: 0.000000000000E+00 Surface tension*area energy for atom 1104: 0.000000000000E+00 Surface tension*area energy for atom 1105: 0.000000000000E+00 Surface tension*area energy for atom 1106: 0.000000000000E+00 Surface tension*area energy for atom 1107: 0.000000000000E+00 Surface tension*area energy for atom 1108: 0.000000000000E+00 Surface tension*area energy for atom 1109: 0.000000000000E+00 Surface tension*area energy for atom 1110: 0.000000000000E+00 Surface tension*area energy for atom 1111: 0.000000000000E+00 Surface tension*area energy for atom 1112: 0.000000000000E+00 Surface tension*area energy for atom 1113: 0.000000000000E+00 Surface tension*area energy for atom 1114: 0.000000000000E+00 Surface tension*area energy for atom 1115: 0.000000000000E+00 Surface tension*area energy for atom 1116: 0.000000000000E+00 Surface tension*area energy for atom 1117: 0.000000000000E+00 Surface tension*area energy for atom 1118: 0.000000000000E+00 Surface tension*area energy for atom 1119: 0.000000000000E+00 Surface tension*area energy for atom 1120: 0.000000000000E+00 Surface tension*area energy for atom 1121: 0.000000000000E+00 Surface tension*area energy for atom 1122: 0.000000000000E+00 Surface tension*area energy for atom 1123: 0.000000000000E+00 Surface tension*area energy for atom 1124: 0.000000000000E+00 Surface tension*area energy for atom 1125: 0.000000000000E+00 Surface tension*area energy for atom 1126: 0.000000000000E+00 Surface tension*area energy for atom 1127: 0.000000000000E+00 Surface tension*area energy for atom 1128: 0.000000000000E+00 Surface tension*area energy for atom 1129: 0.000000000000E+00 Surface tension*area energy for atom 1130: 0.000000000000E+00 Surface tension*area energy for atom 1131: 0.000000000000E+00 Surface tension*area energy for atom 1132: 0.000000000000E+00 Surface tension*area energy for atom 1133: 0.000000000000E+00 Surface tension*area energy for atom 1134: 0.000000000000E+00 Surface tension*area energy for atom 1135: 0.000000000000E+00 Surface tension*area energy for atom 1136: 0.000000000000E+00 Surface tension*area energy for atom 1137: 0.000000000000E+00 Surface tension*area energy for atom 1138: 0.000000000000E+00 Surface tension*area energy for atom 1139: 0.000000000000E+00 Surface tension*area energy for atom 1140: 0.000000000000E+00 Surface tension*area energy for atom 1141: 0.000000000000E+00 Surface tension*area energy for atom 1142: 0.000000000000E+00 Surface tension*area energy for atom 1143: 0.000000000000E+00 Surface tension*area energy for atom 1144: 0.000000000000E+00 Surface tension*area energy for atom 1145: 0.000000000000E+00 Surface tension*area energy for atom 1146: 0.000000000000E+00 Surface tension*area energy for atom 1147: 0.000000000000E+00 Surface tension*area energy for atom 1148: 0.000000000000E+00 Surface tension*area energy for atom 1149: 0.000000000000E+00 Surface tension*area energy for atom 1150: 0.000000000000E+00 Surface tension*area energy for atom 1151: 0.000000000000E+00 Surface tension*area energy for atom 1152: 0.000000000000E+00 Surface tension*area energy for atom 1153: 0.000000000000E+00 Surface tension*area energy for atom 1154: 0.000000000000E+00 Surface tension*area energy for atom 1155: 0.000000000000E+00 Surface tension*area energy for atom 1156: 0.000000000000E+00 Surface tension*area energy for atom 1157: 0.000000000000E+00 Surface tension*area energy for atom 1158: 0.000000000000E+00 Surface tension*area energy for atom 1159: 0.000000000000E+00 Surface tension*area energy for atom 1160: 0.000000000000E+00 Surface tension*area energy for atom 1161: 0.000000000000E+00 Surface tension*area energy for atom 1162: 0.000000000000E+00 Surface tension*area energy for atom 1163: 0.000000000000E+00 Surface tension*area energy for atom 1164: 0.000000000000E+00 Surface tension*area energy for atom 1165: 0.000000000000E+00 Surface tension*area energy for atom 1166: 0.000000000000E+00 Surface tension*area energy for atom 1167: 0.000000000000E+00 Surface tension*area energy for atom 1168: 0.000000000000E+00 Surface tension*area energy for atom 1169: 0.000000000000E+00 Surface tension*area energy for atom 1170: 0.000000000000E+00 Surface tension*area energy for atom 1171: 0.000000000000E+00 Surface tension*area energy for atom 1172: 0.000000000000E+00 Surface tension*area energy for atom 1173: 0.000000000000E+00 Surface tension*area energy for atom 1174: 0.000000000000E+00 Surface tension*area energy for atom 1175: 0.000000000000E+00 Surface tension*area energy for atom 1176: 0.000000000000E+00 Surface tension*area energy for atom 1177: 0.000000000000E+00 Surface tension*area energy for atom 1178: 0.000000000000E+00 Surface tension*area energy for atom 1179: 0.000000000000E+00 Surface tension*area energy for atom 1180: 0.000000000000E+00 Surface tension*area energy for atom 1181: 0.000000000000E+00 Surface tension*area energy for atom 1182: 0.000000000000E+00 Surface tension*area energy for atom 1183: 0.000000000000E+00 Surface tension*area energy for atom 1184: 0.000000000000E+00 Surface tension*area energy for atom 1185: 0.000000000000E+00 Surface tension*area energy for atom 1186: 0.000000000000E+00 Surface tension*area energy for atom 1187: 0.000000000000E+00 Surface tension*area energy for atom 1188: 0.000000000000E+00 Surface tension*area energy for atom 1189: 0.000000000000E+00 Surface tension*area energy for atom 1190: 0.000000000000E+00 Surface tension*area energy for atom 1191: 0.000000000000E+00 Surface tension*area energy for atom 1192: 0.000000000000E+00 Surface tension*area energy for atom 1193: 0.000000000000E+00 Surface tension*area energy for atom 1194: 0.000000000000E+00 Surface tension*area energy for atom 1195: 0.000000000000E+00 Surface tension*area energy for atom 1196: 0.000000000000E+00 Surface tension*area energy for atom 1197: 0.000000000000E+00 Surface tension*area energy for atom 1198: 0.000000000000E+00 Surface tension*area energy for atom 1199: 0.000000000000E+00 Surface tension*area energy for atom 1200: 0.000000000000E+00 Surface tension*area energy for atom 1201: 0.000000000000E+00 Surface tension*area energy for atom 1202: 0.000000000000E+00 Surface tension*area energy for atom 1203: 0.000000000000E+00 Surface tension*area energy for atom 1204: 0.000000000000E+00 Surface tension*area energy for atom 1205: 0.000000000000E+00 Surface tension*area energy for atom 1206: 0.000000000000E+00 Surface tension*area energy for atom 1207: 0.000000000000E+00 Surface tension*area energy for atom 1208: 0.000000000000E+00 Surface tension*area energy for atom 1209: 0.000000000000E+00 Surface tension*area energy for atom 1210: 0.000000000000E+00 Surface tension*area energy for atom 1211: 0.000000000000E+00 Surface tension*area energy for atom 1212: 0.000000000000E+00 Surface tension*area energy for atom 1213: 0.000000000000E+00 Surface tension*area energy for atom 1214: 0.000000000000E+00 Surface tension*area energy for atom 1215: 0.000000000000E+00 Surface tension*area energy for atom 1216: 0.000000000000E+00 Surface tension*area energy for atom 1217: 0.000000000000E+00 Surface tension*area energy for atom 1218: 0.000000000000E+00 Surface tension*area energy for atom 1219: 0.000000000000E+00 Surface tension*area energy for atom 1220: 0.000000000000E+00 Surface tension*area energy for atom 1221: 0.000000000000E+00 Surface tension*area energy for atom 1222: 0.000000000000E+00 Surface tension*area energy for atom 1223: 0.000000000000E+00 Surface tension*area energy for atom 1224: 0.000000000000E+00 Surface tension*area energy for atom 1225: 0.000000000000E+00 Surface tension*area energy for atom 1226: 0.000000000000E+00 Surface tension*area energy for atom 1227: 0.000000000000E+00 Surface tension*area energy for atom 1228: 0.000000000000E+00 Surface tension*area energy for atom 1229: 0.000000000000E+00 Surface tension*area energy for atom 1230: 0.000000000000E+00 Surface tension*area energy for atom 1231: 0.000000000000E+00 Surface tension*area energy for atom 1232: 0.000000000000E+00 Surface tension*area energy for atom 1233: 0.000000000000E+00 Surface tension*area energy for atom 1234: 0.000000000000E+00 Surface tension*area energy for atom 1235: 0.000000000000E+00 Surface tension*area energy for atom 1236: 0.000000000000E+00 Surface tension*area energy for atom 1237: 0.000000000000E+00 Surface tension*area energy for atom 1238: 0.000000000000E+00 Surface tension*area energy for atom 1239: 0.000000000000E+00 Surface tension*area energy for atom 1240: 0.000000000000E+00 Surface tension*area energy for atom 1241: 0.000000000000E+00 Surface tension*area energy for atom 1242: 0.000000000000E+00 Surface tension*area energy for atom 1243: 0.000000000000E+00 Surface tension*area energy for atom 1244: 0.000000000000E+00 Surface tension*area energy for atom 1245: 0.000000000000E+00 Surface tension*area energy for atom 1246: 0.000000000000E+00 Surface tension*area energy for atom 1247: 0.000000000000E+00 Surface tension*area energy for atom 1248: 0.000000000000E+00 Surface tension*area energy for atom 1249: 0.000000000000E+00 Surface tension*area energy for atom 1250: 0.000000000000E+00 Surface tension*area energy for atom 1251: 0.000000000000E+00 Surface tension*area energy for atom 1252: 0.000000000000E+00 Surface tension*area energy for atom 1253: 0.000000000000E+00 Surface tension*area energy for atom 1254: 0.000000000000E+00 Surface tension*area energy for atom 1255: 0.000000000000E+00 Surface tension*area energy for atom 1256: 0.000000000000E+00 Surface tension*area energy for atom 1257: 0.000000000000E+00 Surface tension*area energy for atom 1258: 0.000000000000E+00 Surface tension*area energy for atom 1259: 0.000000000000E+00 Surface tension*area energy for atom 1260: 0.000000000000E+00 Surface tension*area energy for atom 1261: 0.000000000000E+00 Surface tension*area energy for atom 1262: 0.000000000000E+00 Surface tension*area energy for atom 1263: 0.000000000000E+00 Surface tension*area energy for atom 1264: 0.000000000000E+00 Surface tension*area energy for atom 1265: 0.000000000000E+00 Surface tension*area energy for atom 1266: 0.000000000000E+00 Surface tension*area energy for atom 1267: 0.000000000000E+00 Surface tension*area energy for atom 1268: 0.000000000000E+00 Surface tension*area energy for atom 1269: 0.000000000000E+00 Surface tension*area energy for atom 1270: 0.000000000000E+00 Surface tension*area energy for atom 1271: 0.000000000000E+00 Surface tension*area energy for atom 1272: 0.000000000000E+00 Surface tension*area energy for atom 1273: 0.000000000000E+00 Surface tension*area energy for atom 1274: 0.000000000000E+00 Surface tension*area energy for atom 1275: 0.000000000000E+00 Surface tension*area energy for atom 1276: 0.000000000000E+00 Surface tension*area energy for atom 1277: 0.000000000000E+00 Surface tension*area energy for atom 1278: 0.000000000000E+00 Surface tension*area energy for atom 1279: 0.000000000000E+00 Surface tension*area energy for atom 1280: 0.000000000000E+00 Surface tension*area energy for atom 1281: 0.000000000000E+00 Surface tension*area energy for atom 1282: 0.000000000000E+00 Surface tension*area energy for atom 1283: 0.000000000000E+00 Surface tension*area energy for atom 1284: 0.000000000000E+00 Surface tension*area energy for atom 1285: 0.000000000000E+00 Surface tension*area energy for atom 1286: 0.000000000000E+00 Surface tension*area energy for atom 1287: 0.000000000000E+00 Surface tension*area energy for atom 1288: 0.000000000000E+00 Surface tension*area energy for atom 1289: 0.000000000000E+00 Surface tension*area energy for atom 1290: 0.000000000000E+00 Surface tension*area energy for atom 1291: 0.000000000000E+00 Surface tension*area energy for atom 1292: 0.000000000000E+00 Surface tension*area energy for atom 1293: 0.000000000000E+00 Surface tension*area energy for atom 1294: 0.000000000000E+00 Surface tension*area energy for atom 1295: 0.000000000000E+00 Surface tension*area energy for atom 1296: 0.000000000000E+00 Surface tension*area energy for atom 1297: 0.000000000000E+00 Surface tension*area energy for atom 1298: 0.000000000000E+00 Surface tension*area energy for atom 1299: 0.000000000000E+00 Surface tension*area energy for atom 1300: 0.000000000000E+00 Surface tension*area energy for atom 1301: 0.000000000000E+00 Surface tension*area energy for atom 1302: 0.000000000000E+00 Surface tension*area energy for atom 1303: 0.000000000000E+00 Surface tension*area energy for atom 1304: 0.000000000000E+00 Surface tension*area energy for atom 1305: 0.000000000000E+00 Surface tension*area energy for atom 1306: 0.000000000000E+00 Surface tension*area energy for atom 1307: 0.000000000000E+00 Surface tension*area energy for atom 1308: 0.000000000000E+00 Surface tension*area energy for atom 1309: 0.000000000000E+00 Surface tension*area energy for atom 1310: 0.000000000000E+00 Surface tension*area energy for atom 1311: 0.000000000000E+00 Surface tension*area energy for atom 1312: 0.000000000000E+00 Surface tension*area energy for atom 1313: 0.000000000000E+00 Surface tension*area energy for atom 1314: 0.000000000000E+00 Surface tension*area energy for atom 1315: 0.000000000000E+00 Surface tension*area energy for atom 1316: 0.000000000000E+00 Surface tension*area energy for atom 1317: 0.000000000000E+00 Surface tension*area energy for atom 1318: 0.000000000000E+00 Surface tension*area energy for atom 1319: 0.000000000000E+00 Surface tension*area energy for atom 1320: 0.000000000000E+00 Surface tension*area energy for atom 1321: 0.000000000000E+00 Surface tension*area energy for atom 1322: 0.000000000000E+00 Surface tension*area energy for atom 1323: 0.000000000000E+00 Surface tension*area energy for atom 1324: 0.000000000000E+00 Surface tension*area energy for atom 1325: 0.000000000000E+00 Surface tension*area energy for atom 1326: 0.000000000000E+00 Surface tension*area energy for atom 1327: 0.000000000000E+00 Surface tension*area energy for atom 1328: 0.000000000000E+00 Surface tension*area energy for atom 1329: 0.000000000000E+00 Surface tension*area energy for atom 1330: 0.000000000000E+00 Surface tension*area energy for atom 1331: 0.000000000000E+00 Surface tension*area energy for atom 1332: 0.000000000000E+00 Surface tension*area energy for atom 1333: 0.000000000000E+00 Surface tension*area energy for atom 1334: 0.000000000000E+00 Surface tension*area energy for atom 1335: 0.000000000000E+00 Surface tension*area energy for atom 1336: 0.000000000000E+00 Surface tension*area energy for atom 1337: 0.000000000000E+00 Surface tension*area energy for atom 1338: 0.000000000000E+00 Surface tension*area energy for atom 1339: 0.000000000000E+00 Surface tension*area energy for atom 1340: 0.000000000000E+00 Surface tension*area energy for atom 1341: 0.000000000000E+00 Surface tension*area energy for atom 1342: 0.000000000000E+00 Surface tension*area energy for atom 1343: 0.000000000000E+00 Surface tension*area energy for atom 1344: 0.000000000000E+00 Surface tension*area energy for atom 1345: 0.000000000000E+00 Surface tension*area energy for atom 1346: 0.000000000000E+00 Surface tension*area energy for atom 1347: 0.000000000000E+00 Surface tension*area energy for atom 1348: 0.000000000000E+00 Surface tension*area energy for atom 1349: 0.000000000000E+00 Surface tension*area energy for atom 1350: 0.000000000000E+00 Surface tension*area energy for atom 1351: 0.000000000000E+00 Surface tension*area energy for atom 1352: 0.000000000000E+00 Surface tension*area energy for atom 1353: 0.000000000000E+00 Surface tension*area energy for atom 1354: 0.000000000000E+00 Surface tension*area energy for atom 1355: 0.000000000000E+00 Surface tension*area energy for atom 1356: 0.000000000000E+00 Surface tension*area energy for atom 1357: 0.000000000000E+00 Surface tension*area energy for atom 1358: 0.000000000000E+00 Surface tension*area energy for atom 1359: 0.000000000000E+00 Surface tension*area energy for atom 1360: 0.000000000000E+00 Surface tension*area energy for atom 1361: 0.000000000000E+00 Surface tension*area energy for atom 1362: 0.000000000000E+00 Surface tension*area energy for atom 1363: 0.000000000000E+00 Surface tension*area energy for atom 1364: 0.000000000000E+00 Surface tension*area energy for atom 1365: 0.000000000000E+00 Surface tension*area energy for atom 1366: 0.000000000000E+00 Surface tension*area energy for atom 1367: 0.000000000000E+00 Surface tension*area energy for atom 1368: 0.000000000000E+00 Surface tension*area energy for atom 1369: 0.000000000000E+00 Surface tension*area energy for atom 1370: 0.000000000000E+00 Surface tension*area energy for atom 1371: 0.000000000000E+00 Surface tension*area energy for atom 1372: 0.000000000000E+00 Surface tension*area energy for atom 1373: 0.000000000000E+00 Surface tension*area energy for atom 1374: 0.000000000000E+00 Surface tension*area energy for atom 1375: 0.000000000000E+00 Surface tension*area energy for atom 1376: 0.000000000000E+00 Surface tension*area energy for atom 1377: 0.000000000000E+00 Surface tension*area energy for atom 1378: 0.000000000000E+00 Surface tension*area energy for atom 1379: 0.000000000000E+00 Surface tension*area energy for atom 1380: 0.000000000000E+00 Surface tension*area energy for atom 1381: 0.000000000000E+00 Surface tension*area energy for atom 1382: 0.000000000000E+00 Surface tension*area energy for atom 1383: 0.000000000000E+00 Surface tension*area energy for atom 1384: 0.000000000000E+00 Surface tension*area energy for atom 1385: 0.000000000000E+00 Surface tension*area energy for atom 1386: 0.000000000000E+00 Surface tension*area energy for atom 1387: 0.000000000000E+00 Surface tension*area energy for atom 1388: 0.000000000000E+00 Surface tension*area energy for atom 1389: 0.000000000000E+00 Surface tension*area energy for atom 1390: 0.000000000000E+00 Surface tension*area energy for atom 1391: 0.000000000000E+00 Surface tension*area energy for atom 1392: 0.000000000000E+00 Surface tension*area energy for atom 1393: 0.000000000000E+00 Surface tension*area energy for atom 1394: 0.000000000000E+00 Surface tension*area energy for atom 1395: 0.000000000000E+00 Surface tension*area energy for atom 1396: 0.000000000000E+00 Surface tension*area energy for atom 1397: 0.000000000000E+00 Surface tension*area energy for atom 1398: 0.000000000000E+00 Surface tension*area energy for atom 1399: 0.000000000000E+00 Surface tension*area energy for atom 1400: 0.000000000000E+00 Surface tension*area energy for atom 1401: 0.000000000000E+00 Surface tension*area energy for atom 1402: 0.000000000000E+00 Surface tension*area energy for atom 1403: 0.000000000000E+00 Surface tension*area energy for atom 1404: 0.000000000000E+00 Surface tension*area energy for atom 1405: 0.000000000000E+00 Surface tension*area energy for atom 1406: 0.000000000000E+00 Surface tension*area energy for atom 1407: 0.000000000000E+00 Surface tension*area energy for atom 1408: 0.000000000000E+00 Surface tension*area energy for atom 1409: 0.000000000000E+00 Surface tension*area energy for atom 1410: 0.000000000000E+00 Surface tension*area energy for atom 1411: 0.000000000000E+00 Surface tension*area energy for atom 1412: 0.000000000000E+00 Surface tension*area energy for atom 1413: 0.000000000000E+00 Surface tension*area energy for atom 1414: 0.000000000000E+00 Surface tension*area energy for atom 1415: 0.000000000000E+00 Surface tension*area energy for atom 1416: 0.000000000000E+00 Surface tension*area energy for atom 1417: 0.000000000000E+00 Surface tension*area energy for atom 1418: 0.000000000000E+00 Surface tension*area energy for atom 1419: 0.000000000000E+00 Surface tension*area energy for atom 1420: 0.000000000000E+00 Surface tension*area energy for atom 1421: 0.000000000000E+00 Surface tension*area energy for atom 1422: 0.000000000000E+00 Surface tension*area energy for atom 1423: 0.000000000000E+00 Surface tension*area energy for atom 1424: 0.000000000000E+00 Surface tension*area energy for atom 1425: 0.000000000000E+00 Surface tension*area energy for atom 1426: 0.000000000000E+00 Surface tension*area energy for atom 1427: 0.000000000000E+00 Surface tension*area energy for atom 1428: 0.000000000000E+00 Surface tension*area energy for atom 1429: 0.000000000000E+00 Surface tension*area energy for atom 1430: 0.000000000000E+00 Surface tension*area energy for atom 1431: 0.000000000000E+00 Surface tension*area energy for atom 1432: 0.000000000000E+00 Surface tension*area energy for atom 1433: 0.000000000000E+00 Surface tension*area energy for atom 1434: 0.000000000000E+00 Surface tension*area energy for atom 1435: 0.000000000000E+00 Surface tension*area energy for atom 1436: 0.000000000000E+00 Surface tension*area energy for atom 1437: 0.000000000000E+00 Surface tension*area energy for atom 1438: 0.000000000000E+00 Surface tension*area energy for atom 1439: 0.000000000000E+00 Surface tension*area energy for atom 1440: 0.000000000000E+00 Surface tension*area energy for atom 1441: 0.000000000000E+00 Surface tension*area energy for atom 1442: 0.000000000000E+00 Surface tension*area energy for atom 1443: 0.000000000000E+00 Surface tension*area energy for atom 1444: 0.000000000000E+00 Surface tension*area energy for atom 1445: 0.000000000000E+00 Surface tension*area energy for atom 1446: 0.000000000000E+00 Surface tension*area energy for atom 1447: 0.000000000000E+00 Surface tension*area energy for atom 1448: 0.000000000000E+00 Surface tension*area energy for atom 1449: 0.000000000000E+00 Surface tension*area energy for atom 1450: 0.000000000000E+00 Surface tension*area energy for atom 1451: 0.000000000000E+00 Surface tension*area energy for atom 1452: 0.000000000000E+00 Surface tension*area energy for atom 1453: 0.000000000000E+00 Surface tension*area energy for atom 1454: 0.000000000000E+00 Surface tension*area energy for atom 1455: 0.000000000000E+00 Surface tension*area energy for atom 1456: 0.000000000000E+00 Surface tension*area energy for atom 1457: 0.000000000000E+00 Surface tension*area energy for atom 1458: 0.000000000000E+00 Surface tension*area energy for atom 1459: 0.000000000000E+00 Surface tension*area energy for atom 1460: 0.000000000000E+00 Surface tension*area energy for atom 1461: 0.000000000000E+00 Surface tension*area energy for atom 1462: 0.000000000000E+00 Surface tension*area energy for atom 1463: 0.000000000000E+00 Surface tension*area energy for atom 1464: 0.000000000000E+00 Surface tension*area energy for atom 1465: 0.000000000000E+00 Surface tension*area energy for atom 1466: 0.000000000000E+00 Surface tension*area energy for atom 1467: 0.000000000000E+00 Surface tension*area energy for atom 1468: 0.000000000000E+00 Surface tension*area energy for atom 1469: 0.000000000000E+00 Surface tension*area energy for atom 1470: 0.000000000000E+00 Surface tension*area energy for atom 1471: 0.000000000000E+00 Surface tension*area energy for atom 1472: 0.000000000000E+00 Surface tension*area energy for atom 1473: 0.000000000000E+00 Surface tension*area energy for atom 1474: 0.000000000000E+00 Surface tension*area energy for atom 1475: 0.000000000000E+00 Surface tension*area energy for atom 1476: 0.000000000000E+00 Surface tension*area energy for atom 1477: 0.000000000000E+00 Surface tension*area energy for atom 1478: 0.000000000000E+00 Surface tension*area energy for atom 1479: 0.000000000000E+00 Surface tension*area energy for atom 1480: 0.000000000000E+00 Surface tension*area energy for atom 1481: 0.000000000000E+00 Surface tension*area energy for atom 1482: 0.000000000000E+00 Surface tension*area energy for atom 1483: 0.000000000000E+00 Surface tension*area energy for atom 1484: 0.000000000000E+00 Surface tension*area energy for atom 1485: 0.000000000000E+00 Surface tension*area energy for atom 1486: 0.000000000000E+00 Surface tension*area energy for atom 1487: 0.000000000000E+00 Surface tension*area energy for atom 1488: 0.000000000000E+00 Surface tension*area energy for atom 1489: 0.000000000000E+00 Surface tension*area energy for atom 1490: 0.000000000000E+00 Surface tension*area energy for atom 1491: 0.000000000000E+00 Surface tension*area energy for atom 1492: 0.000000000000E+00 Surface tension*area energy for atom 1493: 0.000000000000E+00 Surface tension*area energy for atom 1494: 0.000000000000E+00 Surface tension*area energy for atom 1495: 0.000000000000E+00 Surface tension*area energy for atom 1496: 0.000000000000E+00 Surface tension*area energy for atom 1497: 0.000000000000E+00 Surface tension*area energy for atom 1498: 0.000000000000E+00 Surface tension*area energy for atom 1499: 0.000000000000E+00 Surface tension*area energy for atom 1500: 0.000000000000E+00 Surface tension*area energy for atom 1501: 0.000000000000E+00 Surface tension*area energy for atom 1502: 0.000000000000E+00 Surface tension*area energy for atom 1503: 0.000000000000E+00 Surface tension*area energy for atom 1504: 0.000000000000E+00 Surface tension*area energy for atom 1505: 0.000000000000E+00 Surface tension*area energy for atom 1506: 0.000000000000E+00 Surface tension*area energy for atom 1507: 0.000000000000E+00 Surface tension*area energy for atom 1508: 0.000000000000E+00 Surface tension*area energy for atom 1509: 0.000000000000E+00 Surface tension*area energy for atom 1510: 0.000000000000E+00 Surface tension*area energy for atom 1511: 0.000000000000E+00 Surface tension*area energy for atom 1512: 0.000000000000E+00 Surface tension*area energy for atom 1513: 0.000000000000E+00 Surface tension*area energy for atom 1514: 0.000000000000E+00 Surface tension*area energy for atom 1515: 0.000000000000E+00 Surface tension*area energy for atom 1516: 0.000000000000E+00 Surface tension*area energy for atom 1517: 0.000000000000E+00 Surface tension*area energy for atom 1518: 0.000000000000E+00 Surface tension*area energy for atom 1519: 0.000000000000E+00 Surface tension*area energy for atom 1520: 0.000000000000E+00 Surface tension*area energy for atom 1521: 0.000000000000E+00 Surface tension*area energy for atom 1522: 0.000000000000E+00 Surface tension*area energy for atom 1523: 0.000000000000E+00 Surface tension*area energy for atom 1524: 0.000000000000E+00 Surface tension*area energy for atom 1525: 0.000000000000E+00 Surface tension*area energy for atom 1526: 0.000000000000E+00 Surface tension*area energy for atom 1527: 0.000000000000E+00 Surface tension*area energy for atom 1528: 0.000000000000E+00 Surface tension*area energy for atom 1529: 0.000000000000E+00 Surface tension*area energy for atom 1530: 0.000000000000E+00 Surface tension*area energy for atom 1531: 0.000000000000E+00 Surface tension*area energy for atom 1532: 0.000000000000E+00 Surface tension*area energy for atom 1533: 0.000000000000E+00 Surface tension*area energy for atom 1534: 0.000000000000E+00 Surface tension*area energy for atom 1535: 0.000000000000E+00 Surface tension*area energy for atom 1536: 0.000000000000E+00 Surface tension*area energy for atom 1537: 0.000000000000E+00 Surface tension*area energy for atom 1538: 0.000000000000E+00 Surface tension*area energy for atom 1539: 0.000000000000E+00 Surface tension*area energy for atom 1540: 0.000000000000E+00 Surface tension*area energy for atom 1541: 0.000000000000E+00 Surface tension*area energy for atom 1542: 0.000000000000E+00 Surface tension*area energy for atom 1543: 0.000000000000E+00 Surface tension*area energy for atom 1544: 0.000000000000E+00 Surface tension*area energy for atom 1545: 0.000000000000E+00 Surface tension*area energy for atom 1546: 0.000000000000E+00 Surface tension*area energy for atom 1547: 0.000000000000E+00 Surface tension*area energy for atom 1548: 0.000000000000E+00 Surface tension*area energy for atom 1549: 0.000000000000E+00 Surface tension*area energy for atom 1550: 0.000000000000E+00 Surface tension*area energy for atom 1551: 0.000000000000E+00 Surface tension*area energy for atom 1552: 0.000000000000E+00 Surface tension*area energy for atom 1553: 0.000000000000E+00 Surface tension*area energy for atom 1554: 0.000000000000E+00 Surface tension*area energy for atom 1555: 0.000000000000E+00 Surface tension*area energy for atom 1556: 0.000000000000E+00 Surface tension*area energy for atom 1557: 0.000000000000E+00 Surface tension*area energy for atom 1558: 0.000000000000E+00 Surface tension*area energy for atom 1559: 0.000000000000E+00 Surface tension*area energy for atom 1560: 0.000000000000E+00 Surface tension*area energy for atom 1561: 0.000000000000E+00 Surface tension*area energy for atom 1562: 0.000000000000E+00 Surface tension*area energy for atom 1563: 0.000000000000E+00 Surface tension*area energy for atom 1564: 0.000000000000E+00 Surface tension*area energy for atom 1565: 0.000000000000E+00 Surface tension*area energy for atom 1566: 0.000000000000E+00 Surface tension*area energy for atom 1567: 0.000000000000E+00 Surface tension*area energy for atom 1568: 0.000000000000E+00 Surface tension*area energy for atom 1569: 0.000000000000E+00 Surface tension*area energy for atom 1570: 0.000000000000E+00 Surface tension*area energy for atom 1571: 0.000000000000E+00 Surface tension*area energy for atom 1572: 0.000000000000E+00 Surface tension*area energy for atom 1573: 0.000000000000E+00 Surface tension*area energy for atom 1574: 0.000000000000E+00 Surface tension*area energy for atom 1575: 0.000000000000E+00 Surface tension*area energy for atom 1576: 0.000000000000E+00 Surface tension*area energy for atom 1577: 0.000000000000E+00 Surface tension*area energy for atom 1578: 0.000000000000E+00 Surface tension*area energy for atom 1579: 0.000000000000E+00 Surface tension*area energy for atom 1580: 0.000000000000E+00 Surface tension*area energy for atom 1581: 0.000000000000E+00 Surface tension*area energy for atom 1582: 0.000000000000E+00 Surface tension*area energy for atom 1583: 0.000000000000E+00 Surface tension*area energy for atom 1584: 0.000000000000E+00 Surface tension*area energy for atom 1585: 0.000000000000E+00 Surface tension*area energy for atom 1586: 0.000000000000E+00 Surface tension*area energy for atom 1587: 0.000000000000E+00 Surface tension*area energy for atom 1588: 0.000000000000E+00 Surface tension*area energy for atom 1589: 0.000000000000E+00 Surface tension*area energy for atom 1590: 0.000000000000E+00 Surface tension*area energy for atom 1591: 0.000000000000E+00 Surface tension*area energy for atom 1592: 0.000000000000E+00 Surface tension*area energy for atom 1593: 0.000000000000E+00 Surface tension*area energy for atom 1594: 0.000000000000E+00 Surface tension*area energy for atom 1595: 0.000000000000E+00 Surface tension*area energy for atom 1596: 0.000000000000E+00 Surface tension*area energy for atom 1597: 0.000000000000E+00 Surface tension*area energy for atom 1598: 0.000000000000E+00 Surface tension*area energy for atom 1599: 0.000000000000E+00 Surface tension*area energy for atom 1600: 0.000000000000E+00 Surface tension*area energy for atom 1601: 0.000000000000E+00 Surface tension*area energy for atom 1602: 0.000000000000E+00 Surface tension*area energy for atom 1603: 0.000000000000E+00 Surface tension*area energy for atom 1604: 0.000000000000E+00 Surface tension*area energy for atom 1605: 0.000000000000E+00 Surface tension*area energy for atom 1606: 0.000000000000E+00 Surface tension*area energy for atom 1607: 0.000000000000E+00 Surface tension*area energy for atom 1608: 0.000000000000E+00 Surface tension*area energy for atom 1609: 0.000000000000E+00 Surface tension*area energy for atom 1610: 0.000000000000E+00 Surface tension*area energy for atom 1611: 0.000000000000E+00 Surface tension*area energy for atom 1612: 0.000000000000E+00 Surface tension*area energy for atom 1613: 0.000000000000E+00 Surface tension*area energy for atom 1614: 0.000000000000E+00 Surface tension*area energy for atom 1615: 0.000000000000E+00 Surface tension*area energy for atom 1616: 0.000000000000E+00 Surface tension*area energy for atom 1617: 0.000000000000E+00 Surface tension*area energy for atom 1618: 0.000000000000E+00 Surface tension*area energy for atom 1619: 0.000000000000E+00 Surface tension*area energy for atom 1620: 0.000000000000E+00 Surface tension*area energy for atom 1621: 0.000000000000E+00 Surface tension*area energy for atom 1622: 0.000000000000E+00 Surface tension*area energy for atom 1623: 0.000000000000E+00 Surface tension*area energy for atom 1624: 0.000000000000E+00 Surface tension*area energy for atom 1625: 0.000000000000E+00 Surface tension*area energy for atom 1626: 0.000000000000E+00 Surface tension*area energy for atom 1627: 0.000000000000E+00 Surface tension*area energy for atom 1628: 0.000000000000E+00 Surface tension*area energy for atom 1629: 0.000000000000E+00 Surface tension*area energy for atom 1630: 0.000000000000E+00 Surface tension*area energy for atom 1631: 0.000000000000E+00 Surface tension*area energy for atom 1632: 0.000000000000E+00 Surface tension*area energy for atom 1633: 0.000000000000E+00 Surface tension*area energy for atom 1634: 0.000000000000E+00 Surface tension*area energy for atom 1635: 0.000000000000E+00 Surface tension*area energy for atom 1636: 0.000000000000E+00 Surface tension*area energy for atom 1637: 0.000000000000E+00 Surface tension*area energy for atom 1638: 0.000000000000E+00 Surface tension*area energy for atom 1639: 0.000000000000E+00 Surface tension*area energy for atom 1640: 0.000000000000E+00 Surface tension*area energy for atom 1641: 0.000000000000E+00 Surface tension*area energy for atom 1642: 0.000000000000E+00 Surface tension*area energy for atom 1643: 0.000000000000E+00 Surface tension*area energy for atom 1644: 0.000000000000E+00 Surface tension*area energy for atom 1645: 0.000000000000E+00 Surface tension*area energy for atom 1646: 0.000000000000E+00 Surface tension*area energy for atom 1647: 0.000000000000E+00 Surface tension*area energy for atom 1648: 0.000000000000E+00 Surface tension*area energy for atom 1649: 0.000000000000E+00 Surface tension*area energy for atom 1650: 0.000000000000E+00 Surface tension*area energy for atom 1651: 0.000000000000E+00 Surface tension*area energy for atom 1652: 0.000000000000E+00 Surface tension*area energy for atom 1653: 0.000000000000E+00 Surface tension*area energy for atom 1654: 0.000000000000E+00 Surface tension*area energy for atom 1655: 0.000000000000E+00 Surface tension*area energy for atom 1656: 0.000000000000E+00 Surface tension*area energy for atom 1657: 0.000000000000E+00 Surface tension*area energy for atom 1658: 0.000000000000E+00 Surface tension*area energy for atom 1659: 0.000000000000E+00 Surface tension*area energy for atom 1660: 0.000000000000E+00 Surface tension*area energy for atom 1661: 0.000000000000E+00 Surface tension*area energy for atom 1662: 0.000000000000E+00 Surface tension*area energy for atom 1663: 0.000000000000E+00 Surface tension*area energy for atom 1664: 0.000000000000E+00 Surface tension*area energy for atom 1665: 0.000000000000E+00 Surface tension*area energy for atom 1666: 0.000000000000E+00 Surface tension*area energy for atom 1667: 0.000000000000E+00 Surface tension*area energy for atom 1668: 0.000000000000E+00 Surface tension*area energy for atom 1669: 0.000000000000E+00 Surface tension*area energy for atom 1670: 0.000000000000E+00 Surface tension*area energy for atom 1671: 0.000000000000E+00 Surface tension*area energy for atom 1672: 0.000000000000E+00 Surface tension*area energy for atom 1673: 0.000000000000E+00 Surface tension*area energy for atom 1674: 0.000000000000E+00 Surface tension*area energy for atom 1675: 0.000000000000E+00 Surface tension*area energy for atom 1676: 0.000000000000E+00 Surface tension*area energy for atom 1677: 0.000000000000E+00 Surface tension*area energy for atom 1678: 0.000000000000E+00 Surface tension*area energy for atom 1679: 0.000000000000E+00 Surface tension*area energy for atom 1680: 0.000000000000E+00 Surface tension*area energy for atom 1681: 0.000000000000E+00 Surface tension*area energy for atom 1682: 0.000000000000E+00 Surface tension*area energy for atom 1683: 0.000000000000E+00 Surface tension*area energy for atom 1684: 0.000000000000E+00 Surface tension*area energy for atom 1685: 0.000000000000E+00 Surface tension*area energy for atom 1686: 0.000000000000E+00 Surface tension*area energy for atom 1687: 0.000000000000E+00 Surface tension*area energy for atom 1688: 0.000000000000E+00 Surface tension*area energy for atom 1689: 0.000000000000E+00 Surface tension*area energy for atom 1690: 0.000000000000E+00 Surface tension*area energy for atom 1691: 0.000000000000E+00 Surface tension*area energy for atom 1692: 0.000000000000E+00 Surface tension*area energy for atom 1693: 0.000000000000E+00 Surface tension*area energy for atom 1694: 0.000000000000E+00 Surface tension*area energy for atom 1695: 0.000000000000E+00 Surface tension*area energy for atom 1696: 0.000000000000E+00 Surface tension*area energy for atom 1697: 0.000000000000E+00 Surface tension*area energy for atom 1698: 0.000000000000E+00 Surface tension*area energy for atom 1699: 0.000000000000E+00 Surface tension*area energy for atom 1700: 0.000000000000E+00 Surface tension*area energy for atom 1701: 0.000000000000E+00 Surface tension*area energy for atom 1702: 0.000000000000E+00 Surface tension*area energy for atom 1703: 0.000000000000E+00 Surface tension*area energy for atom 1704: 0.000000000000E+00 Surface tension*area energy for atom 1705: 0.000000000000E+00 Surface tension*area energy for atom 1706: 0.000000000000E+00 Surface tension*area energy for atom 1707: 0.000000000000E+00 Surface tension*area energy for atom 1708: 0.000000000000E+00 Surface tension*area energy for atom 1709: 0.000000000000E+00 Surface tension*area energy for atom 1710: 0.000000000000E+00 Surface tension*area energy for atom 1711: 0.000000000000E+00 Surface tension*area energy for atom 1712: 0.000000000000E+00 Surface tension*area energy for atom 1713: 0.000000000000E+00 Surface tension*area energy for atom 1714: 0.000000000000E+00 Surface tension*area energy for atom 1715: 0.000000000000E+00 Surface tension*area energy for atom 1716: 0.000000000000E+00 Surface tension*area energy for atom 1717: 0.000000000000E+00 Surface tension*area energy for atom 1718: 0.000000000000E+00 Surface tension*area energy for atom 1719: 0.000000000000E+00 Surface tension*area energy for atom 1720: 0.000000000000E+00 Surface tension*area energy for atom 1721: 0.000000000000E+00 Surface tension*area energy for atom 1722: 0.000000000000E+00 Surface tension*area energy for atom 1723: 0.000000000000E+00 Surface tension*area energy for atom 1724: 0.000000000000E+00 Surface tension*area energy for atom 1725: 0.000000000000E+00 Surface tension*area energy for atom 1726: 0.000000000000E+00 Surface tension*area energy for atom 1727: 0.000000000000E+00 Surface tension*area energy for atom 1728: 0.000000000000E+00 Surface tension*area energy for atom 1729: 0.000000000000E+00 Surface tension*area energy for atom 1730: 0.000000000000E+00 Surface tension*area energy for atom 1731: 0.000000000000E+00 Surface tension*area energy for atom 1732: 0.000000000000E+00 Surface tension*area energy for atom 1733: 0.000000000000E+00 Surface tension*area energy for atom 1734: 0.000000000000E+00 Surface tension*area energy for atom 1735: 0.000000000000E+00 Surface tension*area energy for atom 1736: 0.000000000000E+00 Surface tension*area energy for atom 1737: 0.000000000000E+00 Surface tension*area energy for atom 1738: 0.000000000000E+00 Surface tension*area energy for atom 1739: 0.000000000000E+00 Surface tension*area energy for atom 1740: 0.000000000000E+00 Surface tension*area energy for atom 1741: 0.000000000000E+00 Surface tension*area energy for atom 1742: 0.000000000000E+00 Surface tension*area energy for atom 1743: 0.000000000000E+00 Surface tension*area energy for atom 1744: 0.000000000000E+00 Surface tension*area energy for atom 1745: 0.000000000000E+00 Surface tension*area energy for atom 1746: 0.000000000000E+00 Surface tension*area energy for atom 1747: 0.000000000000E+00 Surface tension*area energy for atom 1748: 0.000000000000E+00 Surface tension*area energy for atom 1749: 0.000000000000E+00 Surface tension*area energy for atom 1750: 0.000000000000E+00 Surface tension*area energy for atom 1751: 0.000000000000E+00 Surface tension*area energy for atom 1752: 0.000000000000E+00 Surface tension*area energy for atom 1753: 0.000000000000E+00 Surface tension*area energy for atom 1754: 0.000000000000E+00 Surface tension*area energy for atom 1755: 0.000000000000E+00 Surface tension*area energy for atom 1756: 0.000000000000E+00 Surface tension*area energy for atom 1757: 0.000000000000E+00 Surface tension*area energy for atom 1758: 0.000000000000E+00 Surface tension*area energy for atom 1759: 0.000000000000E+00 Surface tension*area energy for atom 1760: 0.000000000000E+00 Surface tension*area energy for atom 1761: 0.000000000000E+00 Surface tension*area energy for atom 1762: 0.000000000000E+00 Surface tension*area energy for atom 1763: 0.000000000000E+00 Surface tension*area energy for atom 1764: 0.000000000000E+00 Surface tension*area energy for atom 1765: 0.000000000000E+00 Surface tension*area energy for atom 1766: 0.000000000000E+00 Surface tension*area energy for atom 1767: 0.000000000000E+00 Surface tension*area energy for atom 1768: 0.000000000000E+00 Surface tension*area energy for atom 1769: 0.000000000000E+00 Surface tension*area energy for atom 1770: 0.000000000000E+00 Surface tension*area energy for atom 1771: 0.000000000000E+00 Surface tension*area energy for atom 1772: 0.000000000000E+00 Surface tension*area energy for atom 1773: 0.000000000000E+00 Surface tension*area energy for atom 1774: 0.000000000000E+00 Surface tension*area energy for atom 1775: 0.000000000000E+00 Surface tension*area energy for atom 1776: 0.000000000000E+00 Surface tension*area energy for atom 1777: 0.000000000000E+00 Surface tension*area energy for atom 1778: 0.000000000000E+00 Surface tension*area energy for atom 1779: 0.000000000000E+00 Surface tension*area energy for atom 1780: 0.000000000000E+00 Surface tension*area energy for atom 1781: 0.000000000000E+00 Surface tension*area energy for atom 1782: 0.000000000000E+00 Surface tension*area energy for atom 1783: 0.000000000000E+00 Surface tension*area energy for atom 1784: 0.000000000000E+00 Surface tension*area energy for atom 1785: 0.000000000000E+00 Surface tension*area energy for atom 1786: 0.000000000000E+00 Surface tension*area energy for atom 1787: 0.000000000000E+00 Surface tension*area energy for atom 1788: 0.000000000000E+00 Surface tension*area energy for atom 1789: 0.000000000000E+00 Surface tension*area energy for atom 1790: 0.000000000000E+00 Surface tension*area energy for atom 1791: 0.000000000000E+00 Surface tension*area energy for atom 1792: 0.000000000000E+00 Surface tension*area energy for atom 1793: 0.000000000000E+00 Surface tension*area energy for atom 1794: 0.000000000000E+00 Surface tension*area energy for atom 1795: 0.000000000000E+00 Surface tension*area energy for atom 1796: 0.000000000000E+00 Surface tension*area energy for atom 1797: 0.000000000000E+00 Surface tension*area energy for atom 1798: 0.000000000000E+00 Surface tension*area energy for atom 1799: 0.000000000000E+00 Surface tension*area energy for atom 1800: 0.000000000000E+00 Surface tension*area energy for atom 1801: 0.000000000000E+00 Surface tension*area energy for atom 1802: 0.000000000000E+00 Surface tension*area energy for atom 1803: 0.000000000000E+00 Surface tension*area energy for atom 1804: 0.000000000000E+00 Surface tension*area energy for atom 1805: 0.000000000000E+00 Surface tension*area energy for atom 1806: 0.000000000000E+00 Surface tension*area energy for atom 1807: 0.000000000000E+00 Surface tension*area energy for atom 1808: 0.000000000000E+00 Surface tension*area energy for atom 1809: 0.000000000000E+00 Surface tension*area energy for atom 1810: 0.000000000000E+00 Surface tension*area energy for atom 1811: 0.000000000000E+00 Surface tension*area energy for atom 1812: 0.000000000000E+00 Surface tension*area energy for atom 1813: 0.000000000000E+00 Surface tension*area energy for atom 1814: 0.000000000000E+00 Surface tension*area energy for atom 1815: 0.000000000000E+00 Surface tension*area energy for atom 1816: 0.000000000000E+00 Surface tension*area energy for atom 1817: 0.000000000000E+00 Surface tension*area energy for atom 1818: 0.000000000000E+00 Surface tension*area energy for atom 1819: 0.000000000000E+00 Surface tension*area energy for atom 1820: 0.000000000000E+00 Surface tension*area energy for atom 1821: 0.000000000000E+00 Surface tension*area energy for atom 1822: 0.000000000000E+00 Surface tension*area energy for atom 1823: 0.000000000000E+00 Surface tension*area energy for atom 1824: 0.000000000000E+00 Surface tension*area energy for atom 1825: 0.000000000000E+00 Surface tension*area energy for atom 1826: 0.000000000000E+00 Surface tension*area energy for atom 1827: 0.000000000000E+00 Surface tension*area energy for atom 1828: 0.000000000000E+00 Surface tension*area energy for atom 1829: 0.000000000000E+00 Surface tension*area energy for atom 1830: 0.000000000000E+00 Surface tension*area energy for atom 1831: 0.000000000000E+00 Surface tension*area energy for atom 1832: 0.000000000000E+00 Surface tension*area energy for atom 1833: 0.000000000000E+00 Surface tension*area energy for atom 1834: 0.000000000000E+00 Surface tension*area energy for atom 1835: 0.000000000000E+00 Surface tension*area energy for atom 1836: 0.000000000000E+00 Surface tension*area energy for atom 1837: 0.000000000000E+00 Surface tension*area energy for atom 1838: 0.000000000000E+00 Surface tension*area energy for atom 1839: 0.000000000000E+00 Surface tension*area energy for atom 1840: 0.000000000000E+00 Surface tension*area energy for atom 1841: 0.000000000000E+00 Surface tension*area energy for atom 1842: 0.000000000000E+00 Surface tension*area energy for atom 1843: 0.000000000000E+00 Surface tension*area energy for atom 1844: 0.000000000000E+00 Surface tension*area energy for atom 1845: 0.000000000000E+00 Surface tension*area energy for atom 1846: 0.000000000000E+00 Surface tension*area energy for atom 1847: 0.000000000000E+00 Surface tension*area energy for atom 1848: 0.000000000000E+00 Surface tension*area energy for atom 1849: 0.000000000000E+00 Surface tension*area energy for atom 1850: 0.000000000000E+00 Surface tension*area energy for atom 1851: 0.000000000000E+00 Surface tension*area energy for atom 1852: 0.000000000000E+00 Surface tension*area energy for atom 1853: 0.000000000000E+00 Surface tension*area energy for atom 1854: 0.000000000000E+00 Surface tension*area energy for atom 1855: 0.000000000000E+00 Surface tension*area energy for atom 1856: 0.000000000000E+00 Surface tension*area energy for atom 1857: 0.000000000000E+00 Surface tension*area energy for atom 1858: 0.000000000000E+00 Surface tension*area energy for atom 1859: 0.000000000000E+00 Surface tension*area energy for atom 1860: 0.000000000000E+00 Surface tension*area energy for atom 1861: 0.000000000000E+00 Surface tension*area energy for atom 1862: 0.000000000000E+00 Surface tension*area energy for atom 1863: 0.000000000000E+00 Surface tension*area energy for atom 1864: 0.000000000000E+00 Surface tension*area energy for atom 1865: 0.000000000000E+00 Surface tension*area energy for atom 1866: 0.000000000000E+00 Surface tension*area energy for atom 1867: 0.000000000000E+00 Surface tension*area energy for atom 1868: 0.000000000000E+00 Surface tension*area energy for atom 1869: 0.000000000000E+00 Surface tension*area energy for atom 1870: 0.000000000000E+00 Surface tension*area energy for atom 1871: 0.000000000000E+00 Surface tension*area energy for atom 1872: 0.000000000000E+00 Surface tension*area energy for atom 1873: 0.000000000000E+00 Surface tension*area energy for atom 1874: 0.000000000000E+00 Surface tension*area energy for atom 1875: 0.000000000000E+00 Surface tension*area energy for atom 1876: 0.000000000000E+00 Surface tension*area energy for atom 1877: 0.000000000000E+00 Surface tension*area energy for atom 1878: 0.000000000000E+00 Surface tension*area energy for atom 1879: 0.000000000000E+00 Surface tension*area energy for atom 1880: 0.000000000000E+00 Surface tension*area energy for atom 1881: 0.000000000000E+00 Surface tension*area energy for atom 1882: 0.000000000000E+00 Surface tension*area energy for atom 1883: 0.000000000000E+00 Surface tension*area energy for atom 1884: 0.000000000000E+00 Surface tension*area energy for atom 1885: 0.000000000000E+00 Surface tension*area energy for atom 1886: 0.000000000000E+00 Surface tension*area energy for atom 1887: 0.000000000000E+00 Surface tension*area energy for atom 1888: 0.000000000000E+00 Surface tension*area energy for atom 1889: 0.000000000000E+00 Surface tension*area energy for atom 1890: 0.000000000000E+00 Surface tension*area energy for atom 1891: 0.000000000000E+00 Surface tension*area energy for atom 1892: 0.000000000000E+00 Surface tension*area energy for atom 1893: 0.000000000000E+00 Surface tension*area energy for atom 1894: 0.000000000000E+00 Surface tension*area energy for atom 1895: 0.000000000000E+00 Surface tension*area energy for atom 1896: 0.000000000000E+00 Surface tension*area energy for atom 1897: 0.000000000000E+00 Surface tension*area energy for atom 1898: 0.000000000000E+00 Surface tension*area energy for atom 1899: 0.000000000000E+00 Surface tension*area energy for atom 1900: 0.000000000000E+00 Surface tension*area energy for atom 1901: 0.000000000000E+00 Surface tension*area energy for atom 1902: 0.000000000000E+00 Surface tension*area energy for atom 1903: 0.000000000000E+00 Surface tension*area energy for atom 1904: 0.000000000000E+00 Surface tension*area energy for atom 1905: 0.000000000000E+00 Surface tension*area energy for atom 1906: 0.000000000000E+00 Surface tension*area energy for atom 1907: 0.000000000000E+00 Surface tension*area energy for atom 1908: 0.000000000000E+00 Surface tension*area energy for atom 1909: 0.000000000000E+00 Surface tension*area energy for atom 1910: 0.000000000000E+00 Surface tension*area energy for atom 1911: 0.000000000000E+00 Surface tension*area energy for atom 1912: 0.000000000000E+00 Surface tension*area energy for atom 1913: 0.000000000000E+00 Surface tension*area energy for atom 1914: 0.000000000000E+00 Surface tension*area energy for atom 1915: 0.000000000000E+00 Surface tension*area energy for atom 1916: 0.000000000000E+00 Surface tension*area energy for atom 1917: 0.000000000000E+00 Surface tension*area energy for atom 1918: 0.000000000000E+00 Surface tension*area energy for atom 1919: 0.000000000000E+00 Surface tension*area energy for atom 1920: 0.000000000000E+00 Surface tension*area energy for atom 1921: 0.000000000000E+00 Surface tension*area energy for atom 1922: 0.000000000000E+00 Surface tension*area energy for atom 1923: 0.000000000000E+00 Surface tension*area energy for atom 1924: 0.000000000000E+00 Surface tension*area energy for atom 1925: 0.000000000000E+00 Surface tension*area energy for atom 1926: 0.000000000000E+00 Surface tension*area energy for atom 1927: 0.000000000000E+00 Surface tension*area energy for atom 1928: 0.000000000000E+00 Surface tension*area energy for atom 1929: 0.000000000000E+00 Surface tension*area energy for atom 1930: 0.000000000000E+00 Surface tension*area energy for atom 1931: 0.000000000000E+00 Surface tension*area energy for atom 1932: 0.000000000000E+00 Surface tension*area energy for atom 1933: 0.000000000000E+00 Surface tension*area energy for atom 1934: 0.000000000000E+00 Surface tension*area energy for atom 1935: 0.000000000000E+00 Surface tension*area energy for atom 1936: 0.000000000000E+00 Surface tension*area energy for atom 1937: 0.000000000000E+00 Surface tension*area energy for atom 1938: 0.000000000000E+00 Surface tension*area energy for atom 1939: 0.000000000000E+00 Surface tension*area energy for atom 1940: 0.000000000000E+00 Surface tension*area energy for atom 1941: 0.000000000000E+00 Surface tension*area energy for atom 1942: 0.000000000000E+00 Surface tension*area energy for atom 1943: 0.000000000000E+00 Surface tension*area energy for atom 1944: 0.000000000000E+00 Surface tension*area energy for atom 1945: 0.000000000000E+00 Surface tension*area energy for atom 1946: 0.000000000000E+00 Surface tension*area energy for atom 1947: 0.000000000000E+00 Surface tension*area energy for atom 1948: 0.000000000000E+00 Surface tension*area energy for atom 1949: 0.000000000000E+00 Surface tension*area energy for atom 1950: 0.000000000000E+00 Surface tension*area energy for atom 1951: 0.000000000000E+00 Surface tension*area energy for atom 1952: 0.000000000000E+00 Surface tension*area energy for atom 1953: 0.000000000000E+00 Surface tension*area energy for atom 1954: 0.000000000000E+00 Surface tension*area energy for atom 1955: 0.000000000000E+00 Surface tension*area energy for atom 1956: 0.000000000000E+00 Surface tension*area energy for atom 1957: 0.000000000000E+00 Surface tension*area energy for atom 1958: 0.000000000000E+00 Surface tension*area energy for atom 1959: 0.000000000000E+00 Surface tension*area energy for atom 1960: 0.000000000000E+00 Surface tension*area energy for atom 1961: 0.000000000000E+00 Surface tension*area energy for atom 1962: 0.000000000000E+00 Surface tension*area energy for atom 1963: 0.000000000000E+00 Surface tension*area energy for atom 1964: 0.000000000000E+00 Surface tension*area energy for atom 1965: 0.000000000000E+00 Surface tension*area energy for atom 1966: 0.000000000000E+00 Surface tension*area energy for atom 1967: 0.000000000000E+00 Surface tension*area energy for atom 1968: 0.000000000000E+00 Surface tension*area energy for atom 1969: 0.000000000000E+00 Surface tension*area energy for atom 1970: 0.000000000000E+00 Surface tension*area energy for atom 1971: 0.000000000000E+00 Surface tension*area energy for atom 1972: 0.000000000000E+00 Surface tension*area energy for atom 1973: 0.000000000000E+00 Surface tension*area energy for atom 1974: 0.000000000000E+00 Surface tension*area energy for atom 1975: 0.000000000000E+00 Surface tension*area energy for atom 1976: 0.000000000000E+00 Surface tension*area energy for atom 1977: 0.000000000000E+00 Surface tension*area energy for atom 1978: 0.000000000000E+00 Surface tension*area energy for atom 1979: 0.000000000000E+00 Surface tension*area energy for atom 1980: 0.000000000000E+00 Surface tension*area energy for atom 1981: 0.000000000000E+00 Surface tension*area energy for atom 1982: 0.000000000000E+00 Surface tension*area energy for atom 1983: 0.000000000000E+00 Surface tension*area energy for atom 1984: 0.000000000000E+00 Surface tension*area energy for atom 1985: 0.000000000000E+00 Surface tension*area energy for atom 1986: 0.000000000000E+00 Surface tension*area energy for atom 1987: 0.000000000000E+00 Surface tension*area energy for atom 1988: 0.000000000000E+00 Surface tension*area energy for atom 1989: 0.000000000000E+00 Surface tension*area energy for atom 1990: 0.000000000000E+00 Surface tension*area energy for atom 1991: 0.000000000000E+00 Surface tension*area energy for atom 1992: 0.000000000000E+00 Total surface tension energy: 0 kJ/mol Total solvent accessible volume: 29845.7 A^3 Total pressure*volume energy: 29845.7 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.887251814619E-02 WCA energy for atom 1: -3.193631847805E-02 WCA energy for atom 2: -2.451393148095E-02 WCA energy for atom 3: -2.028701214872E-02 WCA energy for atom 4: -2.345808228937E-02 WCA energy for atom 5: -2.498260076200E-02 WCA energy for atom 6: -5.468236826681E-02 WCA energy for atom 7: -3.682787432549E-02 WCA energy for atom 8: -1.752574735077E-02 WCA energy for atom 9: -4.687581158502E-02 WCA energy for atom 10: -2.517137539447E-02 WCA energy for atom 11: -6.927657284292E-02 WCA energy for atom 12: 0.000000000000E+00 WCA energy for atom 13: 0.000000000000E+00 WCA energy for atom 14: 0.000000000000E+00 WCA energy for atom 15: 0.000000000000E+00 WCA energy for atom 16: 0.000000000000E+00 WCA energy for atom 17: -2.339966569526E-02 WCA energy for atom 18: -1.401912883004E-02 WCA energy for atom 19: -1.264741688060E-02 WCA energy for atom 20: -1.399622963664E-02 WCA energy for atom 21: -3.247909741617E-02 WCA energy for atom 22: -3.847708684559E-02 WCA energy for atom 23: -9.050054327766E-02 WCA energy for atom 24: 0.000000000000E+00 WCA energy for atom 25: -8.001512311299E-03 WCA energy for atom 26: -6.007501821662E-03 WCA energy for atom 27: -7.591756685185E-03 WCA energy for atom 28: -1.199011639133E-02 WCA energy for atom 29: -8.366351155994E-03 WCA energy for atom 30: -1.844909872491E-02 WCA energy for atom 31: -1.717334547299E-02 WCA energy for atom 32: -2.642977339469E-02 WCA energy for atom 33: 0.000000000000E+00 WCA energy for atom 34: -7.010922810372E-03 WCA energy for atom 35: -6.704292112035E-03 WCA energy for atom 36: -7.449064884621E-03 WCA energy for atom 37: -6.664106769667E-03 WCA energy for atom 38: -1.428019755371E-02 WCA energy for atom 39: -2.873760208755E-02 WCA energy for atom 40: -3.386615402222E-02 WCA energy for atom 41: -9.138704540094E-02 WCA energy for atom 42: 0.000000000000E+00 WCA energy for atom 43: -7.112601313338E-03 WCA energy for atom 44: -5.590785710742E-03 WCA energy for atom 45: -8.820710434033E-03 WCA energy for atom 46: -8.201945343180E-03 WCA energy for atom 47: -5.936750580926E-03 WCA energy for atom 48: -7.257423179834E-03 WCA energy for atom 49: -3.015460999816E-03 WCA energy for atom 50: -2.260184416851E-03 WCA energy for atom 51: -3.074388747132E-03 WCA energy for atom 52: 0.000000000000E+00 WCA energy for atom 53: 0.000000000000E+00 WCA energy for atom 54: 0.000000000000E+00 WCA energy for atom 55: -1.212553886951E-02 WCA energy for atom 56: -1.850924463726E-02 WCA energy for atom 57: -2.033919189962E-02 WCA energy for atom 58: -2.102701774051E-02 WCA energy for atom 59: -6.217514088836E-02 WCA energy for atom 60: 0.000000000000E+00 WCA energy for atom 61: -1.878842863402E-02 WCA energy for atom 62: -1.270118946858E-02 WCA energy for atom 63: -1.488575980690E-02 WCA energy for atom 64: -1.577845198815E-02 WCA energy for atom 65: -8.042593661866E-03 WCA energy for atom 66: -6.862156864118E-03 WCA energy for atom 67: -5.467793234679E-03 WCA energy for atom 68: -4.689937573680E-03 WCA energy for atom 69: -9.745155173142E-03 WCA energy for atom 70: 0.000000000000E+00 WCA energy for atom 71: -1.184374577732E-02 WCA energy for atom 72: -8.152048182878E-03 WCA energy for atom 73: -7.034471699840E-03 WCA energy for atom 74: -9.072760376587E-03 WCA energy for atom 75: -1.612184992500E-02 WCA energy for atom 76: -1.550365296705E-02 WCA energy for atom 77: -1.550671097228E-02 WCA energy for atom 78: -4.814924079870E-03 WCA energy for atom 79: -2.844301738483E-02 WCA energy for atom 80: -1.563354243628E-02 WCA energy for atom 81: -2.738694895044E-02 WCA energy for atom 82: -1.381164249187E-02 WCA energy for atom 83: -3.866054423920E-02 WCA energy for atom 84: -2.258758041273E-02 WCA energy for atom 85: -3.808897029782E-02 WCA energy for atom 86: -2.440051363944E-02 WCA energy for atom 87: 0.000000000000E+00 WCA energy for atom 88: -6.171569431455E-03 WCA energy for atom 89: -4.529911943926E-03 WCA energy for atom 90: -4.110164166840E-03 WCA energy for atom 91: -3.783176462950E-03 WCA energy for atom 92: -8.001916971799E-03 WCA energy for atom 93: -5.390820833539E-03 WCA energy for atom 94: -1.175336909950E-02 WCA energy for atom 95: -6.021371014672E-03 WCA energy for atom 96: -5.067500935065E-03 WCA energy for atom 97: -1.778581891908E-03 WCA energy for atom 98: -2.109229377293E-02 WCA energy for atom 99: -1.748097556022E-02 WCA energy for atom 100: -7.677428063270E-03 WCA energy for atom 101: -2.672870851423E-03 WCA energy for atom 102: -1.852330886742E-02 WCA energy for atom 103: -2.092442649153E-02 WCA energy for atom 104: 0.000000000000E+00 WCA energy for atom 105: 0.000000000000E+00 WCA energy for atom 106: -4.544703123642E-03 WCA energy for atom 107: -5.273060623812E-03 WCA energy for atom 108: -5.586847316517E-03 WCA energy for atom 109: -5.600212025481E-03 WCA energy for atom 110: -1.658968106419E-02 WCA energy for atom 111: -2.339238264323E-02 WCA energy for atom 112: -3.580986757558E-02 WCA energy for atom 113: -9.429292886534E-02 WCA energy for atom 114: 0.000000000000E+00 WCA energy for atom 115: -7.276268611934E-03 WCA energy for atom 116: -1.239926519814E-02 WCA energy for atom 117: -1.620962066462E-02 WCA energy for atom 118: -1.142899450671E-02 WCA energy for atom 119: -4.060246916885E-02 WCA energy for atom 120: -3.091766851952E-02 WCA energy for atom 121: -2.902486641706E-02 WCA energy for atom 122: -3.318619904814E-02 WCA energy for atom 123: 0.000000000000E+00 WCA energy for atom 124: 0.000000000000E+00 WCA energy for atom 125: 0.000000000000E+00 WCA energy for atom 126: -2.396453049220E-02 WCA energy for atom 127: -4.266003026870E-02 WCA energy for atom 128: -4.112986770651E-02 WCA energy for atom 129: -7.074704573460E-02 WCA energy for atom 130: -8.195139144094E-02 WCA energy for atom 131: -7.886527847122E-02 WCA energy for atom 132: -3.266526112839E-02 WCA energy for atom 133: -2.072979441816E-02 WCA energy for atom 134: -3.848561404230E-02 WCA energy for atom 135: -3.930431638916E-02 WCA energy for atom 136: -7.476513582907E-02 WCA energy for atom 137: -5.689899820332E-02 WCA energy for atom 138: -4.188818017693E-02 WCA energy for atom 139: -1.813390870690E-02 WCA energy for atom 140: -7.057575085449E-02 WCA energy for atom 141: 0.000000000000E+00 WCA energy for atom 142: -1.580658851790E-02 WCA energy for atom 143: -1.827664554451E-02 WCA energy for atom 144: -3.332429527214E-02 WCA energy for atom 145: -6.749286302039E-02 WCA energy for atom 146: -5.019641484956E-02 WCA energy for atom 147: -5.012345813602E-02 WCA energy for atom 148: -7.645251294726E-02 WCA energy for atom 149: -9.426055945873E-02 WCA energy for atom 150: -1.140633425337E-01 WCA energy for atom 151: 0.000000000000E+00 WCA energy for atom 152: 0.000000000000E+00 WCA energy for atom 153: 0.000000000000E+00 WCA energy for atom 154: -2.602777456448E-02 WCA energy for atom 155: -3.513239742298E-02 WCA energy for atom 156: -1.922137773955E-02 WCA energy for atom 157: -8.224744828009E-03 WCA energy for atom 158: -7.800047131215E-02 WCA energy for atom 159: -5.579957773632E-02 WCA energy for atom 160: 0.000000000000E+00 WCA energy for atom 161: 0.000000000000E+00 WCA energy for atom 162: -2.842323244411E-02 WCA energy for atom 163: -2.134204634236E-02 WCA energy for atom 164: -3.003299290228E-02 WCA energy for atom 165: -5.575735155731E-02 WCA energy for atom 166: 0.000000000000E+00 WCA energy for atom 167: -2.150588504546E-02 WCA energy for atom 168: -2.417295137402E-02 WCA energy for atom 169: -1.516138572495E-02 WCA energy for atom 170: -1.174300217957E-02 WCA energy for atom 171: -3.643319300335E-02 WCA energy for atom 172: -5.120118378876E-02 WCA energy for atom 173: -6.137200638804E-02 WCA energy for atom 174: -1.019750367239E-01 WCA energy for atom 175: -6.895250848481E-02 WCA energy for atom 176: 0.000000000000E+00 WCA energy for atom 177: -1.373439743653E-02 WCA energy for atom 178: -7.857791825308E-03 WCA energy for atom 179: -9.431713636565E-03 WCA energy for atom 180: -9.894767677980E-03 WCA energy for atom 181: -6.731390354973E-03 WCA energy for atom 182: -4.099082374873E-03 WCA energy for atom 183: -4.152915528184E-03 WCA energy for atom 184: -1.722464680607E-03 WCA energy for atom 185: -4.276156420921E-03 WCA energy for atom 186: -1.447605816553E-03 WCA energy for atom 187: -3.486897735858E-03 WCA energy for atom 188: -1.110509252215E-03 WCA energy for atom 189: -3.975887038126E-03 WCA energy for atom 190: -1.357631166271E-03 WCA energy for atom 191: -3.480361292193E-03 WCA energy for atom 192: -9.645482833879E-04 WCA energy for atom 193: 0.000000000000E+00 WCA energy for atom 194: -1.079331090399E-02 WCA energy for atom 195: -7.696075577845E-03 WCA energy for atom 196: -6.760969645619E-03 WCA energy for atom 197: -7.822957712732E-03 WCA energy for atom 198: -1.996987969540E-02 WCA energy for atom 199: -2.772526922198E-02 WCA energy for atom 200: -3.916362887780E-02 WCA energy for atom 201: -7.547286096636E-02 WCA energy for atom 202: 0.000000000000E+00 WCA energy for atom 203: -5.084264494280E-03 WCA energy for atom 204: -3.796543699903E-03 WCA energy for atom 205: -5.102633257985E-03 WCA energy for atom 206: -4.470143375568E-03 WCA energy for atom 207: -4.579005520531E-03 WCA energy for atom 208: -2.753982862281E-03 WCA energy for atom 209: -2.403129210106E-03 WCA energy for atom 210: -1.249566602582E-03 WCA energy for atom 211: -4.354404439326E-03 WCA energy for atom 212: -2.463233346775E-03 WCA energy for atom 213: -2.433994122622E-03 WCA energy for atom 214: -8.526458551144E-04 WCA energy for atom 215: -4.563564851725E-03 WCA energy for atom 216: -3.168036373763E-03 WCA energy for atom 217: -3.066364018507E-03 WCA energy for atom 218: -1.205277494333E-03 WCA energy for atom 219: 0.000000000000E+00 WCA energy for atom 220: -8.283649440369E-03 WCA energy for atom 221: -8.794898904818E-03 WCA energy for atom 222: -6.442018978492E-03 WCA energy for atom 223: -4.871189510531E-03 WCA energy for atom 224: -2.810456100492E-02 WCA energy for atom 225: -3.589358777237E-02 WCA energy for atom 226: -3.225376779717E-02 WCA energy for atom 227: -6.378487911079E-02 WCA energy for atom 228: 0.000000000000E+00 WCA energy for atom 229: -7.869134445374E-03 WCA energy for atom 230: -8.088212438177E-03 WCA energy for atom 231: -1.331909855484E-02 WCA energy for atom 232: -2.311174601388E-02 WCA energy for atom 233: -1.758978524755E-02 WCA energy for atom 234: -1.094119997195E-02 WCA energy for atom 235: -1.215808408080E-02 WCA energy for atom 236: -5.120176427857E-03 WCA energy for atom 237: -1.908599735295E-02 WCA energy for atom 238: -1.339782659141E-02 WCA energy for atom 239: -1.178224893235E-02 WCA energy for atom 240: -5.254717641134E-03 WCA energy for atom 241: -1.948995524524E-02 WCA energy for atom 242: -1.611373420758E-02 WCA energy for atom 243: -9.968032115412E-03 WCA energy for atom 244: -3.584767188431E-03 WCA energy for atom 245: 0.000000000000E+00 WCA energy for atom 246: -1.836663938594E-02 WCA energy for atom 247: -3.315048894998E-02 WCA energy for atom 248: -5.553001410942E-02 WCA energy for atom 249: -1.087821597332E-01 WCA energy for atom 250: -5.881458853547E-02 WCA energy for atom 251: -4.101444049888E-02 WCA energy for atom 252: -3.581131574358E-02 WCA energy for atom 253: -3.474284714247E-02 WCA energy for atom 254: 0.000000000000E+00 WCA energy for atom 255: -3.518910313181E-02 WCA energy for atom 256: -7.261027626651E-02 WCA energy for atom 257: -5.988002969548E-02 WCA energy for atom 258: -9.941557762813E-02 WCA energy for atom 259: 0.000000000000E+00 WCA energy for atom 260: -3.257765366506E-02 WCA energy for atom 261: -3.787691771871E-02 WCA energy for atom 262: -2.810832722161E-02 WCA energy for atom 263: -1.875080244979E-02 WCA energy for atom 264: -5.989008155574E-02 WCA energy for atom 265: -8.151358197606E-02 WCA energy for atom 266: -1.097337800318E-01 WCA energy for atom 267: -1.089822171303E-01 WCA energy for atom 268: 0.000000000000E+00 WCA energy for atom 269: -4.191266826122E-02 WCA energy for atom 270: -2.015859926626E-02 WCA energy for atom 271: -1.839183086220E-02 WCA energy for atom 272: -3.092392541693E-02 WCA energy for atom 273: -4.087833846928E-02 WCA energy for atom 274: -4.160555268695E-02 WCA energy for atom 275: -2.611330954867E-02 WCA energy for atom 276: -7.355931777644E-02 WCA energy for atom 277: -2.246985746709E-02 WCA energy for atom 278: 0.000000000000E+00 WCA energy for atom 279: -1.068172978383E-02 WCA energy for atom 280: -8.248609416984E-03 WCA energy for atom 281: -4.392924640931E-03 WCA energy for atom 282: -3.979856142883E-03 WCA energy for atom 283: -7.724553132321E-03 WCA energy for atom 284: -1.426287309840E-02 WCA energy for atom 285: -1.341420487917E-02 WCA energy for atom 286: -1.742463122944E-02 WCA energy for atom 287: 0.000000000000E+00 WCA energy for atom 288: -3.368093985302E-03 WCA energy for atom 289: -3.524384313938E-03 WCA energy for atom 290: -4.937149873757E-03 WCA energy for atom 291: -5.206569069972E-03 WCA energy for atom 292: -5.410306179825E-03 WCA energy for atom 293: -3.744762268754E-03 WCA energy for atom 294: -3.959857303152E-03 WCA energy for atom 295: -1.579915918735E-03 WCA energy for atom 296: -3.608576420982E-03 WCA energy for atom 297: -1.255739238189E-03 WCA energy for atom 298: -3.502154904185E-03 WCA energy for atom 299: -1.453041856244E-03 WCA energy for atom 300: -4.155246350654E-03 WCA energy for atom 301: -2.086020167753E-03 WCA energy for atom 302: -3.207289805621E-03 WCA energy for atom 303: -1.044886428550E-03 WCA energy for atom 304: 0.000000000000E+00 WCA energy for atom 305: -6.336810409666E-03 WCA energy for atom 306: -6.835056864174E-03 WCA energy for atom 307: -6.468745004665E-03 WCA energy for atom 308: -6.281621338992E-03 WCA energy for atom 309: -1.942329091229E-02 WCA energy for atom 310: -2.383880987971E-02 WCA energy for atom 311: -5.084669307546E-02 WCA energy for atom 312: -3.533515313717E-02 WCA energy for atom 313: -1.485987863225E-02 WCA energy for atom 314: -4.668739383995E-02 WCA energy for atom 315: -2.177752338120E-02 WCA energy for atom 316: -6.320100922755E-02 WCA energy for atom 317: 0.000000000000E+00 WCA energy for atom 318: 0.000000000000E+00 WCA energy for atom 319: 0.000000000000E+00 WCA energy for atom 320: -7.063290765796E-03 WCA energy for atom 321: -6.869919747629E-03 WCA energy for atom 322: -1.494483304674E-02 WCA energy for atom 323: -2.803441143853E-02 WCA energy for atom 324: -7.581316821095E-03 WCA energy for atom 325: -1.483979940363E-02 WCA energy for atom 326: -6.454592220499E-03 WCA energy for atom 327: 0.000000000000E+00 WCA energy for atom 328: -1.721019122065E-02 WCA energy for atom 329: -2.599568616499E-02 WCA energy for atom 330: -1.891486190206E-02 WCA energy for atom 331: -1.532003390991E-02 WCA energy for atom 332: -4.397927897340E-02 WCA energy for atom 333: -4.338568767900E-02 WCA energy for atom 334: -3.251994657882E-02 WCA energy for atom 335: -6.415142125051E-02 WCA energy for atom 336: 0.000000000000E+00 WCA energy for atom 337: -2.670748692830E-02 WCA energy for atom 338: -2.710026940791E-02 WCA energy for atom 339: -3.752488432979E-02 WCA energy for atom 340: -6.404544322198E-02 WCA energy for atom 341: -6.796587048130E-02 WCA energy for atom 342: -5.525898401857E-02 WCA energy for atom 343: -4.474352114025E-02 WCA energy for atom 344: -2.296942973823E-02 WCA energy for atom 345: 0.000000000000E+00 WCA energy for atom 346: -3.779802808835E-02 WCA energy for atom 347: -5.073999550231E-02 WCA energy for atom 348: -4.475753417357E-02 WCA energy for atom 349: -6.075148391674E-02 WCA energy for atom 350: -1.226696098893E-01 WCA energy for atom 351: 0.000000000000E+00 WCA energy for atom 352: -2.998707915284E-02 WCA energy for atom 353: -3.782537567079E-02 WCA energy for atom 354: -3.839400946795E-02 WCA energy for atom 355: -7.439823083045E-02 WCA energy for atom 356: -4.988643599910E-02 WCA energy for atom 357: -8.240983500788E-02 WCA energy for atom 358: -7.181081469019E-02 WCA energy for atom 359: -1.098953795886E-01 WCA energy for atom 360: -1.072725539393E-01 WCA energy for atom 361: 0.000000000000E+00 WCA energy for atom 362: 0.000000000000E+00 WCA energy for atom 363: 0.000000000000E+00 WCA energy for atom 364: 0.000000000000E+00 WCA energy for atom 365: -2.204340035025E-02 WCA energy for atom 366: -2.669114667091E-02 WCA energy for atom 367: -4.214724599013E-02 WCA energy for atom 368: -5.783166522192E-02 WCA energy for atom 369: -6.859229699629E-02 WCA energy for atom 370: -4.988885820171E-02 WCA energy for atom 371: -9.028124344521E-02 WCA energy for atom 372: -9.749248151299E-02 WCA energy for atom 373: -7.777385969394E-02 WCA energy for atom 374: 0.000000000000E+00 WCA energy for atom 375: 0.000000000000E+00 WCA energy for atom 376: 0.000000000000E+00 WCA energy for atom 377: 0.000000000000E+00 WCA energy for atom 378: -3.214075041060E-02 WCA energy for atom 379: -3.313935519120E-02 WCA energy for atom 380: -1.749084912134E-02 WCA energy for atom 381: -9.230955375522E-03 WCA energy for atom 382: -4.526997525420E-02 WCA energy for atom 383: -5.110396817323E-02 WCA energy for atom 384: -6.273265455275E-02 WCA energy for atom 385: -1.084429267233E-01 WCA energy for atom 386: -7.556456210485E-02 WCA energy for atom 387: 0.000000000000E+00 WCA energy for atom 388: -2.924443948564E-02 WCA energy for atom 389: -1.335971015971E-02 WCA energy for atom 390: -2.213642367955E-02 WCA energy for atom 391: -5.085314923229E-02 WCA energy for atom 392: -1.508964302553E-02 WCA energy for atom 393: -3.150665689037E-02 WCA energy for atom 394: -3.651037018095E-02 WCA energy for atom 395: 0.000000000000E+00 WCA energy for atom 396: 0.000000000000E+00 WCA energy for atom 397: -1.603221975620E-02 WCA energy for atom 398: -2.450506124240E-02 WCA energy for atom 399: -1.961484158184E-02 WCA energy for atom 400: 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atom 1581: 0.000000000000E+00 WCA energy for atom 1582: 0.000000000000E+00 WCA energy for atom 1583: 0.000000000000E+00 WCA energy for atom 1584: 0.000000000000E+00 WCA energy for atom 1585: 0.000000000000E+00 WCA energy for atom 1586: 0.000000000000E+00 WCA energy for atom 1587: -1.061623349105E-02 WCA energy for atom 1588: -2.235839006740E-02 WCA energy for atom 1589: -3.108304053436E-02 WCA energy for atom 1590: -4.431113860417E-02 WCA energy for atom 1591: -6.259449034553E-02 WCA energy for atom 1592: -3.925166077488E-02 WCA energy for atom 1593: -6.838399735155E-02 WCA energy for atom 1594: -2.964987667140E-02 WCA energy for atom 1595: -1.489112102059E-02 WCA energy for atom 1596: -5.661172738376E-02 WCA energy for atom 1597: -8.093483445546E-02 WCA energy for atom 1598: 0.000000000000E+00 WCA energy for atom 1599: 0.000000000000E+00 WCA energy for atom 1600: 0.000000000000E+00 WCA energy for atom 1601: 0.000000000000E+00 WCA energy for atom 1602: 0.000000000000E+00 WCA energy for atom 1603: 0.000000000000E+00 WCA energy for atom 1604: -2.832601003009E-02 WCA energy for atom 1605: -3.839591324640E-02 WCA energy for atom 1606: -2.531760131734E-02 WCA energy for atom 1607: -3.172506553510E-02 WCA energy for atom 1608: -1.031225800446E-01 WCA energy for atom 1609: 0.000000000000E+00 WCA energy for atom 1610: -1.229396507902E-02 WCA energy for atom 1611: -9.738034303913E-03 WCA energy for atom 1612: -7.498293464902E-03 WCA energy for atom 1613: -6.544165141917E-03 WCA energy for atom 1614: -1.698839838803E-02 WCA energy for atom 1615: 0.000000000000E+00 WCA energy for atom 1616: -8.660189057346E-03 WCA energy for atom 1617: -8.840769579391E-03 WCA energy for atom 1618: -8.588303148968E-03 WCA energy for atom 1619: -6.593957992167E-03 WCA energy for atom 1620: -2.223777092175E-02 WCA energy for atom 1621: -4.145074701346E-02 WCA energy for atom 1622: -3.149415483339E-02 WCA energy for atom 1623: 0.000000000000E+00 WCA energy for atom 1624: -1.537308441805E-02 WCA energy for atom 1625: -2.811083344837E-02 WCA energy for atom 1626: -3.690177183163E-02 WCA energy for atom 1627: -3.363277102150E-02 WCA energy for atom 1628: -8.030894810477E-02 WCA energy for atom 1629: -4.281200358361E-02 WCA energy for atom 1630: -6.958570550226E-02 WCA energy for atom 1631: -1.662797081303E-02 WCA energy for atom 1632: 0.000000000000E+00 WCA energy for atom 1633: -3.568511813201E-02 WCA energy for atom 1634: -3.888252732784E-02 WCA energy for atom 1635: -2.935083294520E-02 WCA energy for atom 1636: -4.509027753202E-02 WCA energy for atom 1637: -5.363055604246E-02 WCA energy for atom 1638: -3.537943683404E-02 WCA energy for atom 1639: -1.213819562207E-01 WCA energy for atom 1640: 0.000000000000E+00 WCA energy for atom 1641: 0.000000000000E+00 WCA energy for atom 1642: -1.406019577817E-02 WCA energy for atom 1643: -9.169872464387E-03 WCA energy for atom 1644: -6.645526301940E-03 WCA energy for atom 1645: -6.508532745967E-03 WCA energy for atom 1646: -1.457347570823E-02 WCA energy for atom 1647: -6.049784981785E-03 WCA energy for atom 1648: -5.806097422816E-03 WCA energy for atom 1649: -3.376589870974E-03 WCA energy for atom 1650: -6.688213996419E-03 WCA energy for atom 1651: -2.427083278147E-03 WCA energy for atom 1652: -4.350000537429E-03 WCA energy for atom 1653: -1.067079639398E-03 WCA energy for atom 1654: -9.193351900899E-03 WCA energy for atom 1655: -4.524066784735E-03 WCA energy for atom 1656: -7.155285856334E-03 WCA energy for atom 1657: -1.061525773433E-02 WCA energy for atom 1658: 0.000000000000E+00 WCA energy for atom 1659: 0.000000000000E+00 WCA energy for atom 1660: -6.439461601204E-03 WCA energy for atom 1661: -5.947608440290E-03 WCA energy for atom 1662: -6.009547428444E-03 WCA energy for atom 1663: -6.450387007226E-03 WCA energy for atom 1664: -5.170674501618E-03 WCA energy for atom 1665: -9.869850132992E-03 WCA energy for atom 1666: 0.000000000000E+00 WCA energy for atom 1667: -8.092979897595E-03 WCA energy for atom 1668: -1.811366207560E-02 WCA energy for atom 1669: -3.556291198907E-02 WCA energy for atom 1670: -5.144985624225E-02 WCA energy for atom 1671: -3.931691119044E-02 WCA energy for atom 1672: -3.911176285653E-02 WCA energy for atom 1673: -5.650359903154E-02 WCA energy for atom 1674: -3.924195939756E-02 WCA energy for atom 1675: -1.281229973402E-02 WCA energy for atom 1676: -2.792425282652E-02 WCA energy for atom 1677: -7.574853663026E-02 WCA energy for atom 1678: 0.000000000000E+00 WCA energy for atom 1679: 0.000000000000E+00 WCA energy for atom 1680: 0.000000000000E+00 WCA energy for atom 1681: 0.000000000000E+00 WCA energy for atom 1682: 0.000000000000E+00 WCA energy for atom 1683: 0.000000000000E+00 WCA energy for atom 1684: -3.118344376614E-02 WCA energy for atom 1685: -2.835203780922E-02 WCA energy for atom 1686: -1.294872419608E-02 WCA energy for atom 1687: -1.746955010238E-02 WCA energy for atom 1688: -4.138022970111E-02 WCA energy for atom 1689: -2.929167196479E-02 WCA energy for atom 1690: -7.635566764229E-02 WCA energy for atom 1691: -1.717453719634E-02 WCA energy for atom 1692: -3.545685664272E-03 WCA energy for atom 1693: -5.396648258104E-02 WCA energy for atom 1694: -2.965780271395E-02 WCA energy for atom 1695: -3.484289816581E-02 WCA energy for atom 1696: 0.000000000000E+00 WCA energy for atom 1697: 0.000000000000E+00 WCA energy for atom 1698: 0.000000000000E+00 WCA energy for atom 1699: -6.656858335745E-03 WCA energy for atom 1700: -6.188689430402E-03 WCA energy for atom 1701: -9.593163478126E-03 WCA energy for atom 1702: -1.161906936057E-02 WCA energy for atom 1703: -1.190425528041E-02 WCA energy for atom 1704: -7.264760481600E-03 WCA energy for atom 1705: -6.084171672970E-03 WCA energy for atom 1706: -9.533849884797E-03 WCA energy for atom 1707: 0.000000000000E+00 WCA energy for atom 1708: 0.000000000000E+00 WCA energy for atom 1709: 0.000000000000E+00 WCA energy for atom 1710: -1.026551482760E-02 WCA energy for atom 1711: -1.399337075720E-02 WCA energy for atom 1712: -1.741889646904E-02 WCA energy for atom 1713: -2.067191869589E-02 WCA energy for atom 1714: -1.307730720032E-02 WCA energy for atom 1715: -1.124647721254E-02 WCA energy for atom 1716: -2.021218400186E-02 WCA energy for atom 1717: -1.218848632568E-02 WCA energy for atom 1718: -1.177527630059E-02 WCA energy for atom 1719: -4.524793232356E-03 WCA energy for atom 1720: -2.443415667333E-02 WCA energy for atom 1721: -1.584575642690E-02 WCA energy for atom 1722: -1.244561617892E-02 WCA energy for atom 1723: -4.624208793226E-03 WCA energy for atom 1724: -1.997185009983E-02 WCA energy for atom 1725: -2.060182857087E-02 WCA energy for atom 1726: 0.000000000000E+00 WCA energy for atom 1727: 0.000000000000E+00 WCA energy for atom 1728: -2.902632632901E-02 WCA energy for atom 1729: -6.005193592571E-02 WCA energy for atom 1730: -4.830042668337E-02 WCA energy for atom 1731: -8.277177453549E-02 WCA energy for atom 1732: 0.000000000000E+00 WCA energy for atom 1733: -2.722288226462E-02 WCA energy for atom 1734: -1.825303057376E-02 WCA energy for atom 1735: -1.663138327618E-02 WCA energy for atom 1736: -2.417424719071E-02 WCA energy for atom 1737: -1.184615210012E-02 WCA energy for atom 1738: -9.222748459390E-03 WCA energy for atom 1739: -3.320369014479E-02 WCA energy for atom 1740: 0.000000000000E+00 WCA energy for atom 1741: -1.084447383960E-02 WCA energy for atom 1742: -1.671845351934E-02 WCA energy for atom 1743: -1.532812397133E-02 WCA energy for atom 1744: -1.006251292325E-02 WCA energy for atom 1745: 0.000000000000E+00 WCA energy for atom 1746: -2.028534860427E-02 WCA energy for atom 1747: -1.844505792749E-02 WCA energy for atom 1748: -1.587623843302E-02 WCA energy for atom 1749: -9.886291063211E-03 WCA energy for atom 1750: -4.594055381861E-02 WCA energy for atom 1751: -3.637095867017E-02 WCA energy for atom 1752: -5.649290857115E-02 WCA energy for atom 1753: -7.052167911454E-02 WCA energy for atom 1754: -8.631212482262E-02 WCA energy for atom 1755: 0.000000000000E+00 WCA energy for atom 1756: -2.944885738948E-02 WCA energy for atom 1757: -3.474077071475E-02 WCA energy for atom 1758: -3.663353717746E-02 WCA energy for atom 1759: -7.183426005835E-02 WCA energy for atom 1760: -7.658076046211E-02 WCA energy for atom 1761: -5.480189419523E-02 WCA energy for atom 1762: 0.000000000000E+00 WCA energy for atom 1763: 0.000000000000E+00 WCA energy for atom 1764: -2.266882400194E-02 WCA energy for atom 1765: -2.421514595590E-02 WCA energy for atom 1766: -1.628035297875E-02 WCA energy for atom 1767: -2.562661338711E-02 WCA energy for atom 1768: -3.372124226829E-02 WCA energy for atom 1769: -9.802885954164E-03 WCA energy for atom 1770: -6.519076521604E-03 WCA energy for atom 1771: -3.588437697691E-03 WCA energy for atom 1772: -1.080359402643E-02 WCA energy for atom 1773: -6.147770100391E-03 WCA energy for atom 1774: -4.889438251409E-03 WCA energy for atom 1775: -2.357056459743E-03 WCA energy for atom 1776: -8.536476680974E-03 WCA energy for atom 1777: -5.332516063591E-03 WCA energy for atom 1778: -4.274099546316E-03 WCA energy for atom 1779: -1.128809519965E-03 WCA energy for atom 1780: 0.000000000000E+00 WCA energy for atom 1781: -1.212155209956E-02 WCA energy for atom 1782: -1.743522838230E-02 WCA energy for atom 1783: -1.693918125089E-02 WCA energy for atom 1784: -3.806522217833E-02 WCA energy for atom 1785: -1.681888218488E-02 WCA energy for atom 1786: -1.625886784743E-02 WCA energy for atom 1787: -3.368479155882E-02 WCA energy for atom 1788: 0.000000000000E+00 WCA energy for atom 1789: 0.000000000000E+00 WCA energy for atom 1790: -1.004703394340E-02 WCA energy for atom 1791: -1.422827741395E-02 WCA energy for atom 1792: -2.612022669420E-02 WCA energy for atom 1793: -4.858117675514E-02 WCA energy for atom 1794: -1.498798995429E-02 WCA energy for atom 1795: -5.255446466299E-02 WCA energy for atom 1796: -2.294774772098E-02 WCA energy for atom 1797: 0.000000000000E+00 WCA energy for atom 1798: -1.761126882897E-02 WCA energy for atom 1799: -2.743449151406E-02 WCA energy for atom 1800: -3.351124028666E-02 WCA energy for atom 1801: -5.492018242728E-02 WCA energy for atom 1802: -5.597171816598E-02 WCA energy for atom 1803: -5.785639968387E-02 WCA energy for atom 1804: -7.787301703946E-02 WCA energy for atom 1805: -1.059673204952E-01 WCA energy for atom 1806: -9.964175656460E-02 WCA energy for atom 1807: 0.000000000000E+00 WCA energy for atom 1808: 0.000000000000E+00 WCA energy for atom 1809: 0.000000000000E+00 WCA energy for atom 1810: -2.917155114504E-02 WCA energy for atom 1811: -3.541658958548E-02 WCA energy for atom 1812: -4.192528487744E-02 WCA energy for atom 1813: -5.396390771343E-02 WCA energy for atom 1814: -4.930486171123E-02 WCA energy for atom 1815: -5.522372036323E-02 WCA energy for atom 1816: -6.513508231072E-02 WCA energy for atom 1817: -6.474778431565E-02 WCA energy for atom 1818: -2.091328023628E-02 WCA energy for atom 1819: -6.644836938033E-02 WCA energy for atom 1820: -1.011225899845E-01 WCA energy for atom 1821: 0.000000000000E+00 WCA energy for atom 1822: 0.000000000000E+00 WCA energy for atom 1823: 0.000000000000E+00 WCA energy for atom 1824: 0.000000000000E+00 WCA energy for atom 1825: 0.000000000000E+00 WCA energy for atom 1826: 0.000000000000E+00 WCA energy for atom 1827: -4.726648796967E-02 WCA energy for atom 1828: -4.610391697580E-02 WCA energy for atom 1829: -5.657098613861E-02 WCA energy for atom 1830: -8.158148912926E-02 WCA energy for atom 1831: -8.856389654303E-02 WCA energy for atom 1832: -1.043369965231E-01 WCA energy for atom 1833: -7.935872264044E-02 WCA energy for atom 1834: -8.971632287224E-02 WCA energy for atom 1835: -2.736368725309E-02 WCA energy for atom 1836: -6.411050773335E-02 WCA energy for atom 1837: -1.245165565723E-01 WCA energy for atom 1838: 0.000000000000E+00 WCA energy for atom 1839: 0.000000000000E+00 WCA energy for atom 1840: 0.000000000000E+00 WCA energy for atom 1841: 0.000000000000E+00 WCA energy for atom 1842: 0.000000000000E+00 WCA energy for atom 1843: 0.000000000000E+00 WCA energy for atom 1844: -5.001704346406E-02 WCA energy for atom 1845: -5.365936825021E-02 WCA energy for atom 1846: -8.232782412601E-02 WCA energy for atom 1847: -5.697623411606E-02 WCA energy for atom 1848: -6.136067715053E-02 WCA energy for atom 1849: -1.318451658963E-01 WCA energy for atom 1850: -9.302598011388E-02 WCA energy for atom 1851: -2.675866316535E-01 WCA energy for atom 1852: 0.000000000000E+00 WCA energy for atom 1853: -6.490772952645E-02 WCA energy for atom 1854: -5.589493466294E-02 WCA energy for atom 1855: -3.465175518797E-02 WCA energy for atom 1856: -3.183065358557E-02 WCA energy for atom 1857: -6.833078389136E-02 WCA energy for atom 1858: -7.036402075575E-02 WCA energy for atom 1859: -8.080152843492E-02 WCA energy for atom 1860: 0.000000000000E+00 WCA energy for atom 1861: 0.000000000000E+00 WCA energy for atom 1862: -3.291658399877E-02 WCA energy for atom 1863: -1.943478615657E-02 WCA energy for atom 1864: -1.912123950330E-02 WCA energy for atom 1865: -3.218674831552E-02 WCA energy for atom 1866: -4.137347284449E-02 WCA energy for atom 1867: -7.031888177684E-02 WCA energy for atom 1868: -9.421634185527E-02 WCA energy for atom 1869: -9.904466365468E-02 WCA energy for atom 1870: -1.293984482446E-01 WCA energy for atom 1871: 0.000000000000E+00 WCA energy for atom 1872: 0.000000000000E+00 WCA energy for atom 1873: 0.000000000000E+00 WCA energy for atom 1874: 0.000000000000E+00 WCA energy for atom 1875: -1.000805527390E-02 WCA energy for atom 1876: -7.971254225957E-03 WCA energy for atom 1877: -1.753672318511E-02 WCA energy for atom 1878: -3.002281638414E-02 WCA energy for atom 1879: -6.623014825647E-03 WCA energy for atom 1880: -3.501117637118E-03 WCA energy for atom 1881: -4.011397644525E-03 WCA energy for atom 1882: -1.433674428513E-03 WCA energy for atom 1883: -3.620559778132E-03 WCA energy for atom 1884: -1.845671698559E-03 WCA energy for atom 1885: -7.182029180733E-03 WCA energy for atom 1886: -5.270030150481E-03 WCA energy for atom 1887: -3.219825976717E-03 WCA energy for atom 1888: -1.023247090211E-03 WCA energy for atom 1889: -5.867204506041E-03 WCA energy for atom 1890: -1.419008532262E-02 WCA energy for atom 1891: 0.000000000000E+00 WCA energy for atom 1892: 0.000000000000E+00 WCA energy for atom 1893: -1.569713686282E-02 WCA energy for atom 1894: -2.523490938029E-02 WCA energy for atom 1895: -1.433819766772E-02 WCA energy for atom 1896: -6.927320255924E-03 WCA energy for atom 1897: -2.908526582187E-02 WCA energy for atom 1898: -5.491437346889E-02 WCA energy for atom 1899: -1.024689086452E-01 WCA energy for atom 1900: 0.000000000000E+00 WCA energy for atom 1901: -1.763970569823E-02 WCA energy for atom 1902: -7.092592574778E-03 WCA energy for atom 1903: -1.249410188224E-02 WCA energy for atom 1904: -3.685584912004E-02 WCA energy for atom 1905: -9.642006284639E-03 WCA energy for atom 1906: -3.476017390661E-02 WCA energy for atom 1907: -2.626295485328E-02 WCA energy for atom 1908: -5.557392767188E-02 WCA energy for atom 1909: -4.297635047190E-02 WCA energy for atom 1910: 0.000000000000E+00 WCA energy for atom 1911: 0.000000000000E+00 WCA energy for atom 1912: 0.000000000000E+00 WCA energy for atom 1913: 0.000000000000E+00 WCA energy for atom 1914: -7.199229846768E-03 WCA energy for atom 1915: -9.685066266503E-03 WCA energy for atom 1916: -9.493660912083E-03 WCA energy for atom 1917: -4.337919667973E-03 WCA energy for atom 1918: -7.279045031837E-03 WCA energy for atom 1919: -1.130023444444E-02 WCA energy for atom 1920: -1.747672950066E-02 WCA energy for atom 1921: -1.841064400108E-02 WCA energy for atom 1922: -3.256381328332E-02 WCA energy for atom 1923: 0.000000000000E+00 WCA energy for atom 1924: 0.000000000000E+00 WCA energy for atom 1925: 0.000000000000E+00 WCA energy for atom 1926: -1.776959471668E-02 WCA energy for atom 1927: -2.305780573844E-02 WCA energy for atom 1928: -2.230773975012E-02 WCA energy for atom 1929: -2.416385213055E-02 WCA energy for atom 1930: -6.940806939841E-02 WCA energy for atom 1931: -6.968806667634E-02 WCA energy for atom 1932: -7.148851028156E-02 WCA energy for atom 1933: -9.437349950676E-02 WCA energy for atom 1934: 0.000000000000E+00 WCA energy for atom 1935: 0.000000000000E+00 WCA energy for atom 1936: 0.000000000000E+00 WCA energy for atom 1937: -2.073684781417E-02 WCA energy for atom 1938: -1.545439660610E-02 WCA energy for atom 1939: -2.479299051699E-02 WCA energy for atom 1940: -5.249998276691E-02 WCA energy for atom 1941: -1.491563162183E-02 WCA energy for atom 1942: -1.749316223313E-02 WCA energy for atom 1943: -1.033728686620E-02 WCA energy for atom 1944: 0.000000000000E+00 WCA energy for atom 1945: 0.000000000000E+00 WCA energy for atom 1946: -2.785401928553E-02 WCA energy for atom 1947: -2.691269695969E-02 WCA energy for atom 1948: -2.402217463611E-02 WCA energy for atom 1949: -1.716464658724E-02 WCA energy for atom 1950: -2.796182921032E-02 WCA energy for atom 1951: -1.971093947610E-02 WCA energy for atom 1952: -1.564156307379E-02 WCA energy for atom 1953: -6.093078269356E-02 WCA energy for atom 1954: 0.000000000000E+00 WCA energy for atom 1955: -3.802878550931E-02 WCA energy for atom 1956: -1.894755277313E-02 WCA energy for atom 1957: -1.495641752223E-02 WCA energy for atom 1958: -2.749028255570E-02 WCA energy for atom 1959: -3.772836103291E-02 WCA energy for atom 1960: -6.436029095809E-02 WCA energy for atom 1961: -7.639253910748E-02 WCA energy for atom 1962: -5.158149145885E-02 WCA energy for atom 1963: -9.153373361637E-02 WCA energy for atom 1964: 0.000000000000E+00 WCA energy for atom 1965: 0.000000000000E+00 WCA energy for atom 1966: 0.000000000000E+00 WCA energy for atom 1967: 0.000000000000E+00 WCA energy for atom 1968: -6.631828862706E-03 WCA energy for atom 1969: -5.321609980564E-03 WCA energy for atom 1970: -1.289897756751E-02 WCA energy for atom 1971: -2.496491153541E-02 WCA energy for atom 1972: -6.983647610755E-03 WCA energy for atom 1973: -6.056784584541E-03 WCA energy for atom 1974: -1.061733151608E-02 WCA energy for atom 1975: -1.110689395330E-02 WCA energy for atom 1976: 0.000000000000E+00 WCA energy for atom 1977: -1.250211539437E-02 WCA energy for atom 1978: -2.432180538757E-02 WCA energy for atom 1979: -2.855009905610E-02 WCA energy for atom 1980: -2.600441666181E-02 WCA energy for atom 1981: -4.684450635131E-02 WCA energy for atom 1982: 0.000000000000E+00 WCA energy for atom 1983: -3.510764697520E-02 WCA energy for atom 1984: -4.090049423117E-02 WCA energy for atom 1985: -6.031134210769E-02 WCA energy for atom 1986: -1.091426881507E-01 WCA energy for atom 1987: -5.545078225085E-02 WCA energy for atom 1988: -6.876866881947E-02 WCA energy for atom 1989: -1.290195356634E-01 WCA energy for atom 1990: -2.067803110991E-01 WCA energy for atom 1991: 0.000000000000E+00 WCA energy for atom 1992: 0.000000000000E+00 Total WCA energy: -50.9716 kJ/mol Total non-polar energy = 2.979472042822E+04 kJ/mol ---------------------------------------- CALCULATION #3 (peptideg): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 9.110859104294E+00 SASA for atom 1: 1.520699205260E+01 SASA for atom 2: 3.082614274513E+00 SASA for atom 3: 2.024706404114E+01 SASA for atom 4: 2.624875707333E+01 SASA for atom 5: 3.004895026155E+01 SASA for atom 6: 3.039485581330E+01 SASA for atom 7: 0.000000000000E+00 SASA for atom 8: 0.000000000000E+00 SASA for atom 9: 7.715653743305E+00 SASA for atom 10: 6.637517285850E+00 SASA for atom 11: 3.782348803084E+00 SASA for atom 12: 2.556700358827E+01 SASA for atom 13: 2.060723316503E+01 SASA for atom 14: 2.233103213701E+01 SASA for atom 15: 2.393729936090E+01 SASA for atom 16: 3.428009319278E+01 SASA for atom 17: 3.000532011285E+01 SASA for atom 18: 0.000000000000E+00 SASA for atom 19: 0.000000000000E+00 SASA for atom 20: 0.000000000000E+00 SASA for atom 21: 0.000000000000E+00 SASA for atom 22: 6.185970757159E+00 SASA for atom 23: 6.121053404818E+00 SASA for atom 24: 2.969143810421E+00 SASA for atom 25: 2.742898242976E+01 SASA for atom 26: 1.988245405181E+01 SASA for atom 27: 3.430710826689E+00 SASA for atom 28: 8.017029510788E+00 SASA for atom 29: 2.087980108613E+01 SASA for atom 30: 6.753083416745E+00 SASA for atom 31: 1.676093407500E+01 SASA for atom 32: 8.847622658302E+00 SASA for atom 33: 1.922137938528E+01 SASA for atom 34: 8.847622658302E+00 SASA for atom 35: 2.085261384514E+01 SASA for atom 36: 7.168379990502E+00 SASA for atom 37: 3.173252668117E+01 SASA for atom 38: 0.000000000000E+00 SASA for atom 39: 0.000000000000E+00 SASA for atom 40: 3.899851129513E+00 SASA for atom 41: 7.421777253342E+00 SASA for atom 42: 7.942932486476E-01 SASA for atom 43: 2.082599863891E+01 SASA for atom 44: 9.538382828234E+00 SASA for atom 45: 3.312231526505E+01 SASA for atom 46: 4.559466133289E+01 SASA for atom 47: 0.000000000000E+00 SASA for atom 48: 3.630895879202E+00 SASA for atom 49: 7.249622626332E+00 SASA for atom 50: 3.025879042467E+00 SASA for atom 51: 1.494277137503E+01 SASA for atom 52: 2.172378477188E+01 SASA for atom 53: 1.355532827966E+01 SASA for atom 54: 1.945150430882E+01 SASA for atom 55: 2.564150970820E+01 SASA for atom 56: 1.314518785896E+01 SASA for atom 57: 0.000000000000E+00 SASA for atom 58: 0.000000000000E+00 SASA for atom 59: 0.000000000000E+00 SASA for atom 60: 0.000000000000E+00 SASA for atom 61: 6.992836508093E+00 SASA for atom 62: 1.281595556634E+00 SASA for atom 63: 1.475116033203E+00 SASA for atom 64: 2.052870789952E+01 SASA for atom 65: 2.013710617267E+01 SASA for atom 66: 2.566109833288E+01 SASA for atom 67: 7.924020742461E+00 SASA for atom 68: 3.223257490320E+01 SASA for atom 69: 2.775281989149E+01 SASA for atom 70: 0.000000000000E+00 SASA for atom 71: 0.000000000000E+00 SASA for atom 72: 0.000000000000E+00 SASA for atom 73: 2.908078643991E+00 SASA for atom 74: 4.762944680624E+00 SASA for atom 75: 1.777703937449E+00 SASA for atom 76: 2.178045838119E+01 SASA for atom 77: 2.278157050469E+01 SASA for atom 78: 6.373257733196E+00 SASA for atom 79: 1.666392828734E+01 SASA for atom 80: 2.887907000217E+01 SASA for atom 81: 0.000000000000E+00 SASA for atom 82: 0.000000000000E+00 SASA for atom 83: 0.000000000000E+00 SASA for atom 84: 3.530037660335E+00 SASA for atom 85: 6.178438280488E+00 SASA for atom 86: 1.891174401542E-01 SASA for atom 87: 2.020012339807E+01 SASA for atom 88: 1.480093887140E+01 SASA for atom 89: 2.851584886250E+01 SASA for atom 90: 3.975070043947E+01 SASA for atom 91: 0.000000000000E+00 SASA for atom 92: 0.000000000000E+00 SASA for atom 93: 5.530392334526E+00 SASA for atom 94: 3.883043253682E+00 SASA for atom 95: 2.553085442082E+00 SASA for atom 96: 1.821296950841E+01 SASA for atom 97: 1.943191568413E+01 SASA for atom 98: 7.951876962280E+00 SASA for atom 99: 4.616336893661E+01 SASA for atom 100: 3.869172766012E+01 SASA for atom 101: 0.000000000000E+00 SASA for atom 102: 1.003539277724E+01 SASA for atom 103: 4.189095923923E+00 SASA for atom 104: 1.512939521234E+00 SASA for atom 105: 2.343902776942E+01 SASA for atom 106: 1.032320520720E+01 SASA for atom 107: 3.069537487605E+01 SASA for atom 108: 2.934375977302E+01 SASA for atom 109: 1.790400295897E+01 SASA for atom 110: 2.234009547898E+01 SASA for atom 111: 0.000000000000E+00 SASA for atom 112: 0.000000000000E+00 SASA for atom 113: 0.000000000000E+00 SASA for atom 114: 0.000000000000E+00 SASA for atom 115: 2.504645768524E+00 SASA for atom 116: 6.369721199389E+00 SASA for atom 117: 1.437292545172E+00 SASA for atom 118: 1.531829651953E+01 SASA for atom 119: 1.308520128730E+01 SASA for atom 120: 1.147314607940E+01 SASA for atom 121: 4.649674925603E+01 SASA for atom 122: 3.665222452953E+01 SASA for atom 123: 0.000000000000E+00 SASA for atom 124: 1.097673615333E+01 SASA for atom 125: 9.200708399117E+00 SASA for atom 126: 2.950232066405E+00 SASA for atom 127: 2.049741413747E+01 SASA for atom 128: 4.355515820230E+01 SASA for atom 129: 0.000000000000E+00 SASA for atom 130: 2.420597252801E+00 SASA for atom 131: 8.626859642416E+00 SASA for atom 132: 7.375580166014E-01 SASA for atom 133: 3.409455374470E+01 SASA for atom 134: 5.204513145628E+00 SASA for atom 135: 2.386774941452E+01 SASA for atom 136: 4.018213379401E+01 SASA for atom 137: 5.524529738976E+01 SASA for atom 138: 0.000000000000E+00 SASA for atom 139: 0.000000000000E+00 Total solvent accessible surface area: 1814.04 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 9.110859104294E+00 Surface tension*area energy for atom 1: 1.520699205260E+01 Surface tension*area energy for atom 2: 3.082614274513E+00 Surface tension*area energy for atom 3: 2.024706404114E+01 Surface tension*area energy for atom 4: 2.624875707333E+01 Surface tension*area energy for atom 5: 3.004895026155E+01 Surface tension*area energy for atom 6: 3.039485581330E+01 Surface tension*area energy for atom 7: 0.000000000000E+00 Surface tension*area energy for atom 8: 0.000000000000E+00 Surface tension*area energy for atom 9: 7.715653743305E+00 Surface tension*area energy for atom 10: 6.637517285850E+00 Surface tension*area energy for atom 11: 3.782348803084E+00 Surface tension*area energy for atom 12: 2.556700358827E+01 Surface tension*area energy for atom 13: 2.060723316503E+01 Surface tension*area energy for atom 14: 2.233103213701E+01 Surface tension*area energy for atom 15: 2.393729936090E+01 Surface tension*area energy for atom 16: 3.428009319278E+01 Surface tension*area energy for atom 17: 3.000532011285E+01 Surface tension*area energy for atom 18: 0.000000000000E+00 Surface tension*area energy for atom 19: 0.000000000000E+00 Surface tension*area energy for atom 20: 0.000000000000E+00 Surface tension*area energy for atom 21: 0.000000000000E+00 Surface tension*area energy for atom 22: 6.185970757159E+00 Surface tension*area energy for atom 23: 6.121053404818E+00 Surface tension*area energy for atom 24: 2.969143810421E+00 Surface tension*area energy for atom 25: 2.742898242976E+01 Surface tension*area energy for atom 26: 1.988245405181E+01 Surface tension*area energy for atom 27: 3.430710826689E+00 Surface tension*area energy for atom 28: 8.017029510788E+00 Surface tension*area energy for atom 29: 2.087980108613E+01 Surface tension*area energy for atom 30: 6.753083416745E+00 Surface tension*area energy for atom 31: 1.676093407500E+01 Surface tension*area energy for atom 32: 8.847622658302E+00 Surface tension*area energy for atom 33: 1.922137938528E+01 Surface tension*area energy for atom 34: 8.847622658302E+00 Surface tension*area energy for atom 35: 2.085261384514E+01 Surface tension*area energy for atom 36: 7.168379990502E+00 Surface tension*area energy for atom 37: 3.173252668117E+01 Surface tension*area energy for atom 38: 0.000000000000E+00 Surface tension*area energy for atom 39: 0.000000000000E+00 Surface tension*area energy for atom 40: 3.899851129513E+00 Surface tension*area energy for atom 41: 7.421777253342E+00 Surface tension*area energy for atom 42: 7.942932486476E-01 Surface tension*area energy for atom 43: 2.082599863891E+01 Surface tension*area energy for atom 44: 9.538382828234E+00 Surface tension*area energy for atom 45: 3.312231526505E+01 Surface tension*area energy for atom 46: 4.559466133289E+01 Surface tension*area energy for atom 47: 0.000000000000E+00 Surface tension*area energy for atom 48: 3.630895879202E+00 Surface tension*area energy for atom 49: 7.249622626332E+00 Surface tension*area energy for atom 50: 3.025879042467E+00 Surface tension*area energy for atom 51: 1.494277137503E+01 Surface tension*area energy for atom 52: 2.172378477188E+01 Surface tension*area energy for atom 53: 1.355532827966E+01 Surface tension*area energy for atom 54: 1.945150430882E+01 Surface tension*area energy for atom 55: 2.564150970820E+01 Surface tension*area energy for atom 56: 1.314518785896E+01 Surface tension*area energy for atom 57: 0.000000000000E+00 Surface tension*area energy for atom 58: 0.000000000000E+00 Surface tension*area energy for atom 59: 0.000000000000E+00 Surface tension*area energy for atom 60: 0.000000000000E+00 Surface tension*area energy for atom 61: 6.992836508093E+00 Surface tension*area energy for atom 62: 1.281595556634E+00 Surface tension*area energy for atom 63: 1.475116033203E+00 Surface tension*area energy for atom 64: 2.052870789952E+01 Surface tension*area energy for atom 65: 2.013710617267E+01 Surface tension*area energy for atom 66: 2.566109833288E+01 Surface tension*area energy for atom 67: 7.924020742461E+00 Surface tension*area energy for atom 68: 3.223257490320E+01 Surface tension*area energy for atom 69: 2.775281989149E+01 Surface tension*area energy for atom 70: 0.000000000000E+00 Surface tension*area energy for atom 71: 0.000000000000E+00 Surface tension*area energy for atom 72: 0.000000000000E+00 Surface tension*area energy for atom 73: 2.908078643991E+00 Surface tension*area energy for atom 74: 4.762944680624E+00 Surface tension*area energy for atom 75: 1.777703937449E+00 Surface tension*area energy for atom 76: 2.178045838119E+01 Surface tension*area energy for atom 77: 2.278157050469E+01 Surface tension*area energy for atom 78: 6.373257733196E+00 Surface tension*area energy for atom 79: 1.666392828734E+01 Surface tension*area energy for atom 80: 2.887907000217E+01 Surface tension*area energy for atom 81: 0.000000000000E+00 Surface tension*area energy for atom 82: 0.000000000000E+00 Surface tension*area energy for atom 83: 0.000000000000E+00 Surface tension*area energy for atom 84: 3.530037660335E+00 Surface tension*area energy for atom 85: 6.178438280488E+00 Surface tension*area energy for atom 86: 1.891174401542E-01 Surface tension*area energy for atom 87: 2.020012339807E+01 Surface tension*area energy for atom 88: 1.480093887140E+01 Surface tension*area energy for atom 89: 2.851584886250E+01 Surface tension*area energy for atom 90: 3.975070043947E+01 Surface tension*area energy for atom 91: 0.000000000000E+00 Surface tension*area energy for atom 92: 0.000000000000E+00 Surface tension*area energy for atom 93: 5.530392334526E+00 Surface tension*area energy for atom 94: 3.883043253682E+00 Surface tension*area energy for atom 95: 2.553085442082E+00 Surface tension*area energy for atom 96: 1.821296950841E+01 Surface tension*area energy for atom 97: 1.943191568413E+01 Surface tension*area energy for atom 98: 7.951876962280E+00 Surface tension*area energy for atom 99: 4.616336893661E+01 Surface tension*area energy for atom 100: 3.869172766012E+01 Surface tension*area energy for atom 101: 0.000000000000E+00 Surface tension*area energy for atom 102: 1.003539277724E+01 Surface tension*area energy for atom 103: 4.189095923923E+00 Surface tension*area energy for atom 104: 1.512939521234E+00 Surface tension*area energy for atom 105: 2.343902776942E+01 Surface tension*area energy for atom 106: 1.032320520720E+01 Surface tension*area energy for atom 107: 3.069537487605E+01 Surface tension*area energy for atom 108: 2.934375977302E+01 Surface tension*area energy for atom 109: 1.790400295897E+01 Surface tension*area energy for atom 110: 2.234009547898E+01 Surface tension*area energy for atom 111: 0.000000000000E+00 Surface tension*area energy for atom 112: 0.000000000000E+00 Surface tension*area energy for atom 113: 0.000000000000E+00 Surface tension*area energy for atom 114: 0.000000000000E+00 Surface tension*area energy for atom 115: 2.504645768524E+00 Surface tension*area energy for atom 116: 6.369721199389E+00 Surface tension*area energy for atom 117: 1.437292545172E+00 Surface tension*area energy for atom 118: 1.531829651953E+01 Surface tension*area energy for atom 119: 1.308520128730E+01 Surface tension*area energy for atom 120: 1.147314607940E+01 Surface tension*area energy for atom 121: 4.649674925603E+01 Surface tension*area energy for atom 122: 3.665222452953E+01 Surface tension*area energy for atom 123: 0.000000000000E+00 Surface tension*area energy for atom 124: 1.097673615333E+01 Surface tension*area energy for atom 125: 9.200708399117E+00 Surface tension*area energy for atom 126: 2.950232066405E+00 Surface tension*area energy for atom 127: 2.049741413747E+01 Surface tension*area energy for atom 128: 4.355515820230E+01 Surface tension*area energy for atom 129: 0.000000000000E+00 Surface tension*area energy for atom 130: 2.420597252801E+00 Surface tension*area energy for atom 131: 8.626859642416E+00 Surface tension*area energy for atom 132: 7.375580166014E-01 Surface tension*area energy for atom 133: 3.409455374470E+01 Surface tension*area energy for atom 134: 5.204513145628E+00 Surface tension*area energy for atom 135: 2.386774941452E+01 Surface tension*area energy for atom 136: 4.018213379401E+01 Surface tension*area energy for atom 137: 5.524529738976E+01 Surface tension*area energy for atom 138: 0.000000000000E+00 Surface tension*area energy for atom 139: 0.000000000000E+00 Total surface tension energy: 1814.04 kJ/mol Total solvent accessible volume: 0 A^3 Total pressure*volume energy: 0 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -8.994384814163E-02 WCA energy for atom 1: -7.307999644479E-02 WCA energy for atom 2: -6.699990341273E-02 WCA energy for atom 3: -8.764324821496E-02 WCA energy for atom 4: -1.109517992244E-01 WCA energy for atom 5: -1.207823681947E-01 WCA energy for atom 6: -1.165908914769E-01 WCA energy for atom 7: 0.000000000000E+00 WCA energy for atom 8: 0.000000000000E+00 WCA energy for atom 9: -6.640846241855E-02 WCA energy for atom 10: -5.477556782098E-02 WCA energy for atom 11: -6.109597107676E-02 WCA energy for atom 12: -8.471615133160E-02 WCA energy for atom 13: -8.357500807632E-02 WCA energy for atom 14: -9.891260975445E-02 WCA energy for atom 15: -1.089399053826E-01 WCA energy for atom 16: -1.227798113919E-01 WCA energy for atom 17: -1.337816513885E-01 WCA energy for atom 18: 0.000000000000E+00 WCA energy for atom 19: 0.000000000000E+00 WCA energy for atom 20: 0.000000000000E+00 WCA energy for atom 21: 0.000000000000E+00 WCA energy for atom 22: -5.934043899063E-02 WCA energy for atom 23: -5.033270279193E-02 WCA energy for atom 24: -5.954038581215E-02 WCA energy for atom 25: -8.835938238394E-02 WCA energy for atom 26: -8.114940129518E-02 WCA energy for atom 27: -5.000506798538E-02 WCA energy for atom 28: -6.319064152891E-02 WCA energy for atom 29: -3.256286710684E-02 WCA energy for atom 30: -5.822525864621E-02 WCA energy for atom 31: -2.873322677636E-02 WCA energy for atom 32: -6.950646366073E-02 WCA energy for atom 33: -3.463121802380E-02 WCA energy for atom 34: -6.808618421022E-02 WCA energy for atom 35: -3.504970802874E-02 WCA energy for atom 36: -6.848634837545E-02 WCA energy for atom 37: -1.170713430251E-01 WCA energy for atom 38: 0.000000000000E+00 WCA energy for atom 39: 0.000000000000E+00 WCA energy for atom 40: -5.493172716475E-02 WCA energy for atom 41: -4.895776712751E-02 WCA energy for atom 42: -5.161113513625E-02 WCA energy for atom 43: -7.764864621957E-02 WCA energy for atom 44: -6.644397006841E-02 WCA energy for atom 45: -1.168791660528E-01 WCA energy for atom 46: -1.407728466173E-01 WCA energy for atom 47: 0.000000000000E+00 WCA energy for atom 48: -5.118051799997E-02 WCA energy for atom 49: -5.175623663469E-02 WCA energy for atom 50: -4.654083139065E-02 WCA energy for atom 51: -5.237765745866E-02 WCA energy for atom 52: -8.282587521002E-02 WCA energy for atom 53: -7.079484817656E-02 WCA energy for atom 54: -9.082194189358E-02 WCA energy for atom 55: -1.011746612978E-01 WCA energy for atom 56: -8.308029047250E-02 WCA energy for atom 57: 0.000000000000E+00 WCA energy for atom 58: 0.000000000000E+00 WCA energy for atom 59: 0.000000000000E+00 WCA energy for atom 60: 0.000000000000E+00 WCA energy for atom 61: -5.700593452817E-02 WCA energy for atom 62: -3.955349979741E-02 WCA energy for atom 63: -4.104034601511E-02 WCA energy for atom 64: -6.750238985910E-02 WCA energy for atom 65: -8.537290683937E-02 WCA energy for atom 66: -9.912696339099E-02 WCA energy for atom 67: -9.178698149746E-02 WCA energy for atom 68: -1.241429583684E-01 WCA energy for atom 69: -9.879167387755E-02 WCA energy for atom 70: 0.000000000000E+00 WCA energy for atom 71: 0.000000000000E+00 WCA energy for atom 72: 0.000000000000E+00 WCA energy for atom 73: -3.732407997316E-02 WCA energy for atom 74: -4.218025100649E-02 WCA energy for atom 75: -5.058111285449E-02 WCA energy for atom 76: -6.784367064554E-02 WCA energy for atom 77: -8.271102530262E-02 WCA energy for atom 78: -7.816732051563E-02 WCA energy for atom 79: -7.809750935530E-02 WCA energy for atom 80: -1.085360864365E-01 WCA energy for atom 81: 0.000000000000E+00 WCA energy for atom 82: 0.000000000000E+00 WCA energy for atom 83: 0.000000000000E+00 WCA energy for atom 84: -5.242840642199E-02 WCA energy for atom 85: -4.866440510236E-02 WCA energy for atom 86: -4.870924152777E-02 WCA energy for atom 87: -7.000457914566E-02 WCA energy for atom 88: -7.011451908694E-02 WCA energy for atom 89: -9.726602602748E-02 WCA energy for atom 90: -1.286943530692E-01 WCA energy for atom 91: 0.000000000000E+00 WCA energy for atom 92: 0.000000000000E+00 WCA energy for atom 93: -5.594842279612E-02 WCA energy for atom 94: -4.638584326708E-02 WCA energy for atom 95: -5.248047699345E-02 WCA energy for atom 96: -6.666513326838E-02 WCA energy for atom 97: -7.756177159022E-02 WCA energy for atom 98: -7.155285776130E-02 WCA energy for atom 99: -1.532766036452E-01 WCA energy for atom 100: -1.282227279380E-01 WCA energy for atom 101: 0.000000000000E+00 WCA energy for atom 102: -6.210401748048E-02 WCA energy for atom 103: -4.646794593154E-02 WCA energy for atom 104: -4.807707025485E-02 WCA energy for atom 105: -8.122912843638E-02 WCA energy for atom 106: -6.974322796687E-02 WCA energy for atom 107: -1.059150699511E-01 WCA energy for atom 108: -1.132030001954E-01 WCA energy for atom 109: -8.957834775100E-02 WCA energy for atom 110: -1.072786043395E-01 WCA energy for atom 111: 0.000000000000E+00 WCA energy for atom 112: 0.000000000000E+00 WCA energy for atom 113: 0.000000000000E+00 WCA energy for atom 114: 0.000000000000E+00 WCA energy for atom 115: -4.832749384279E-02 WCA energy for atom 116: -4.717795248981E-02 WCA energy for atom 117: -5.293041702695E-02 WCA energy for atom 118: -5.760358063391E-02 WCA energy for atom 119: -7.204343290165E-02 WCA energy for atom 120: -7.151301127693E-02 WCA energy for atom 121: -1.496372032460E-01 WCA energy for atom 122: -1.213031336981E-01 WCA energy for atom 123: 0.000000000000E+00 WCA energy for atom 124: -6.925928101503E-02 WCA energy for atom 125: -6.103735184641E-02 WCA energy for atom 126: -5.721339208625E-02 WCA energy for atom 127: -7.911339120506E-02 WCA energy for atom 128: -1.357364931604E-01 WCA energy for atom 129: 0.000000000000E+00 WCA energy for atom 130: -5.150130777171E-02 WCA energy for atom 131: -5.359006946237E-02 WCA energy for atom 132: -6.591102628206E-02 WCA energy for atom 133: -1.146510552437E-01 WCA energy for atom 134: -6.359241031698E-02 WCA energy for atom 135: -8.383595798086E-02 WCA energy for atom 136: -1.353899945234E-01 WCA energy for atom 137: -2.255951150309E-01 WCA energy for atom 138: 0.000000000000E+00 WCA energy for atom 139: 0.000000000000E+00 Total WCA energy: -8.59135 kJ/mol Total non-polar energy = 1.805451476407E+03 kJ/mol ---------------------------------------- CALCULATION #4 (peptidep): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 0.000000000000E+00 SASA for atom 1: 0.000000000000E+00 SASA for atom 2: 0.000000000000E+00 SASA for atom 3: 0.000000000000E+00 SASA for atom 4: 0.000000000000E+00 SASA for atom 5: 0.000000000000E+00 SASA for atom 6: 0.000000000000E+00 SASA for atom 7: 0.000000000000E+00 SASA for atom 8: 0.000000000000E+00 SASA for atom 9: 0.000000000000E+00 SASA for atom 10: 0.000000000000E+00 SASA for atom 11: 0.000000000000E+00 SASA for atom 12: 0.000000000000E+00 SASA for atom 13: 0.000000000000E+00 SASA for atom 14: 0.000000000000E+00 SASA for atom 15: 0.000000000000E+00 SASA for atom 16: 0.000000000000E+00 SASA for atom 17: 0.000000000000E+00 SASA for atom 18: 0.000000000000E+00 SASA for atom 19: 0.000000000000E+00 SASA for atom 20: 0.000000000000E+00 SASA for atom 21: 0.000000000000E+00 SASA for atom 22: 0.000000000000E+00 SASA for atom 23: 0.000000000000E+00 SASA for atom 24: 0.000000000000E+00 SASA for atom 25: 0.000000000000E+00 SASA for atom 26: 0.000000000000E+00 SASA for atom 27: 0.000000000000E+00 SASA for atom 28: 0.000000000000E+00 SASA for atom 29: 0.000000000000E+00 SASA for atom 30: 0.000000000000E+00 SASA for atom 31: 0.000000000000E+00 SASA for atom 32: 0.000000000000E+00 SASA for atom 33: 0.000000000000E+00 SASA for atom 34: 0.000000000000E+00 SASA for atom 35: 0.000000000000E+00 SASA for atom 36: 0.000000000000E+00 SASA for atom 37: 0.000000000000E+00 SASA for atom 38: 0.000000000000E+00 SASA for atom 39: 0.000000000000E+00 SASA for atom 40: 0.000000000000E+00 SASA for atom 41: 0.000000000000E+00 SASA for atom 42: 0.000000000000E+00 SASA for atom 43: 0.000000000000E+00 SASA for atom 44: 0.000000000000E+00 SASA for atom 45: 0.000000000000E+00 SASA for atom 46: 0.000000000000E+00 SASA for atom 47: 0.000000000000E+00 SASA for atom 48: 0.000000000000E+00 SASA for atom 49: 0.000000000000E+00 SASA for atom 50: 0.000000000000E+00 SASA for atom 51: 0.000000000000E+00 SASA for atom 52: 0.000000000000E+00 SASA for atom 53: 0.000000000000E+00 SASA for atom 54: 0.000000000000E+00 SASA for atom 55: 0.000000000000E+00 SASA for atom 56: 0.000000000000E+00 SASA for atom 57: 0.000000000000E+00 SASA for atom 58: 0.000000000000E+00 SASA for atom 59: 0.000000000000E+00 SASA for atom 60: 0.000000000000E+00 SASA for atom 61: 0.000000000000E+00 SASA for atom 62: 0.000000000000E+00 SASA for atom 63: 0.000000000000E+00 SASA for atom 64: 0.000000000000E+00 SASA for atom 65: 0.000000000000E+00 SASA for atom 66: 0.000000000000E+00 SASA for atom 67: 0.000000000000E+00 SASA for atom 68: 0.000000000000E+00 SASA for atom 69: 0.000000000000E+00 SASA for atom 70: 0.000000000000E+00 SASA for atom 71: 0.000000000000E+00 SASA for atom 72: 0.000000000000E+00 SASA for atom 73: 0.000000000000E+00 SASA for atom 74: 0.000000000000E+00 SASA for atom 75: 0.000000000000E+00 SASA for atom 76: 0.000000000000E+00 SASA for atom 77: 0.000000000000E+00 SASA for atom 78: 0.000000000000E+00 SASA for atom 79: 0.000000000000E+00 SASA for atom 80: 0.000000000000E+00 SASA for atom 81: 0.000000000000E+00 SASA for atom 82: 0.000000000000E+00 SASA for atom 83: 0.000000000000E+00 SASA for atom 84: 0.000000000000E+00 SASA for atom 85: 0.000000000000E+00 SASA for atom 86: 0.000000000000E+00 SASA for atom 87: 0.000000000000E+00 SASA for atom 88: 0.000000000000E+00 SASA for atom 89: 0.000000000000E+00 SASA for atom 90: 0.000000000000E+00 SASA for atom 91: 0.000000000000E+00 SASA for atom 92: 0.000000000000E+00 SASA for atom 93: 0.000000000000E+00 SASA for atom 94: 0.000000000000E+00 SASA for atom 95: 0.000000000000E+00 SASA for atom 96: 0.000000000000E+00 SASA for atom 97: 0.000000000000E+00 SASA for atom 98: 0.000000000000E+00 SASA for atom 99: 0.000000000000E+00 SASA for atom 100: 0.000000000000E+00 SASA for atom 101: 0.000000000000E+00 SASA for atom 102: 0.000000000000E+00 SASA for atom 103: 0.000000000000E+00 SASA for atom 104: 0.000000000000E+00 SASA for atom 105: 0.000000000000E+00 SASA for atom 106: 0.000000000000E+00 SASA for atom 107: 0.000000000000E+00 SASA for atom 108: 0.000000000000E+00 SASA for atom 109: 0.000000000000E+00 SASA for atom 110: 0.000000000000E+00 SASA for atom 111: 0.000000000000E+00 SASA for atom 112: 0.000000000000E+00 SASA for atom 113: 0.000000000000E+00 SASA for atom 114: 0.000000000000E+00 SASA for atom 115: 0.000000000000E+00 SASA for atom 116: 0.000000000000E+00 SASA for atom 117: 0.000000000000E+00 SASA for atom 118: 0.000000000000E+00 SASA for atom 119: 0.000000000000E+00 SASA for atom 120: 0.000000000000E+00 SASA for atom 121: 0.000000000000E+00 SASA for atom 122: 0.000000000000E+00 SASA for atom 123: 0.000000000000E+00 SASA for atom 124: 0.000000000000E+00 SASA for atom 125: 0.000000000000E+00 SASA for atom 126: 0.000000000000E+00 SASA for atom 127: 0.000000000000E+00 SASA for atom 128: 0.000000000000E+00 SASA for atom 129: 0.000000000000E+00 SASA for atom 130: 0.000000000000E+00 SASA for atom 131: 0.000000000000E+00 SASA for atom 132: 0.000000000000E+00 SASA for atom 133: 0.000000000000E+00 SASA for atom 134: 0.000000000000E+00 SASA for atom 135: 0.000000000000E+00 SASA for atom 136: 0.000000000000E+00 SASA for atom 137: 0.000000000000E+00 SASA for atom 138: 0.000000000000E+00 SASA for atom 139: 0.000000000000E+00 Total solvent accessible surface area: 0 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 0.000000000000E+00 Surface tension*area energy for atom 1: 0.000000000000E+00 Surface tension*area energy for atom 2: 0.000000000000E+00 Surface tension*area energy for atom 3: 0.000000000000E+00 Surface tension*area energy for atom 4: 0.000000000000E+00 Surface tension*area energy for atom 5: 0.000000000000E+00 Surface tension*area energy for atom 6: 0.000000000000E+00 Surface tension*area energy for atom 7: 0.000000000000E+00 Surface tension*area energy for atom 8: 0.000000000000E+00 Surface tension*area energy for atom 9: 0.000000000000E+00 Surface tension*area energy for atom 10: 0.000000000000E+00 Surface tension*area energy for atom 11: 0.000000000000E+00 Surface tension*area energy for atom 12: 0.000000000000E+00 Surface tension*area energy for atom 13: 0.000000000000E+00 Surface tension*area energy for atom 14: 0.000000000000E+00 Surface tension*area energy for atom 15: 0.000000000000E+00 Surface tension*area energy for atom 16: 0.000000000000E+00 Surface tension*area energy for atom 17: 0.000000000000E+00 Surface tension*area energy for atom 18: 0.000000000000E+00 Surface tension*area energy for atom 19: 0.000000000000E+00 Surface tension*area energy for atom 20: 0.000000000000E+00 Surface tension*area energy for atom 21: 0.000000000000E+00 Surface tension*area energy for atom 22: 0.000000000000E+00 Surface tension*area energy for atom 23: 0.000000000000E+00 Surface tension*area energy for atom 24: 0.000000000000E+00 Surface tension*area energy for atom 25: 0.000000000000E+00 Surface tension*area energy for atom 26: 0.000000000000E+00 Surface tension*area energy for atom 27: 0.000000000000E+00 Surface tension*area energy for atom 28: 0.000000000000E+00 Surface tension*area energy for atom 29: 0.000000000000E+00 Surface tension*area energy for atom 30: 0.000000000000E+00 Surface tension*area energy for atom 31: 0.000000000000E+00 Surface tension*area energy for atom 32: 0.000000000000E+00 Surface tension*area energy for atom 33: 0.000000000000E+00 Surface tension*area energy for atom 34: 0.000000000000E+00 Surface tension*area energy for atom 35: 0.000000000000E+00 Surface tension*area energy for atom 36: 0.000000000000E+00 Surface tension*area energy for atom 37: 0.000000000000E+00 Surface tension*area energy for atom 38: 0.000000000000E+00 Surface tension*area energy for atom 39: 0.000000000000E+00 Surface tension*area energy for atom 40: 0.000000000000E+00 Surface tension*area energy for atom 41: 0.000000000000E+00 Surface tension*area energy for atom 42: 0.000000000000E+00 Surface tension*area energy for atom 43: 0.000000000000E+00 Surface tension*area energy for atom 44: 0.000000000000E+00 Surface tension*area energy for atom 45: 0.000000000000E+00 Surface tension*area energy for atom 46: 0.000000000000E+00 Surface tension*area energy for atom 47: 0.000000000000E+00 Surface tension*area energy for atom 48: 0.000000000000E+00 Surface tension*area energy for atom 49: 0.000000000000E+00 Surface tension*area energy for atom 50: 0.000000000000E+00 Surface tension*area energy for atom 51: 0.000000000000E+00 Surface tension*area energy for atom 52: 0.000000000000E+00 Surface tension*area energy for atom 53: 0.000000000000E+00 Surface tension*area energy for atom 54: 0.000000000000E+00 Surface tension*area energy for atom 55: 0.000000000000E+00 Surface tension*area energy for atom 56: 0.000000000000E+00 Surface tension*area energy for atom 57: 0.000000000000E+00 Surface tension*area energy for atom 58: 0.000000000000E+00 Surface tension*area energy for atom 59: 0.000000000000E+00 Surface tension*area energy for atom 60: 0.000000000000E+00 Surface tension*area energy for atom 61: 0.000000000000E+00 Surface tension*area energy for atom 62: 0.000000000000E+00 Surface tension*area energy for atom 63: 0.000000000000E+00 Surface tension*area energy for atom 64: 0.000000000000E+00 Surface tension*area energy for atom 65: 0.000000000000E+00 Surface tension*area energy for atom 66: 0.000000000000E+00 Surface tension*area energy for atom 67: 0.000000000000E+00 Surface tension*area energy for atom 68: 0.000000000000E+00 Surface tension*area energy for atom 69: 0.000000000000E+00 Surface tension*area energy for atom 70: 0.000000000000E+00 Surface tension*area energy for atom 71: 0.000000000000E+00 Surface tension*area energy for atom 72: 0.000000000000E+00 Surface tension*area energy for atom 73: 0.000000000000E+00 Surface tension*area energy for atom 74: 0.000000000000E+00 Surface tension*area energy for atom 75: 0.000000000000E+00 Surface tension*area energy for atom 76: 0.000000000000E+00 Surface tension*area energy for atom 77: 0.000000000000E+00 Surface tension*area energy for atom 78: 0.000000000000E+00 Surface tension*area energy for atom 79: 0.000000000000E+00 Surface tension*area energy for atom 80: 0.000000000000E+00 Surface tension*area energy for atom 81: 0.000000000000E+00 Surface tension*area energy for atom 82: 0.000000000000E+00 Surface tension*area energy for atom 83: 0.000000000000E+00 Surface tension*area energy for atom 84: 0.000000000000E+00 Surface tension*area energy for atom 85: 0.000000000000E+00 Surface tension*area energy for atom 86: 0.000000000000E+00 Surface tension*area energy for atom 87: 0.000000000000E+00 Surface tension*area energy for atom 88: 0.000000000000E+00 Surface tension*area energy for atom 89: 0.000000000000E+00 Surface tension*area energy for atom 90: 0.000000000000E+00 Surface tension*area energy for atom 91: 0.000000000000E+00 Surface tension*area energy for atom 92: 0.000000000000E+00 Surface tension*area energy for atom 93: 0.000000000000E+00 Surface tension*area energy for atom 94: 0.000000000000E+00 Surface tension*area energy for atom 95: 0.000000000000E+00 Surface tension*area energy for atom 96: 0.000000000000E+00 Surface tension*area energy for atom 97: 0.000000000000E+00 Surface tension*area energy for atom 98: 0.000000000000E+00 Surface tension*area energy for atom 99: 0.000000000000E+00 Surface tension*area energy for atom 100: 0.000000000000E+00 Surface tension*area energy for atom 101: 0.000000000000E+00 Surface tension*area energy for atom 102: 0.000000000000E+00 Surface tension*area energy for atom 103: 0.000000000000E+00 Surface tension*area energy for atom 104: 0.000000000000E+00 Surface tension*area energy for atom 105: 0.000000000000E+00 Surface tension*area energy for atom 106: 0.000000000000E+00 Surface tension*area energy for atom 107: 0.000000000000E+00 Surface tension*area energy for atom 108: 0.000000000000E+00 Surface tension*area energy for atom 109: 0.000000000000E+00 Surface tension*area energy for atom 110: 0.000000000000E+00 Surface tension*area energy for atom 111: 0.000000000000E+00 Surface tension*area energy for atom 112: 0.000000000000E+00 Surface tension*area energy for atom 113: 0.000000000000E+00 Surface tension*area energy for atom 114: 0.000000000000E+00 Surface tension*area energy for atom 115: 0.000000000000E+00 Surface tension*area energy for atom 116: 0.000000000000E+00 Surface tension*area energy for atom 117: 0.000000000000E+00 Surface tension*area energy for atom 118: 0.000000000000E+00 Surface tension*area energy for atom 119: 0.000000000000E+00 Surface tension*area energy for atom 120: 0.000000000000E+00 Surface tension*area energy for atom 121: 0.000000000000E+00 Surface tension*area energy for atom 122: 0.000000000000E+00 Surface tension*area energy for atom 123: 0.000000000000E+00 Surface tension*area energy for atom 124: 0.000000000000E+00 Surface tension*area energy for atom 125: 0.000000000000E+00 Surface tension*area energy for atom 126: 0.000000000000E+00 Surface tension*area energy for atom 127: 0.000000000000E+00 Surface tension*area energy for atom 128: 0.000000000000E+00 Surface tension*area energy for atom 129: 0.000000000000E+00 Surface tension*area energy for atom 130: 0.000000000000E+00 Surface tension*area energy for atom 131: 0.000000000000E+00 Surface tension*area energy for atom 132: 0.000000000000E+00 Surface tension*area energy for atom 133: 0.000000000000E+00 Surface tension*area energy for atom 134: 0.000000000000E+00 Surface tension*area energy for atom 135: 0.000000000000E+00 Surface tension*area energy for atom 136: 0.000000000000E+00 Surface tension*area energy for atom 137: 0.000000000000E+00 Surface tension*area energy for atom 138: 0.000000000000E+00 Surface tension*area energy for atom 139: 0.000000000000E+00 Total surface tension energy: 0 kJ/mol Total solvent accessible volume: 2568.43 A^3 Total pressure*volume energy: 2568.43 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -8.994384814163E-02 WCA energy for atom 1: -7.307999644479E-02 WCA energy for atom 2: -6.699990341273E-02 WCA energy for atom 3: -8.764324821496E-02 WCA energy for atom 4: -1.109517992244E-01 WCA energy for atom 5: -1.207823681947E-01 WCA energy for atom 6: -1.165908914769E-01 WCA energy for atom 7: 0.000000000000E+00 WCA energy for atom 8: 0.000000000000E+00 WCA energy for atom 9: -6.640846241855E-02 WCA energy for atom 10: -5.477556782098E-02 WCA energy for atom 11: -6.109597107676E-02 WCA energy for atom 12: -8.471615133160E-02 WCA energy for atom 13: -8.357500807632E-02 WCA energy for atom 14: -9.891260975445E-02 WCA energy for atom 15: -1.089399053826E-01 WCA energy for atom 16: -1.227798113919E-01 WCA energy for atom 17: -1.337816513885E-01 WCA energy for atom 18: 0.000000000000E+00 WCA energy for atom 19: 0.000000000000E+00 WCA energy for atom 20: 0.000000000000E+00 WCA energy for atom 21: 0.000000000000E+00 WCA energy for atom 22: -5.934043899063E-02 WCA energy for atom 23: -5.033270279193E-02 WCA energy for atom 24: -5.954038581215E-02 WCA energy for atom 25: -8.835938238394E-02 WCA energy for atom 26: -8.114940129518E-02 WCA energy for atom 27: -5.000506798538E-02 WCA energy for atom 28: -6.319064152891E-02 WCA energy for atom 29: -3.256286710684E-02 WCA energy for atom 30: -5.822525864621E-02 WCA energy for atom 31: -2.873322677636E-02 WCA energy for atom 32: -6.950646366073E-02 WCA energy for atom 33: -3.463121802380E-02 WCA energy for atom 34: -6.808618421022E-02 WCA energy for atom 35: -3.504970802874E-02 WCA energy for atom 36: -6.848634837545E-02 WCA energy for atom 37: -1.170713430251E-01 WCA energy for atom 38: 0.000000000000E+00 WCA energy for atom 39: 0.000000000000E+00 WCA energy for atom 40: -5.493172716475E-02 WCA energy for atom 41: -4.895776712751E-02 WCA energy for atom 42: -5.161113513625E-02 WCA energy for atom 43: -7.764864621957E-02 WCA energy for atom 44: -6.644397006841E-02 WCA energy for atom 45: -1.168791660528E-01 WCA energy for atom 46: -1.407728466173E-01 WCA energy for atom 47: 0.000000000000E+00 WCA energy for atom 48: -5.118051799997E-02 WCA energy for atom 49: -5.175623663469E-02 WCA energy for atom 50: -4.654083139065E-02 WCA energy for atom 51: -5.237765745866E-02 WCA energy for atom 52: -8.282587521002E-02 WCA energy for atom 53: -7.079484817656E-02 WCA energy for atom 54: -9.082194189358E-02 WCA energy for atom 55: -1.011746612978E-01 WCA energy for atom 56: -8.308029047250E-02 WCA energy for atom 57: 0.000000000000E+00 WCA energy for atom 58: 0.000000000000E+00 WCA energy for atom 59: 0.000000000000E+00 WCA energy for atom 60: 0.000000000000E+00 WCA energy for atom 61: -5.700593452817E-02 WCA energy for atom 62: -3.955349979741E-02 WCA energy for atom 63: -4.104034601511E-02 WCA energy for atom 64: -6.750238985910E-02 WCA energy for atom 65: -8.537290683937E-02 WCA energy for atom 66: -9.912696339099E-02 WCA energy for atom 67: -9.178698149746E-02 WCA energy for atom 68: -1.241429583684E-01 WCA energy for atom 69: -9.879167387755E-02 WCA energy for atom 70: 0.000000000000E+00 WCA energy for atom 71: 0.000000000000E+00 WCA energy for atom 72: 0.000000000000E+00 WCA energy for atom 73: -3.732407997316E-02 WCA energy for atom 74: -4.218025100649E-02 WCA energy for atom 75: -5.058111285449E-02 WCA energy for atom 76: -6.784367064554E-02 WCA energy for atom 77: -8.271102530262E-02 WCA energy for atom 78: -7.816732051563E-02 WCA energy for atom 79: -7.809750935530E-02 WCA energy for atom 80: -1.085360864365E-01 WCA energy for atom 81: 0.000000000000E+00 WCA energy for atom 82: 0.000000000000E+00 WCA energy for atom 83: 0.000000000000E+00 WCA energy for atom 84: -5.242840642199E-02 WCA energy for atom 85: -4.866440510236E-02 WCA energy for atom 86: -4.870924152777E-02 WCA energy for atom 87: -7.000457914566E-02 WCA energy for atom 88: -7.011451908694E-02 WCA energy for atom 89: -9.726602602748E-02 WCA energy for atom 90: -1.286943530692E-01 WCA energy for atom 91: 0.000000000000E+00 WCA energy for atom 92: 0.000000000000E+00 WCA energy for atom 93: -5.594842279612E-02 WCA energy for atom 94: -4.638584326708E-02 WCA energy for atom 95: -5.248047699345E-02 WCA energy for atom 96: -6.666513326838E-02 WCA energy for atom 97: -7.756177159022E-02 WCA energy for atom 98: -7.155285776130E-02 WCA energy for atom 99: -1.532766036452E-01 WCA energy for atom 100: -1.282227279380E-01 WCA energy for atom 101: 0.000000000000E+00 WCA energy for atom 102: -6.210401748048E-02 WCA energy for atom 103: -4.646794593154E-02 WCA energy for atom 104: -4.807707025485E-02 WCA energy for atom 105: -8.122912843638E-02 WCA energy for atom 106: -6.974322796687E-02 WCA energy for atom 107: -1.059150699511E-01 WCA energy for atom 108: -1.132030001954E-01 WCA energy for atom 109: -8.957834775100E-02 WCA energy for atom 110: -1.072786043395E-01 WCA energy for atom 111: 0.000000000000E+00 WCA energy for atom 112: 0.000000000000E+00 WCA energy for atom 113: 0.000000000000E+00 WCA energy for atom 114: 0.000000000000E+00 WCA energy for atom 115: -4.832749384279E-02 WCA energy for atom 116: -4.717795248981E-02 WCA energy for atom 117: -5.293041702695E-02 WCA energy for atom 118: -5.760358063391E-02 WCA energy for atom 119: -7.204343290165E-02 WCA energy for atom 120: -7.151301127693E-02 WCA energy for atom 121: -1.496372032460E-01 WCA energy for atom 122: -1.213031336981E-01 WCA energy for atom 123: 0.000000000000E+00 WCA energy for atom 124: -6.925928101503E-02 WCA energy for atom 125: -6.103735184641E-02 WCA energy for atom 126: -5.721339208625E-02 WCA energy for atom 127: -7.911339120506E-02 WCA energy for atom 128: -1.357364931604E-01 WCA energy for atom 129: 0.000000000000E+00 WCA energy for atom 130: -5.150130777171E-02 WCA energy for atom 131: -5.359006946237E-02 WCA energy for atom 132: -6.591102628206E-02 WCA energy for atom 133: -1.146510552437E-01 WCA energy for atom 134: -6.359241031698E-02 WCA energy for atom 135: -8.383595798086E-02 WCA energy for atom 136: -1.353899945234E-01 WCA energy for atom 137: -2.255951150309E-01 WCA energy for atom 138: 0.000000000000E+00 WCA energy for atom 139: 0.000000000000E+00 Total WCA energy: -8.59135 kJ/mol Total non-polar energy = 2.559837654487E+03 kJ/mol ---------------------------------------- PRINT STATEMENTS print APOL energy 1 (complexg) end Global net APOL energy = 1.178382609455E+04 kJ/mol print APOL energy 2 (complexp) end Global net APOL energy = 2.979472042822E+04 kJ/mol print APOL energy 3 (peptideg) end Global net APOL energy = 1.805451476407E+03 kJ/mol print APOL energy 4 (peptidep) end Global net APOL energy = 2.559837654487E+03 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 2 molecules Final memory usage: 2.178 MB total, 30.560 MB high water Thanks for using APBS! --Apple-Mail-7-1046759100 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Hello Nathan,
Here are my files. I have = used OPLS parameters because it was easier for me but I'm working on = Amber parameters for further calculations.
Thanks for your = help.
Francois

=



> Message du 20/05/08 03:13
> De = : "Nathan Baker"
> A : "bagaini.fr"
> Copie =E0 : apbs-users@lists.sourcefo= rge.net
> Objet : Re: [Apbs-users] Outputfile with APOLAR = calculations
>
> Hello --

> =
Can you please send the input = file and PQR so we can know a bit more about the setup of your = system?

>
Thanks,

> =
Nathan

>

On = May 19, 2008, at 2:50 PM, bagaini.fr wrote:

Hi,
I use APBS on a windows XP plateform. I have = performed ELEC calculations with an outputfile specification to write = the results in a file. But when I do the same with APOLAR settings the = file is created, the date and time are written in the file...and that = all! What should I have done?
Thanks a lot for your help.
Francois
------------------------------------------= -------------------------------
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> Defy = all challenges. Microsoft(R) Visual Studio 2008. 
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= > apbs-users mailing list
> apbs-users@lists.sourcefo= rge.net
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>



>

--
Associate Professor, Dept. of Biochemistry = and Molecular Biophysics
Center for Computational Biology, = Washington University in St. Louis
<1dlhAP= O.in><1dlh_pep.pqr><1dlh.pqr>= <oplsP.prm>

--
Associate Professor, Dept. of = Biochemistry and Molecular Biophysics
Center for Computational Biology, = Washington University in St. Louis




= --Apple-Mail-7-1046759100--