Re: [Apbs-users] ObjectMapLoadDXFile-Error
Biomolecular electrostatics software
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sobolevnrm
From: Anderson, K. <kua...@ut...> - 2009-05-05 18:19:48
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Thanks for the help all. So I've looked at your comments, and I think the problem is in APBS installation. For the record, I simply followed the installation guide for the Intel-dmg for Mac OS X. ====================================== Running APBS from command line: ====================================== [localhost:~/APBS/test2] djroue% apbs 1fas.in csh: /Applications/apbs-1.1.0/bin/apbs: Bad CPU type in executable. ====================================== Running APBS locally through VMD ====================================== vmd > RCNE SendEventToEventTarget (suom Moved ) failed, -50 Info) Using plugin pqr for structure file /Users/djroue/APBS/test2/1fas.pqr Info) Using plugin pqr for coordinates from file /Users/djroue/APBS/test2/1fas.pqr Info) Determining bond structure from distance search ... Info) Analyzing structure ... Info) Atoms: 913 Info) Bonds: 939 Info) Residues: 61 Info) Waters: 0 Info) Segments: 1 Info) Fragments: 1 Protein: 1 Nucleic: 0 Info) Finished with coordinate file /Users/djroue/APBS/test2/1fas.pqr. RCNE SendEventToEventTarget (suom Moved ) failed, -50 RCNE SendEventToEventTarget (suom Moved ) failed, -50 apbsrun) Running job mode=normal apbsrun) dir is /tmp/apbs.6945 apbsrun) using VMD radii apbsrun) using pqrplugin for /tmp/apbs.6945/1fas.pqr Info) Opened coordinate file /tmp/apbs.6945/1fas.pqr for writing. apbsrun: error running /Applications/apbs-1.1.0/bin/apbs apbsrun) Warning: possible problem while running APBS: can't read "apbs_fd": no such variable apbsrun) Cannot access output file /tmp/apbs.6945/pot.dx apbsrun) Output files pot Info) Finished with coordinate file /tmp/apbs.6945/1fas.pqr. ====================================== Entire PQR file (1fas.pqr) ====================================== REMARK 1 PQR file generated by PDB2PQR (Version 1.4.0) REMARK 1 REMARK 1 Forcefield Used: parse REMARK 1 Naming Scheme Used: parse REMARK 1 REMARK 5 REMARK 6 Total charge on this protein: 4.0000 e REMARK 6 ATOM 1 N THR 1 46.148 16.581 2.104 -0.3200 2.0000 ATOM 2 CA THR 1 44.862 15.936 2.105 0.3300 2.0000 ATOM 3 C THR 1 43.983 16.642 1.087 0.5500 1.7000 ATOM 4 O THR 1 44.150 17.855 0.925 -0.5500 1.4000 ATOM 5 CB THR 1 44.293 16.088 3.528 0.0000 2.0000 ATOM 6 OG1 THR 1 45.409 15.915 4.403 -0.4900 1.4000 ATOM 7 CG2 THR 1 43.175 15.110 3.826 0.0000 2.0000 ATOM 8 HG22 THR 1 43.156 14.387 3.129 0.0000 0.0000 ATOM 9 H2 THR 1 46.672 16.314 1.287 0.3300 0.0000 ATOM 10 H3 THR 1 46.037 17.581 2.102 0.3300 0.0000 ATOM 11 HB THR 1 43.940 17.022 3.639 0.0000 0.0000 ATOM 12 H1 THR 1 46.671 16.318 2.922 0.3300 0.0000 ATOM 13 HG21 THR 1 43.317 14.690 4.727 0.0000 0.0000 ATOM 14 HG23 THR 1 42.291 15.587 3.825 0.0000 0.0000 ATOM 15 HA THR 1 44.971 14.986 1.819 0.0000 0.0000 ATOM 16 HG1 THR 1 45.246 15.149 5.034 0.4900 1.0000 ATOM 17 N MET 2 43.095 15.880 0.429 -0.4000 1.5000 ATOM 18 CA MET 2 42.043 16.449 -0.402 -0.0000 2.0000 ATOM 19 C MET 2 40.905 16.678 0.608 0.5500 1.7000 ATOM 20 O MET 2 40.580 15.751 1.373 -0.5500 1.4000 ATOM 21 CB MET 2 41.482 15.465 -1.413 0.0000 2.0000 ATOM 22 CG MET 2 42.439 14.993 -2.493 0.2650 2.0000 ATOM 23 SD MET 2 42.845 16.400 -3.552 -0.5300 1.8500 ATOM 24 CE MET 2 41.289 17.057 -4.054 0.2650 2.0000 ATOM 25 HG2 MET 2 43.268 14.622 -2.061 0.0000 0.0000 ATOM 26 HE1 MET 2 41.309 17.298 -5.030 0.0000 0.0000 ATOM 27 HE2 MET 2 40.559 16.381 -3.907 0.0000 0.0000 ATOM 28 HE3 MET 2 41.071 17.884 -3.524 0.0000 0.0000 ATOM 29 HB2 MET 2 41.135 14.643 -0.918 0.0000 0.0000 ATOM 30 HG1 MET 2 42.002 14.261 -3.026 0.0000 0.0000 ATOM 31 HN MET 2 43.228 14.856 0.568 0.4000 1.0000 ATOM 32 HA MET 2 42.333 17.321 -0.726 0.0000 0.0000 ATOM 33 HB1 MET 2 40.673 15.886 -1.870 0.0000 0.0000 ATOM 34 N CSS 3 40.248 17.802 0.586 -0.4000 1.5000 ATOM 35 CA CSS 3 39.209 18.135 1.542 -0.0000 2.0000 ATOM 36 C CSS 3 37.962 18.602 0.826 0.5500 1.7000 ATOM 37 O CSS 3 38.007 19.100 -0.321 -0.5500 1.4000 ATOM 38 CB CSS 3 39.687 19.276 2.433 0.2900 2.0000 ATOM 39 SG CSS 3 41.285 18.930 3.230 -0.2900 1.8500 ATOM 40 HB1 CSS 3 39.014 19.422 3.147 0.0000 0.0000 ATOM 41 HN CSS 3 40.531 18.460 -0.188 0.4000 1.0000 ATOM 42 HA CSS 3 38.981 17.305 2.064 0.0000 0.0000 ATOM 43 HB2 CSS 3 39.792 20.089 1.876 0.0000 0.0000 ATOM 44 N TYR 4 36.814 18.454 1.482 -0.4000 1.5000 ATOM 45 CA TYR 4 35.591 19.079 0.970 -0.0000 2.0000 ATOM 46 C TYR 4 35.756 20.586 1.188 0.5500 1.7000 ATOM 47 O TYR 4 36.446 21.024 2.114 -0.5500 1.4000 ATOM 48 CB TYR 4 34.373 18.592 1.741 0.1250 2.0000 ATOM 49 CG TYR 4 33.893 17.219 1.276 -0.1250 1.7000 ATOM 50 CD1 TYR 4 33.331 17.067 0.025 -0.1250 1.7000 ATOM 51 CD2 TYR 4 34.012 16.153 2.144 -0.1250 1.7000 ATOM 52 CE1 TYR 4 32.895 15.803 -0.341 -0.1250 1.7000 ATOM 53 CE2 TYR 4 33.566 14.909 1.785 -0.1250 1.7000 ATOM 54 CZ TYR 4 33.012 14.742 0.547 0.0550 1.7000 ATOM 55 OH TYR 4 32.540 13.498 0.200 -0.4900 1.4000 ATOM 56 HA TYR 4 35.535 18.912 -0.002 0.0000 0.0000 ATOM 57 HE1 TYR 4 32.495 15.652 -1.250 0.1250 1.0000 ATOM 58 HE2 TYR 4 33.644 14.138 2.416 0.1250 1.0000 ATOM 59 HN TYR 4 36.857 17.891 2.338 0.4000 1.0000 ATOM 60 HD2 TYR 4 34.429 16.293 3.042 0.1250 1.0000 ATOM 61 HD1 TYR 4 33.239 17.826 -0.591 0.1250 1.0000 ATOM 62 HB1 TYR 4 33.630 19.234 1.605 0.0000 0.0000 ATOM 63 HB2 TYR 4 34.609 18.522 2.701 0.0000 0.0000 ATOM 64 HH TYR 4 31.685 13.601 -0.305 0.4350 1.0000 ATOM 65 N SER 5 35.183 21.415 0.351 -0.4000 1.5000 ATOM 66 CA SER 5 35.369 22.844 0.489 -0.0000 2.0000 ATOM 67 C SER 5 34.055 23.585 0.623 0.5500 1.7000 ATOM 68 O SER 5 34.078 24.809 0.496 -0.5500 1.4000 ATOM 69 CB SER 5 36.143 23.279 -0.759 0.0000 2.0000 ATOM 70 OG SER 5 35.456 23.027 -1.989 -0.4900 1.4000 ATOM 71 HN SER 5 34.607 20.978 -0.390 0.4000 1.0000 ATOM 72 HA SER 5 35.908 23.012 1.332 0.0000 0.0000 ATOM 73 HB1 SER 5 37.022 22.789 -0.782 0.0000 0.0000 ATOM 74 HB2 SER 5 36.330 24.266 -0.697 0.0000 0.0000 ATOM 75 HG SER 5 34.736 23.706 -2.105 0.4900 1.0000 ATOM 76 N HID 6 32.889 22.953 0.735 -0.4000 1.5000 ATOM 77 CA HID 6 31.659 23.744 0.748 -0.0000 2.0000 ATOM 78 C HID 6 30.798 23.343 1.936 0.5500 1.7000 ATOM 79 O HID 6 31.194 22.404 2.625 -0.5500 1.4000 ATOM 80 CB HID 6 30.933 23.526 -0.586 0.1250 2.0000 ATOM 81 CG HID 6 31.716 24.056 -1.802 -0.1250 1.7000 ATOM 82 HN HID 6 32.929 21.939 0.806 0.4000 1.0000 ATOM 83 HA HID 6 31.905 24.711 0.847 0.0000 0.0000 ATOM 84 HB1 HID 6 30.053 24.000 -0.570 0.0000 0.0000 ATOM 85 HB2 HID 6 30.783 22.548 -0.731 0.0000 0.0000 ATOM 86 CD2 HID 6 31.452 25.269 -2.402 0.1550 1.7000 ATOM 87 HD1 HID 6 33.206 22.647 -2.267 0.4000 1.0000 ATOM 88 HE1 HID 6 33.895 24.234 -4.040 0.1250 1.0000 ATOM 89 CE1 HID 6 33.138 24.368 -3.404 0.1550 1.7000 ATOM 90 ND1 HID 6 32.770 23.528 -2.458 -0.4000 1.5000 ATOM 91 NE2 HID 6 32.340 25.409 -3.364 -0.5600 1.5000 ATOM 92 HD2 HID 6 30.719 25.889 -2.126 0.1250 1.0000 ATOM 93 N THR 7 29.679 24.025 2.229 -0.4000 1.5000 ATOM 94 CA THR 7 28.828 23.658 3.344 -0.0000 2.0000 ATOM 95 C THR 7 27.969 22.462 2.973 0.5500 1.7000 ATOM 96 O THR 7 27.379 21.849 3.867 -0.5500 1.4000 ATOM 97 CB THR 7 27.952 24.834 3.723 0.0000 2.0000 ATOM 98 OG1 THR 7 27.357 25.295 2.510 -0.4900 1.4000 ATOM 99 CG2 THR 7 28.734 25.939 4.402 0.0000 2.0000 ATOM 100 HA THR 7 29.409 23.401 4.123 0.0000 0.0000 ATOM 101 HG22 THR 7 29.174 26.522 3.713 0.0000 0.0000 ATOM 102 HG21 THR 7 28.118 26.503 4.960 0.0000 0.0000 ATOM 103 HN THR 7 29.488 24.824 1.592 0.4000 1.0000 ATOM 104 HB THR 7 27.214 24.520 4.338 0.0000 0.0000 ATOM 105 HG23 THR 7 29.442 25.545 4.995 0.0000 0.0000 ATOM 106 HG1 THR 7 26.489 24.815 2.338 0.4900 1.0000 ATOM 107 N THR 8 27.815 22.152 1.675 -0.4000 1.5000 ATOM 108 CA THR 8 27.185 20.909 1.295 -0.0000 2.0000 ATOM 109 C THR 8 28.267 20.039 0.634 0.5500 1.7000 ATOM 110 O THR 8 29.258 20.563 0.089 -0.5500 1.4000 ATOM 111 CB THR 8 26.016 21.201 0.330 0.0000 2.0000 ATOM 112 OG1 THR 8 26.555 21.884 -0.792 -0.4900 1.4000 ATOM 113 CG2 THR 8 24.903 22.004 1.003 0.0000 2.0000 ATOM 114 HA THR 8 26.869 20.437 2.109 0.0000 0.0000 ATOM 115 HG22 THR 8 24.901 21.818 1.987 0.0000 0.0000 ATOM 116 HG21 THR 8 25.055 22.983 0.851 0.0000 0.0000 ATOM 117 HN THR 8 28.174 22.856 1.016 0.4000 1.0000 ATOM 118 HB THR 8 25.627 20.320 0.019 0.0000 0.0000 ATOM 119 HG23 THR 8 24.017 21.742 0.615 0.0000 0.0000 ATOM 120 HG1 THR 8 26.805 22.829 -0.547 0.4900 1.0000 ATOM 121 N THR 9 28.115 18.714 0.658 -0.4000 1.5000 ATOM 122 CA THR 9 29.068 17.779 0.078 -0.0000 2.0000 ATOM 123 C THR 9 28.599 17.194 -1.255 0.5500 1.7000 ATOM 124 O THR 9 29.205 16.285 -1.818 -0.5500 1.4000 ATOM 125 CB THR 9 29.327 16.642 1.117 0.0000 2.0000 ATOM 126 OG1 THR 9 28.075 16.121 1.544 -0.4900 1.4000 ATOM 127 CG2 THR 9 30.071 17.152 2.333 0.0000 2.0000 ATOM 128 HA THR 9 29.942 18.270 -0.085 0.0000 0.0000 ATOM 129 HG22 THR 9 30.992 16.752 2.366 0.0000 0.0000 ATOM 130 HG21 THR 9 30.152 18.152 2.292 0.0000 0.0000 ATOM 131 HN THR 9 27.233 18.400 1.140 0.4000 1.0000 ATOM 132 HB THR 9 29.850 15.904 0.654 0.0000 0.0000 ATOM 133 HG23 THR 9 29.576 16.899 3.170 0.0000 0.0000 ATOM 134 HG1 THR 9 27.696 16.677 2.293 0.4900 1.0000 ATOM 135 N SER 10 27.521 17.733 -1.807 -0.4000 1.5000 ATOM 136 CA SER 10 26.893 17.198 -3.007 -0.0000 2.0000 ATOM 137 C SER 10 27.679 17.367 -4.305 0.5500 1.7000 ATOM 138 O SER 10 27.722 16.508 -5.199 -0.5500 1.4000 ATOM 139 CB SER 10 25.528 17.876 -3.187 0.0000 2.0000 ATOM 140 OG SER 10 24.980 18.337 -1.946 -0.4900 1.4000 ATOM 141 HN SER 10 27.158 18.579 -1.305 0.4000 1.0000 ATOM 142 HA SER 10 26.750 16.191 -2.863 0.0000 0.0000 ATOM 143 HB1 SER 10 24.893 17.219 -3.590 0.0000 0.0000 ATOM 144 HB2 SER 10 25.634 18.659 -3.798 0.0000 0.0000 ATOM 145 HG SER 10 25.339 19.245 -1.749 0.4900 1.0000 ATOM 146 N ARG 11 28.232 18.569 -4.408 -0.4000 1.5000 ATOM 147 CA ARG 11 28.877 19.008 -5.631 -0.0000 2.0000 ATOM 148 C ARG 11 30.240 18.375 -5.786 0.5500 1.7000 ATOM 149 O ARG 11 31.019 18.275 -4.831 -0.5500 1.4000 ATOM 150 CB ARG 11 28.934 20.531 -5.596 0.0000 2.0000 ATOM 151 CG ARG 11 27.508 21.051 -5.683 0.0000 2.0000 ATOM 152 CD ARG 11 27.410 22.535 -5.420 0.3500 2.0000 ATOM 153 NE ARG 11 26.031 22.962 -5.590 -0.3500 1.5000 ATOM 154 CZ ARG 11 25.702 23.994 -6.370 0.3500 1.7000 ATOM 155 NH1 ARG 11 26.629 24.686 -7.033 -0.7000 1.5000 ATOM 156 NH2 ARG 11 24.421 24.336 -6.491 -0.7000 1.5000 ATOM 157 HG1 ARG 11 26.941 20.574 -5.007 0.0000 0.0000 ATOM 158 HA ARG 11 28.302 18.739 -6.417 0.0000 0.0000 ATOM 159 HE ARG 11 25.311 22.475 -5.114 0.4500 1.0000 ATOM 160 HG2 ARG 11 27.145 20.869 -6.600 0.0000 0.0000 ATOM 161 HH22 ARG 11 24.166 25.118 -7.057 0.4000 1.0000 ATOM 162 HH21 ARG 11 23.716 23.810 -6.016 0.4000 1.0000 ATOM 163 HN ARG 11 28.163 19.155 -3.551 0.4000 1.0000 ATOM 164 HD1 ARG 11 27.984 23.005 -6.071 0.0000 0.0000 ATOM 165 HD2 ARG 11 27.697 22.707 -4.491 0.0000 0.0000 ATOM 166 HH12 ARG 11 26.358 25.465 -7.595 0.4000 1.0000 ATOM 167 HH11 ARG 11 27.589 24.422 -6.966 0.4000 1.0000 ATOM 168 HB1 ARG 11 29.422 20.844 -6.374 0.0000 0.0000 ATOM 169 HB2 ARG 11 29.311 20.810 -4.746 0.0000 0.0000 ATOM 170 N ALA 12 30.495 17.954 -7.023 -0.4000 1.5000 ATOM 171 CA ALA 12 31.698 17.196 -7.349 -0.0000 2.0000 ATOM 172 C ALA 12 32.986 18.029 -7.429 0.5500 1.7000 ATOM 173 O ALA 12 33.698 17.951 -8.444 -0.5500 1.4000 ATOM 174 CB ALA 12 31.456 16.461 -8.694 0.0000 2.0000 ATOM 175 HN ALA 12 29.772 18.209 -7.726 0.4000 1.0000 ATOM 176 HA ALA 12 31.832 16.475 -6.636 0.0000 0.0000 ATOM 177 HB1 ALA 12 30.657 15.876 -8.599 0.0000 0.0000 ATOM 178 HB3 ALA 12 31.303 17.139 -9.405 0.0000 0.0000 ATOM 179 HB2 ALA 12 32.259 15.914 -8.908 0.0000 0.0000 ATOM 180 N ILE 13 33.279 18.775 -6.339 -0.4000 1.5000 ATOM 181 CA ILE 13 34.410 19.694 -6.234 -0.0000 2.0000 ATOM 182 C ILE 13 35.084 19.631 -4.855 0.5500 1.7000 ATOM 183 O ILE 13 34.458 19.676 -3.789 -0.5500 1.4000 ATOM 184 CB ILE 13 33.905 21.151 -6.577 0.0000 2.0000 ATOM 185 CG1 ILE 13 35.054 22.186 -6.550 0.0000 2.0000 ATOM 186 CG2 ILE 13 32.863 21.578 -5.568 0.0000 2.0000 ATOM 187 CD1 ILE 13 35.108 23.009 -7.866 0.0000 2.0000 ATOM 188 HA ILE 13 35.097 19.377 -6.900 0.0000 0.0000 ATOM 189 HG22 ILE 13 32.519 22.484 -5.814 0.0000 0.0000 ATOM 190 HG21 ILE 13 32.112 20.919 -5.572 0.0000 0.0000 ATOM 191 HB ILE 13 33.534 21.123 -7.500 0.0000 0.0000 ATOM 192 HG12 ILE 13 34.907 22.805 -5.802 0.0000 0.0000 ATOM 193 HG11 ILE 13 35.907 21.706 -6.453 0.0000 0.0000 ATOM 194 HD13 ILE 13 34.244 23.486 -7.971 0.0000 0.0000 ATOM 195 HN ILE 13 32.593 18.626 -5.547 0.4000 1.0000 ATOM 196 HD12 ILE 13 35.858 23.655 -7.798 0.0000 0.0000 ATOM 197 HG23 ILE 13 33.279 21.610 -4.659 0.0000 0.0000 ATOM 198 HD11 ILE 13 35.254 22.381 -8.620 0.0000 0.0000 ATOM 199 N LEU 14 36.404 19.532 -4.872 -0.4000 1.5000 ATOM 200 CA LEU 14 37.221 19.365 -3.694 -0.0000 2.0000 ATOM 201 C LEU 14 38.345 20.404 -3.717 0.5500 1.7000 ATOM 202 O LEU 14 38.581 21.057 -4.739 -0.5500 1.4000 ATOM 203 CB LEU 14 37.839 17.968 -3.703 0.0000 2.0000 ATOM 204 CG LEU 14 36.895 16.755 -3.856 0.0000 2.0000 ATOM 205 CD1 LEU 14 37.739 15.499 -3.989 0.0000 2.0000 ATOM 206 CD2 LEU 14 35.922 16.696 -2.667 0.0000 2.0000 ATOM 207 HD22 LEU 14 35.383 17.535 -2.644 0.0000 0.0000 ATOM 208 HD23 LEU 14 35.318 15.910 -2.777 0.0000 0.0000 ATOM 209 HD21 LEU 14 36.444 16.606 -1.822 0.0000 0.0000 ATOM 210 HN LEU 14 36.816 19.587 -5.847 0.4000 1.0000 ATOM 211 HD13 LEU 14 38.306 15.387 -3.172 0.0000 0.0000 ATOM 212 HD12 LEU 14 37.142 14.702 -4.089 0.0000 0.0000 ATOM 213 HD11 LEU 14 38.329 15.574 -4.794 0.0000 0.0000 ATOM 214 HA LEU 14 36.664 19.528 -2.880 0.0000 0.0000 ATOM 215 HG LEU 14 36.347 16.880 -4.671 0.0000 0.0000 ATOM 216 HB1 LEU 14 38.334 17.842 -2.840 0.0000 0.0000 ATOM 217 HB2 LEU 14 38.493 17.923 -4.464 0.0000 0.0000 ATOM 218 N THR 15 39.054 20.578 -2.622 -0.4000 1.5000 ATOM 219 CA THR 15 40.189 21.504 -2.572 -0.0000 2.0000 ATOM 220 C THR 15 41.356 20.609 -2.145 0.5500 1.7000 ATOM 221 O THR 15 41.249 19.683 -1.309 -0.5500 1.4000 ATOM 222 CB THR 15 39.912 22.662 -1.548 0.0000 2.0000 ATOM 223 OG1 THR 15 40.975 23.567 -1.758 -0.4900 1.4000 ATOM 224 CG2 THR 15 39.813 22.256 -0.064 0.0000 2.0000 ATOM 225 HA THR 15 40.367 21.836 -3.473 0.0000 0.0000 ATOM 226 HG22 THR 15 39.483 23.034 0.470 0.0000 0.0000 ATOM 227 HG21 THR 15 39.176 21.491 0.027 0.0000 0.0000 ATOM 228 HN THR 15 38.750 20.013 -1.802 0.4000 1.0000 ATOM 229 HB THR 15 39.048 23.095 -1.802 0.0000 0.0000 ATOM 230 HG23 THR 15 40.717 21.982 0.264 0.0000 0.0000 ATOM 231 HG1 THR 15 41.522 23.682 -0.918 0.4900 1.0000 ATOM 232 N ASN 16 42.476 20.800 -2.824 -0.4000 1.5000 ATOM 233 CA ASN 16 43.659 20.013 -2.495 -0.0000 2.0000 ATOM 234 C ASN 16 44.452 20.879 -1.528 0.5500 1.7000 ATOM 235 O ASN 16 45.123 21.845 -1.915 -0.5500 1.4000 ATOM 236 CB ASN 16 44.483 19.714 -3.751 0.0000 2.0000 ATOM 237 CG ASN 16 45.592 18.732 -3.476 0.5500 1.7000 ATOM 238 HA ASN 16 43.356 19.220 -1.994 0.0000 0.0000 ATOM 239 HN ASN 16 42.441 21.510 -3.561 0.4000 1.0000 ATOM 240 HB1 ASN 16 44.879 20.567 -4.073 0.0000 0.0000 ATOM 241 HB2 ASN 16 43.875 19.331 -4.438 0.0000 0.0000 ATOM 242 OD1 ASN 16 46.060 18.595 -2.326 -0.5500 1.4000 ATOM 243 ND2 ASN 16 46.113 17.979 -4.457 -0.7800 1.5000 ATOM 244 HD22 ASN 16 46.816 17.342 -4.308 0.3900 1.0000 ATOM 245 HD21 ASN 16 45.734 18.102 -5.398 0.3900 1.0000 ATOM 246 N CSS 17 44.366 20.538 -0.263 -0.4000 1.5000 ATOM 247 CA CSS 17 45.035 21.300 0.777 -0.0000 2.0000 ATOM 248 C CSS 17 46.523 21.031 0.867 0.5500 1.7000 ATOM 249 O CSS 17 47.233 21.724 1.619 -0.5500 1.4000 ATOM 250 CB CSS 17 44.330 21.005 2.132 0.2900 2.0000 ATOM 251 SG CSS 17 42.615 21.616 2.050 -0.2900 1.8500 ATOM 252 HB1 CSS 17 44.796 21.494 2.828 0.0000 0.0000 ATOM 253 HN CSS 17 43.790 19.693 -0.070 0.4000 1.0000 ATOM 254 HA CSS 17 44.905 22.291 0.576 0.0000 0.0000 ATOM 255 HB2 CSS 17 44.308 20.044 2.259 0.0000 0.0000 ATOM 256 N GLY 18 47.070 20.071 0.114 -0.4000 1.5000 ATOM 257 CA GLY 18 48.487 19.780 0.177 -0.0000 2.0000 ATOM 258 C GLY 18 48.838 19.216 1.539 0.5500 1.7000 ATOM 259 O GLY 18 48.175 18.271 2.017 -0.5500 1.4000 ATOM 260 HN GLY 18 46.401 19.571 -0.500 0.4000 1.0000 ATOM 261 HA2 GLY 18 48.728 19.111 -0.533 0.0000 0.0000 ATOM 262 HA1 GLY 18 49.013 20.621 0.018 0.0000 0.0000 ATOM 263 N GLU 19 49.809 19.846 2.179 -0.4000 1.5000 ATOM 264 CA GLU 19 50.280 19.351 3.460 -0.0000 2.0000 ATOM 265 C GLU 19 49.443 19.830 4.635 0.5500 1.7000 ATOM 266 O GLU 19 49.663 19.435 5.771 -0.5500 1.4000 ATOM 267 CB GLU 19 51.739 19.754 3.715 0.0000 2.0000 ATOM 268 CG GLU 19 52.735 19.186 2.709 -0.0000 2.0000 ATOM 269 CD GLU 19 52.843 17.659 2.571 0.1000 1.7000 ATOM 270 OE1 GLU 19 52.257 16.891 3.362 -0.5500 1.4000 ATOM 271 OE2 GLU 19 53.545 17.228 1.647 -0.5500 1.4000 ATOM 272 HG2 GLU 19 52.496 19.541 1.801 0.0000 0.0000 ATOM 273 HA GLU 19 50.289 18.333 3.448 0.0000 0.0000 ATOM 274 HG1 GLU 19 53.650 19.518 2.955 0.0000 0.0000 ATOM 275 HN GLU 19 50.184 20.682 1.708 0.4000 1.0000 ATOM 276 HB1 GLU 19 51.991 19.418 4.605 0.0000 0.0000 ATOM 277 HB2 GLU 19 51.791 20.736 3.663 0.0000 0.0000 ATOM 278 N ASN 20 48.456 20.640 4.395 -0.4000 1.5000 ATOM 279 CA ASN 20 47.634 21.200 5.440 -0.0000 2.0000 ATOM 280 C ASN 20 46.432 20.306 5.771 0.5500 1.7000 ATOM 281 O ASN 20 45.998 19.524 4.907 -0.5500 1.4000 ATOM 282 CB ASN 20 47.157 22.556 4.956 0.0000 2.0000 ATOM 283 CG ASN 20 46.666 23.465 6.047 0.5500 1.7000 ATOM 284 HA ASN 20 48.195 21.248 6.280 0.0000 0.0000 ATOM 285 HN ASN 20 48.302 20.856 3.376 0.4000 1.0000 ATOM 286 HB1 ASN 20 46.410 22.412 4.298 0.0000 0.0000 ATOM 287 HB2 ASN 20 47.919 23.009 4.480 0.0000 0.0000 ATOM 288 OD1 ASN 20 46.641 23.156 7.254 -0.5500 1.4000 ATOM 289 ND2 ASN 20 46.275 24.662 5.579 -0.7800 1.5000 ATOM 290 HD22 ASN 20 45.928 25.353 6.256 0.3900 1.0000 ATOM 291 HD21 ASN 20 46.317 24.873 4.622 0.3900 1.0000 ATOM 292 N SER 21 45.861 20.491 6.971 -0.4000 1.5000 ATOM 293 CA SER 21 44.695 19.746 7.370 -0.0000 2.0000 ATOM 294 C SER 21 43.428 20.249 6.670 0.5500 1.7000 ATOM 295 O SER 21 43.424 21.326 6.049 -0.5500 1.4000 ATOM 296 CB SER 21 44.502 19.853 8.895 0.0000 2.0000 ATOM 297 OG SER 21 44.337 21.186 9.337 -0.4900 1.4000 ATOM 298 HN SER 21 46.332 21.203 7.561 0.4000 1.0000 ATOM 299 HA SER 21 44.823 18.779 7.103 0.0000 0.0000 ATOM 300 HB1 SER 21 45.307 19.457 9.343 0.0000 0.0000 ATOM 301 HB2 SER 21 43.691 19.321 9.148 0.0000 0.0000 ATOM 302 HG SER 21 44.939 21.357 10.116 0.4900 1.0000 ATOM 303 N CSS 22 42.398 19.425 6.790 -0.4000 1.5000 ATOM 304 CA CSS 22 41.025 19.811 6.412 -0.0000 2.0000 ATOM 305 C CSS 22 40.324 20.344 7.659 0.5500 1.7000 ATOM 306 O CSS 22 40.568 19.819 8.761 -0.5500 1.4000 ATOM 307 CB CSS 22 40.185 18.643 5.995 0.2900 2.0000 ATOM 308 SG CSS 22 40.805 17.585 4.676 -0.2900 1.8500 ATOM 309 HB1 CSS 22 39.271 18.994 5.709 0.0000 0.0000 ATOM 310 HN CSS 22 42.631 18.484 7.172 0.4000 1.0000 ATOM 311 HA CSS 22 41.083 20.546 5.746 0.0000 0.0000 ATOM 312 HB2 CSS 22 40.023 18.057 6.814 0.0000 0.0000 ATOM 313 N TYR 23 39.405 21.296 7.560 -0.4000 1.5000 ATOM 314 CA TYR 23 38.577 21.597 8.725 -0.0000 2.0000 ATOM 315 C TYR 23 37.090 21.509 8.380 0.5500 1.7000 ATOM 316 O TYR 23 36.695 21.618 7.210 -0.5500 1.4000 ATOM 317 CB TYR 23 38.822 23.022 9.295 0.1250 2.0000 ATOM 318 CG TYR 23 38.336 24.202 8.453 -0.1250 1.7000 ATOM 319 CD1 TYR 23 37.008 24.639 8.477 -0.1250 1.7000 ATOM 320 CD2 TYR 23 39.256 24.802 7.607 -0.1250 1.7000 ATOM 321 CE1 TYR 23 36.609 25.674 7.646 -0.1250 1.7000 ATOM 322 CE2 TYR 23 38.845 25.826 6.781 -0.1250 1.7000 ATOM 323 CZ TYR 23 37.548 26.244 6.810 0.0550 1.7000 ATOM 324 OH TYR 23 37.199 27.281 5.970 -0.4900 1.4000 ATOM 325 HA TYR 23 38.772 20.913 9.438 0.0000 0.0000 ATOM 326 HE1 TYR 23 35.669 25.998 7.654 0.1250 1.0000 ATOM 327 HE2 TYR 23 39.506 26.261 6.158 0.1250 1.0000 ATOM 328 HN TYR 23 39.333 21.766 6.660 0.4000 1.0000 ATOM 329 HD2 TYR 23 40.196 24.498 7.599 0.1250 1.0000 ATOM 330 HD1 TYR 23 36.355 24.208 9.087 0.1250 1.0000 ATOM 331 HB1 TYR 23 39.814 23.129 9.433 0.0000 0.0000 ATOM 332 HB2 TYR 23 38.369 23.074 10.192 0.0000 0.0000 ATOM 333 HH TYR 23 36.716 26.911 5.179 0.4350 1.0000 ATOM 334 N ARG 24 36.231 21.349 9.378 -0.4000 1.5000 ATOM 335 CA ARG 24 34.789 21.409 9.230 -0.0000 2.0000 ATOM 336 C ARG 24 34.311 22.302 10.381 0.5500 1.7000 ATOM 337 O ARG 24 34.560 22.000 11.565 -0.5500 1.4000 ATOM 338 CB ARG 24 34.181 20.022 9.372 0.0000 2.0000 ATOM 339 CG ARG 24 32.650 19.958 9.273 0.0000 2.0000 ATOM 340 CD ARG 24 32.322 18.524 9.703 0.3500 2.0000 ATOM 341 NE ARG 24 30.933 18.204 9.505 -0.3500 1.5000 ATOM 342 CZ ARG 24 29.976 18.469 10.395 0.3500 1.7000 ATOM 343 NH1 ARG 24 30.223 19.085 11.565 -0.7000 1.5000 ATOM 344 NH2 ARG 24 28.737 18.038 10.119 -0.7000 1.5000 ATOM 345 HG1 ARG 24 32.380 20.071 8.356 0.0000 0.0000 ATOM 346 HA ARG 24 34.562 21.847 8.379 0.0000 0.0000 ATOM 347 HE ARG 24 30.658 17.754 8.648 0.4500 1.0000 ATOM 348 HG2 ARG 24 32.258 20.565 9.908 0.0000 0.0000 ATOM 349 HH22 ARG 24 28.003 18.211 10.786 0.4000 1.0000 ATOM 350 HH21 ARG 24 28.550 17.559 9.272 0.4000 1.0000 ATOM 351 HN ARG 24 36.698 21.170 10.310 0.4000 1.0000 ATOM 352 HD1 ARG 24 32.558 18.442 10.670 0.0000 0.0000 ATOM 353 HD2 ARG 24 32.895 17.911 9.162 0.0000 0.0000 ATOM 354 HH12 ARG 24 29.492 19.246 12.204 0.4000 1.0000 ATOM 355 HH11 ARG 24 31.158 19.376 11.773 0.4000 1.0000 ATOM 356 HB1 ARG 24 34.439 19.650 10.265 0.0000 0.0000 ATOM 357 HB2 ARG 24 34.553 19.435 8.651 0.0000 0.0000 ATOM 358 N LYS 25 33.659 23.425 10.088 -0.4000 1.5000 ATOM 359 CA LYS 25 33.186 24.265 11.177 -0.0000 2.0000 ATOM 360 C LYS 25 31.680 24.251 11.202 0.5500 1.7000 ATOM 361 O LYS 25 31.052 24.150 10.147 -0.5500 1.4000 ATOM 362 CB LYS 25 33.716 25.704 11.042 0.0000 2.0000 ATOM 363 CG LYS 25 33.436 26.520 9.851 0.0000 2.0000 ATOM 364 CD LYS 25 34.213 27.859 9.978 0.0000 2.0000 ATOM 365 CE LYS 25 33.845 28.656 8.704 0.3300 2.0000 ATOM 366 NZ LYS 25 34.169 30.096 8.804 -0.3200 2.0000 ATOM 367 HA LYS 25 33.533 23.898 12.044 0.0000 0.0000 ATOM 368 HE2 LYS 25 34.343 28.249 7.928 0.0000 0.0000 ATOM 369 HE1 LYS 25 32.857 28.541 8.540 0.0000 0.0000 ATOM 370 HG2 LYS 25 33.754 26.070 9.028 0.0000 0.0000 ATOM 371 HG1 LYS 25 32.473 26.741 9.787 0.0000 0.0000 ATOM 372 HZ1 LYS 25 35.154 30.228 8.683 0.3300 0.0000 ATOM 373 HZ3 LYS 25 33.677 30.601 8.093 0.3300 0.0000 ATOM 374 HZ2 LYS 25 33.897 30.440 9.704 0.3300 0.0000 ATOM 375 HD1 LYS 25 35.157 27.673 9.965 0.0000 0.0000 ATOM 376 HD2 LYS 25 33.885 28.336 10.747 0.0000 0.0000 ATOM 377 HN LYS 25 33.532 23.626 9.097 0.4000 1.0000 ATOM 378 HB1 LYS 25 34.743 25.647 11.175 0.0000 0.0000 ATOM 379 HB2 LYS 25 33.385 26.214 11.881 0.0000 0.0000 ATOM 380 N SER 26 31.130 24.221 12.410 -0.4000 1.5000 ATOM 381 CA SER 26 29.690 24.119 12.612 -0.0000 2.0000 ATOM 382 C SER 26 29.293 24.854 13.890 0.5500 1.7000 ATOM 383 O SER 26 30.151 25.213 14.714 -0.5500 1.4000 ATOM 384 CB SER 26 29.328 22.653 12.721 0.0000 2.0000 ATOM 385 OG SER 26 30.179 22.014 13.667 -0.4900 1.4000 ATOM 386 HN SER 26 31.813 24.276 13.198 0.4000 1.0000 ATOM 387 HA SER 26 29.232 24.570 11.843 0.0000 0.0000 ATOM 388 HB1 SER 26 29.451 22.218 11.838 0.0000 0.0000 ATOM 389 HB2 SER 26 28.389 22.567 13.029 0.0000 0.0000 ATOM 390 HG SER 26 30.977 22.589 13.834 0.4900 1.0000 ATOM 391 N ARG 27 28.005 25.111 14.029 -0.4000 1.5000 ATOM 392 CA ARG 27 27.474 25.631 15.278 -0.0000 2.0000 ATOM 393 C ARG 27 27.705 24.572 16.362 0.5500 1.7000 ATOM 394 O ARG 27 27.400 23.375 16.215 -0.5500 1.4000 ATOM 395 CB ARG 27 25.994 25.895 15.127 0.0000 2.0000 ATOM 396 CG ARG 27 25.493 27.228 14.595 0.0000 2.0000 ATOM 397 CD ARG 27 23.919 27.260 14.531 0.3500 2.0000 ATOM 398 NE ARG 27 23.320 26.867 15.807 -0.3500 1.5000 ATOM 399 CZ ARG 27 22.938 27.723 16.767 0.3500 1.7000 ATOM 400 NH1 ARG 27 23.060 29.039 16.648 -0.7000 1.5000 ATOM 401 NH2 ARG 27 22.378 27.247 17.880 -0.7000 1.5000 ATOM 402 HG1 ARG 27 25.819 27.376 13.672 0.0000 0.0000 ATOM 403 HA ARG 27 27.971 26.454 15.531 0.0000 0.0000 ATOM 404 HE ARG 27 23.183 25.884 15.981 0.4500 1.0000 ATOM 405 HG2 ARG 27 25.770 27.966 15.194 0.0000 0.0000 ATOM 406 HH22 ARG 27 22.109 27.874 18.605 0.4000 1.0000 ATOM 407 HH21 ARG 27 22.230 26.264 17.982 0.4000 1.0000 ATOM 408 HN ARG 27 27.422 24.915 13.194 0.4000 1.0000 ATOM 409 HD1 ARG 27 23.650 26.628 13.818 0.0000 0.0000 ATOM 410 HD2 ARG 27 23.661 28.188 14.304 0.0000 0.0000 ATOM 411 HH12 ARG 27 22.784 29.638 17.385 0.4000 1.0000 ATOM 412 HH11 ARG 27 23.435 29.427 15.800 0.4000 1.0000 ATOM 413 HB1 ARG 27 25.552 25.752 16.043 0.0000 0.0000 ATOM 414 HB2 ARG 27 25.602 25.163 14.521 0.0000 0.0000 ATOM 415 N ARG 28 28.320 25.001 17.448 -0.4000 1.5000 ATOM 416 CA ARG 28 28.568 24.134 18.577 -0.0000 2.0000 ATOM 417 C ARG 28 27.251 23.681 19.214 0.5500 1.7000 ATOM 418 O ARG 28 27.155 22.556 19.696 -0.5500 1.4000 ATOM 419 CB ARG 28 29.360 24.856 19.646 0.0000 2.0000 ATOM 420 CG ARG 28 29.916 23.998 20.802 0.0000 2.0000 ATOM 421 CD ARG 28 30.900 24.670 21.743 0.3500 2.0000 ATOM 422 NE ARG 28 32.114 25.112 21.041 -0.3500 1.5000 ATOM 423 CZ ARG 28 33.154 24.329 20.685 0.3500 1.7000 ATOM 424 NH1 ARG 28 33.202 22.996 20.951 -0.7000 1.5000 ATOM 425 NH2 ARG 28 34.224 24.904 20.088 -0.7000 1.5000 ATOM 426 HG1 ARG 28 30.370 23.179 20.404 0.0000 0.0000 ATOM 427 HA ARG 28 29.065 23.315 18.266 0.0000 0.0000 ATOM 428 HE ARG 28 32.181 26.095 20.800 0.4500 1.0000 ATOM 429 HG2 ARG 28 29.132 23.658 21.355 0.0000 0.0000 ATOM 430 HH22 ARG 28 34.997 24.337 19.842 0.4000 1.0000 ATOM 431 HH21 ARG 28 34.217 25.880 19.906 0.4000 1.0000 ATOM 432 HN ARG 28 28.606 26.004 17.419 0.4000 1.0000 ATOM 433 HD1 ARG 28 31.153 24.016 22.449 0.0000 0.0000 ATOM 434 HD2 ARG 28 30.454 25.461 22.149 0.0000 0.0000 ATOM 435 HH12 ARG 28 33.983 22.479 20.690 0.4000 1.0000 ATOM 436 HH11 ARG 28 32.422 22.575 21.413 0.4000 1.0000 ATOM 437 HB1 ARG 28 28.775 25.563 20.061 0.0000 0.0000 ATOM 438 HB2 ARG 28 30.147 25.312 19.213 0.0000 0.0000 ATOM 439 N HID 29 26.233 24.528 19.268 -0.4000 1.5000 ATOM 440 CA HID 29 24.981 24.221 19.961 -0.0000 2.0000 ATOM 441 C HID 29 23.882 23.906 18.957 0.5500 1.7000 ATOM 442 O HID 29 23.903 24.446 17.842 -0.5500 1.4000 ATOM 443 CB HID 29 24.635 25.417 20.826 0.1250 2.0000 ATOM 444 CG HID 29 25.736 25.621 21.859 -0.1250 1.7000 ATOM 445 HN HID 29 26.398 25.436 18.774 0.4000 1.0000 ATOM 446 HA HID 29 25.128 23.410 20.535 0.0000 0.0000 ATOM 447 HB1 HID 29 23.793 25.251 21.312 0.0000 0.0000 ATOM 448 HB2 HID 29 24.585 26.232 20.274 0.0000 0.0000 ATOM 449 CD2 HID 29 26.676 26.621 21.756 0.1550 1.7000 ATOM 450 HD1 HID 29 25.527 24.138 23.329 0.4000 1.0000 ATOM 451 HE1 HID 29 27.519 25.175 24.377 0.1250 1.0000 ATOM 452 CE1 HID 29 27.083 25.477 23.534 0.1550 1.7000 ATOM 453 ND1 HID 29 26.021 24.930 22.973 -0.4000 1.5000 ATOM 454 NE2 HID 29 27.464 26.491 22.787 -0.5600 1.5000 ATOM 455 HD2 HID 29 26.705 27.293 21.015 0.1250 1.0000 ATOM 456 N PRO 30 22.930 23.005 19.239 -0.5600 1.5000 ATOM 457 CA PRO 30 21.913 22.630 18.280 0.2800 2.0000 ATOM 458 C PRO 30 21.114 23.844 17.863 0.5500 1.7000 ATOM 459 O PRO 30 20.931 24.735 18.697 -0.5500 1.4000 ATOM 460 CB PRO 30 21.042 21.564 18.962 0.0000 2.0000 ATOM 461 CG PRO 30 21.962 21.028 20.046 0.0000 2.0000 ATOM 462 CD PRO 30 22.788 22.243 20.486 0.2800 2.0000 ATOM 463 HG2 PRO 30 21.430 20.672 20.808 0.0000 0.0000 ATOM 464 HA PRO 30 22.320 22.176 17.479 0.0000 0.0000 ATOM 465 HD1 PRO 30 23.675 21.957 20.836 0.0000 0.0000 ATOM 466 HD2 PRO 30 22.300 22.769 21.175 0.0000 0.0000 ATOM 467 HG1 PRO 30 22.554 20.317 19.678 0.0000 0.0000 ATOM 468 HB1 PRO 30 20.797 20.844 18.326 0.0000 0.0000 ATOM 469 HB2 PRO 30 20.232 21.971 19.364 0.0000 0.0000 ATOM 470 N PRO 31 20.640 23.905 16.612 -0.5600 1.5000 ATOM 471 CA PRO 31 20.942 22.973 15.518 0.2800 2.0000 ATOM 472 C PRO 31 22.391 23.092 15.044 0.5500 1.7000 ATOM 473 O PRO 31 22.830 24.197 14.687 -0.5500 1.4000 ATOM 474 CB PRO 31 19.959 23.353 14.466 0.0000 2.0000 ATOM 475 CG PRO 31 19.828 24.848 14.632 0.0000 2.0000 ATOM 476 CD PRO 31 19.821 25.015 16.138 0.2800 2.0000 ATOM 477 HG2 PRO 31 20.605 25.311 14.227 0.0000 0.0000 ATOM 478 HA PRO 31 20.735 22.023 15.793 0.0000 0.0000 ATOM 479 HD1 PRO 31 18.888 24.956 16.501 0.0000 0.0000 ATOM 480 HD2 PRO 31 20.220 25.895 16.403 0.0000 0.0000 ATOM 481 HG1 PRO 31 18.978 25.167 14.235 0.0000 0.0000 ATOM 482 HB1 PRO 31 19.070 22.914 14.605 0.0000 0.0000 ATOM 483 HB2 PRO 31 20.292 23.139 13.545 0.0000 0.0000 ATOM 484 N LYS 32 23.131 21.983 14.993 -0.4000 1.5000 ATOM 485 CA LYS 32 24.559 22.046 14.674 -0.0000 2.0000 ATOM 486 C LYS 32 24.785 22.140 13.167 0.5500 1.7000 ATOM 487 O LYS 32 25.322 21.230 12.533 -0.5500 1.4000 ATOM 488 CB LYS 32 25.270 20.802 15.266 0.0000 2.0000 ATOM 489 CG LYS 32 25.263 20.798 16.781 0.0000 2.0000 ATOM 490 CD LYS 32 26.042 19.604 17.350 0.0000 2.0000 ATOM 491 CE LYS 32 26.032 19.680 18.871 0.3300 2.0000 ATOM 492 NZ LYS 32 26.932 18.693 19.489 -0.3200 2.0000 ATOM 493 HA LYS 32 24.953 22.864 15.111 0.0000 0.0000 ATOM 494 HE2 LYS 32 26.310 20.609 19.147 0.0000 0.0000 ATOM 495 HE1 LYS 32 25.089 19.525 19.193 0.0000 0.0000 ATOM 496 HG2 LYS 32 25.686 21.640 17.118 0.0000 0.0000 ATOM 497 HG1 LYS 32 24.320 20.745 17.110 0.0000 0.0000 ATOM 498 HZ1 LYS 32 27.843 19.093 19.610 0.3300 0.0000 ATOM 499 HZ3 LYS 32 26.572 18.418 20.383 0.3300 0.0000 ATOM 500 HZ2 LYS 32 27.004 17.884 18.901 0.3300 0.0000 ATOM 501 HD1 LYS 32 26.972 19.653 17.034 0.0000 0.0000 ATOM 502 HD2 LYS 32 25.596 18.774 17.069 0.0000 0.0000 ATOM 503 HN LYS 32 22.625 21.107 15.191 0.4000 1.0000 ATOM 504 HB1 LYS 32 26.208 20.812 14.948 0.0000 0.0000 ATOM 505 HB2 LYS 32 24.792 19.999 14.940 0.0000 0.0000 ATOM 506 N MET 33 24.354 23.209 12.519 -0.4000 1.5000 ATOM 507 CA MET 33 24.526 23.368 11.086 -0.0000 2.0000 ATOM 508 C MET 33 25.987 23.627 10.692 0.5500 1.7000 ATOM 509 O MET 33 26.760 24.297 11.392 -0.5500 1.4000 ATOM 510 CB MET 33 23.590 24.500 10.615 0.0000 2.0000 ATOM 511 CG MET 33 23.602 25.904 11.250 0.2650 2.0000 ATOM 512 SD MET 33 22.000 26.814 11.296 -0.5300 1.8500 ATOM 513 CE MET 33 20.839 25.518 11.013 0.2650 2.0000 ATOM 514 HG2 MET 33 23.987 25.816 12.212 0.0000 0.0000 ATOM 515 HE1 MET 33 20.078 25.848 10.444 0.0000 0.0000 ATOM 516 HE2 MET 33 21.282 24.748 10.540 0.0000 0.0000 ATOM 517 HE3 MET 33 20.466 25.186 11.886 0.0000 0.0000 ATOM 518 HB2 MET 33 23.732 24.628 9.588 0.0000 0.0000 ATOM 519 HG1 MET 33 24.319 26.473 10.755 0.0000 0.0000 ATOM 520 HN MET 33 23.884 23.922 13.121 0.4000 1.0000 ATOM 521 HA MET 33 24.236 22.511 10.632 0.0000 0.0000 ATOM 522 HB1 MET 33 22.608 24.148 10.670 0.0000 0.0000 ATOM 523 N VAL 34 26.378 23.042 9.557 -0.4000 1.5000 ATOM 524 CA VAL 34 27.724 23.196 9.040 -0.0000 2.0000 ATOM 525 C VAL 34 27.815 24.624 8.475 0.5500 1.7000 ATOM 526 O VAL 34 26.916 25.134 7.800 -0.5500 1.4000 ATOM 527 CB VAL 34 28.004 22.141 7.938 0.0000 2.0000 ATOM 528 CG1 VAL 34 29.398 22.389 7.353 0.0000 2.0000 ATOM 529 CG2 VAL 34 27.880 20.727 8.536 0.0000 2.0000 ATOM 530 HA VAL 34 28.365 23.130 9.791 0.0000 0.0000 ATOM 531 HG11 VAL 34 29.883 21.519 7.277 0.0000 0.0000 ATOM 532 HG21 VAL 34 26.922 20.453 8.516 0.0000 0.0000 ATOM 533 HB VAL 34 27.355 22.290 7.210 0.0000 0.0000 ATOM 534 HG12 VAL 34 29.307 22.803 6.449 0.0000 0.0000 ATOM 535 HG13 VAL 34 29.903 23.004 7.955 0.0000 0.0000 ATOM 536 HN VAL 34 25.640 22.477 9.089 0.4000 1.0000 ATOM 537 HG23 VAL 34 28.428 20.098 7.990 0.0000 0.0000 ATOM 538 HG22 VAL 34 28.213 20.746 9.475 0.0000 0.0000 ATOM 539 N LEU 35 28.863 25.335 8.837 -0.4000 1.5000 ATOM 540 CA LEU 35 29.038 26.730 8.429 -0.0000 2.0000 ATOM 541 C LEU 35 30.176 26.839 7.444 0.5500 1.7000 ATOM 542 O LEU 35 30.336 27.902 6.849 -0.5500 1.4000 ATOM 543 CB LEU 35 29.327 27.626 9.661 0.0000 2.0000 ATOM 544 CG LEU 35 28.192 27.674 10.722 0.0000 2.0000 ATOM 545 CD1 LEU 35 28.625 28.545 11.874 0.0000 2.0000 ATOM 546 CD2 LEU 35 26.896 28.176 10.110 0.0000 2.0000 ATOM 547 HD22 LEU 35 26.615 27.565 9.369 0.0000 0.0000 ATOM 548 HD23 LEU 35 26.180 28.199 10.809 0.0000 0.0000 ATOM 549 HD21 LEU 35 27.031 29.098 9.745 0.0000 0.0000 ATOM 550 HN LEU 35 29.554 24.830 9.433 0.4000 1.0000 ATOM 551 HD13 LEU 35 28.814 29.474 11.548 0.0000 0.0000 ATOM 552 HD12 LEU 35 27.899 28.583 12.565 0.0000 0.0000 ATOM 553 HD11 LEU 35 29.456 28.170 12.293 0.0000 0.0000 ATOM 554 HA LEU 35 28.192 27.037 7.984 0.0000 0.0000 ATOM 555 HG LEU 35 28.022 26.747 11.036 0.0000 0.0000 ATOM 556 HB1 LEU 35 29.465 28.548 9.339 0.0000 0.0000 ATOM 557 HB2 LEU 35 30.131 27.272 10.111 0.0000 0.0000 ATOM 558 N GLY 36 31.025 25.816 7.238 -0.4000 1.5000 ATOM 559 CA GLY 36 32.086 25.960 6.246 -0.0000 2.0000 ATOM 560 C GLY 36 33.000 24.764 6.335 0.5500 1.7000 ATOM 561 O GLY 36 33.051 24.081 7.363 -0.5500 1.4000 ATOM 562 HN GLY 36 30.864 24.986 7.806 0.4000 1.0000 ATOM 563 HA2 GLY 36 31.683 26.012 5.333 0.0000 0.0000 ATOM 564 HA1 GLY 36 32.602 26.796 6.430 0.0000 0.0000 ATOM 565 N ARG 37 33.761 24.532 5.289 -0.4000 1.5000 ATOM 566 CA ARG 37 34.719 23.436 5.250 -0.0000 2.0000 ATOM 567 C ARG 37 35.876 23.981 4.419 0.5500 1.7000 ATOM 568 O ARG 37 35.611 24.823 3.541 -0.5500 1.4000 ATOM 569 CB ARG 37 34.130 22.227 4.555 0.0000 2.0000 ATOM 570 CG ARG 37 33.056 21.471 5.311 0.0000 2.0000 ATOM 571 CD ARG 37 32.729 20.190 4.542 0.3500 2.0000 ATOM 572 NE ARG 37 31.797 19.361 5.278 -0.3500 1.5000 ATOM 573 CZ ARG 37 30.462 19.458 5.075 0.3500 1.7000 ATOM 574 NH1 ARG 37 29.914 20.336 4.196 -0.7000 1.5000 ATOM 575 NH2 ARG 37 29.650 18.645 5.745 -0.7000 1.5000 ATOM 576 HG1 ARG 37 32.236 22.013 5.362 0.0000 0.0000 ATOM 577 HA ARG 37 35.040 23.251 6.159 0.0000 0.0000 ATOM 578 HE ARG 37 32.126 18.713 5.939 0.4500 1.0000 ATOM 579 HG2 ARG 37 33.388 21.216 6.202 0.0000 0.0000 ATOM 580 HH22 ARG 37 28.664 18.722 5.616 0.4000 1.0000 ATOM 581 HH21 ARG 37 30.026 17.964 6.370 0.4000 1.0000 ATOM 582 HN ARG 37 33.624 25.194 4.491 0.4000 1.0000 ATOM 583 HD1 ARG 37 33.581 19.697 4.401 0.0000 0.0000 ATOM 584 HD2 ARG 37 32.331 20.454 3.671 0.0000 0.0000 ATOM 585 HH12 ARG 37 28.947 20.381 4.099 0.4000 1.0000 ATOM 586 HH11 ARG 37 30.524 20.921 3.663 0.4000 1.0000 ATOM 587 HB1 ARG 37 34.877 21.580 4.356 0.0000 0.0000 ATOM 588 HB2 ARG 37 33.734 22.527 3.678 0.0000 0.0000 ATOM 589 N GLY 38 37.147 23.617 4.649 -0.4000 1.5000 ATOM 590 CA GLY 38 38.217 24.097 3.780 -0.0000 2.0000 ATOM 591 C GLY 38 39.583 23.617 4.283 0.5500 1.7000 ATOM 592 O GLY 38 39.663 22.654 5.061 -0.5500 1.4000 ATOM 593 HN GLY 38 37.287 22.999 5.456 0.4000 1.0000 ATOM 594 HA2 GLY 38 38.072 23.756 2.846 0.0000 0.0000 ATOM 595 HA1 GLY 38 38.209 25.102 3.758 0.0000 0.0000 ATOM 596 N CSS 39 40.667 24.314 3.943 -0.4000 1.5000 ATOM 597 CA CSS 39 42.029 23.921 4.332 -0.0000 2.0000 ATOM 598 C CSS 39 42.394 24.698 5.591 0.5500 1.7000 ATOM 599 O CSS 39 42.029 25.878 5.698 -0.5500 1.4000 ATOM 600 CB CSS 39 43.097 24.310 3.298 0.2900 2.0000 ATOM 601 SG CSS 39 42.663 23.603 1.692 -0.2900 1.8500 ATOM 602 HB1 CSS 39 43.952 23.933 3.581 0.0000 0.0000 ATOM 603 HN CSS 39 40.468 25.168 3.373 0.4000 1.0000 ATOM 604 HA CSS 39 42.022 22.953 4.552 0.0000 0.0000 ATOM 605 HB2 CSS 39 43.108 25.282 3.216 0.0000 0.0000 ATOM 606 N GLY 40 43.126 24.061 6.472 -0.4000 1.5000 ATOM 607 CA GLY 40 43.629 24.719 7.675 -0.0000 2.0000 ATOM 608 C GLY 40 42.855 24.234 8.889 0.5500 1.7000 ATOM 609 O GLY 40 42.227 23.175 8.884 -0.5500 1.4000 ATOM 610 HN GLY 40 43.319 23.062 6.251 0.4000 1.0000 ATOM 611 HA2 GLY 40 44.601 24.506 7.791 0.0000 0.0000 ATOM 612 HA1 GLY 40 43.521 25.711 7.583 0.0000 0.0000 ATOM 613 N CSS 41 42.928 24.997 9.970 -0.4000 1.5000 ATOM 614 CA CSS 41 42.296 24.610 11.219 -0.0000 2.0000 ATOM 615 C CSS 41 42.065 25.880 12.056 0.5500 1.7000 ATOM 616 O CSS 41 42.802 26.154 13.033 -0.5500 1.4000 ATOM 617 CB CSS 41 43.224 23.595 11.953 0.2900 2.0000 ATOM 618 SG CSS 41 42.446 22.935 13.453 -0.2900 1.8500 ATOM 619 HB1 CSS 41 44.046 24.072 12.208 0.0000 0.0000 ATOM 620 HN CSS 41 43.466 25.878 9.847 0.4000 1.0000 ATOM 621 HA CSS 41 41.406 24.212 11.020 0.0000 0.0000 ATOM 622 HB2 CSS 41 43.401 22.851 11.336 0.0000 0.0000 ATOM 623 N PRO 42 41.075 26.712 11.694 -0.5600 1.5000 ATOM 624 CA PRO 42 40.756 27.950 12.392 0.2800 2.0000 ATOM 625 C PRO 42 40.315 27.675 13.838 0.5500 1.7000 ATOM 626 O PRO 42 39.912 26.549 14.161 -0.5500 1.4000 ATOM 627 CB PRO 42 39.690 28.590 11.534 0.0000 2.0000 ATOM 628 CG PRO 42 38.938 27.407 10.999 0.0000 2.0000 ATOM 629 CD PRO 42 40.082 26.455 10.651 0.2800 2.0000 ATOM 630 HG2 PRO 42 38.358 27.013 11.692 0.0000 0.0000 ATOM 631 HA PRO 42 41.537 28.586 12.380 0.0000 0.0000 ATOM 632 HD1 PRO 42 40.450 26.661 9.743 0.0000 0.0000 ATOM 633 HD2 PRO 42 39.771 25.505 10.675 0.0000 0.0000 ATOM 634 HG1 PRO 42 38.430 27.648 10.190 0.0000 0.0000 ATOM 635 HB1 PRO 42 40.091 29.118 10.789 0.0000 0.0000 ATOM 636 HB2 PRO 42 39.088 29.173 12.076 0.0000 0.0000 ATOM 637 N PRO 43 40.420 28.641 14.755 -0.5600 1.5000 ATOM 638 CA PRO 43 39.969 28.506 16.132 0.2800 2.0000 ATOM 639 C PRO 43 38.453 28.509 16.319 0.5500 1.7000 ATOM 640 O PRO 43 37.737 29.298 15.679 -0.5500 1.4000 ATOM 641 CB PRO 43 40.669 29.672 16.841 0.0000 2.0000 ATOM 642 CG PRO 43 40.679 30.743 15.755 0.0000 2.0000 ATOM 643 CD PRO 43 41.133 29.904 14.552 0.2800 2.0000 ATOM 644 HG2 PRO 43 39.778 31.095 15.613 0.0000 0.0000 ATOM 645 HA PRO 43 40.375 27.667 16.561 0.0000 0.0000 ATOM 646 HD1 PRO 43 42.120 29.770 14.571 0.0000 0.0000 ATOM 647 HD2 PRO 43 40.862 30.339 13.700 0.0000 0.0000 ATOM 648 HG1 PRO 43 41.336 31.435 15.964 0.0000 0.0000 ATOM 649 HB1 PRO 43 41.593 29.433 17.097 0.0000 0.0000 ATOM 650 HB2 PRO 43 40.148 29.980 17.623 0.0000 0.0000 ATOM 651 N GLY 44 37.983 27.587 17.183 -0.4000 1.5000 ATOM 652 CA GLY 44 36.599 27.594 17.605 -0.0000 2.0000 ATOM 653 C GLY 44 36.470 28.504 18.823 0.5500 1.7000 ATOM 654 O GLY 44 37.461 29.064 19.327 -0.5500 1.4000 ATOM 655 HN GLY 44 38.689 26.901 17.500 0.4000 1.0000 ATOM 656 HA2 GLY 44 36.019 27.943 16.872 0.0000 0.0000 ATOM 657 HA1 GLY 44 36.312 26.671 17.853 0.0000 0.0000 ATOM 658 N ASP 45 35.249 28.620 19.318 -0.4000 1.5000 ATOM 659 CA ASP 45 34.932 29.339 20.547 -0.0000 2.0000 ATOM 660 C ASP 45 33.614 28.764 21.075 0.5500 1.7000 ATOM 661 O ASP 45 33.224 27.668 20.706 -0.5500 1.4000 ATOM 662 CB ASP 45 34.811 30.862 20.269 0.0000 2.0000 ATOM 663 CG ASP 45 33.995 31.265 19.057 0.1000 1.7000 ATOM 664 OD1 ASP 45 32.942 30.690 18.821 -0.5500 1.4000 ATOM 665 OD2 ASP 45 34.397 32.195 18.356 -0.5500 1.4000 ATOM 666 HN ASP 45 34.507 28.140 18.740 0.4000 1.0000 ATOM 667 HA ASP 45 35.632 29.116 21.213 0.0000 0.0000 ATOM 668 HB1 ASP 45 35.747 31.219 20.165 0.0000 0.0000 ATOM 669 HB2 ASP 45 34.403 31.281 21.090 0.0000 0.0000 ATOM 670 N ASP 46 32.850 29.487 21.881 -0.4000 1.5000 ATOM 671 CA ASP 46 31.578 28.996 22.402 -0.0000 2.0000 ATOM 672 C ASP 46 30.498 28.787 21.351 0.5500 1.7000 ATOM 673 O ASP 46 29.583 27.975 21.521 -0.5500 1.4000 ATOM 674 CB ASP 46 31.078 29.989 23.459 0.0000 2.0000 ATOM 675 CG ASP 46 30.819 31.378 22.886 0.1000 1.7000 ATOM 676 OD1 ASP 46 31.776 32.103 22.615 -0.5500 1.4000 ATOM 677 OD2 ASP 46 29.654 31.719 22.677 -0.5500 1.4000 ATOM 678 HN ASP 46 33.232 30.431 22.111 0.4000 1.0000 ATOM 679 HA ASP 46 31.762 28.084 22.825 0.0000 0.0000 ATOM 680 HB1 ASP 46 31.770 30.061 24.165 0.0000 0.0000 ATOM 681 HB2 ASP 46 30.229 29.637 23.834 0.0000 0.0000 ATOM 682 N TYR 47 30.541 29.618 20.314 -0.4000 1.5000 ATOM 683 CA TYR 47 29.577 29.510 19.230 -0.0000 2.0000 ATOM 684 C TYR 47 30.009 28.482 18.179 0.5500 1.7000 ATOM 685 O TYR 47 29.182 27.688 17.704 -0.5500 1.4000 ATOM 686 CB TYR 47 29.391 30.866 18.520 0.1250 2.0000 ATOM 687 CG TYR 47 28.231 30.807 17.510 -0.1250 1.7000 ATOM 688 CD1 TYR 47 26.915 30.895 17.980 -0.1250 1.7000 ATOM 689 CD2 TYR 47 28.466 30.672 16.149 -0.1250 1.7000 ATOM 690 CE1 TYR 47 25.853 30.856 17.098 -0.1250 1.7000 ATOM 691 CE2 TYR 47 27.388 30.632 15.255 -0.1250 1.7000 ATOM 692 CZ TYR 47 26.094 30.730 15.740 0.0550 1.7000 ATOM 693 OH TYR 47 24.996 30.688 14.877 -0.4900 1.4000 ATOM 694 HA TYR 47 28.694 29.205 19.616 0.0000 0.0000 ATOM 695 HE1 TYR 47 24.911 30.920 17.436 0.1250 1.0000 ATOM 696 HE2 TYR 47 27.556 30.533 14.277 0.1250 1.0000 ATOM 697 HN TYR 47 31.296 30.323 20.347 0.4000 1.0000 ATOM 698 HD2 TYR 47 29.390 30.605 15.803 0.1250 1.0000 ATOM 699 HD1 TYR 47 26.749 30.986 18.959 0.1250 1.0000 ATOM 700 HB1 TYR 47 30.212 31.076 18.025 0.0000 0.0000 ATOM 701 HB2 TYR 47 29.172 31.545 19.193 0.0000 0.0000 ATOM 702 HH TYR 47 25.320 30.820 13.945 0.4350 1.0000 ATOM 703 N LEU 48 31.298 28.475 17.829 -0.4000 1.5000 ATOM 704 CA LEU 48 31.751 27.729 16.678 -0.0000 2.0000 ATOM 705 C LEU 48 32.625 26.531 17.045 0.5500 1.7000 ATOM 706 O LEU 48 33.633 26.697 17.768 -0.5500 1.4000 ATOM 707 CB LEU 48 32.505 28.716 15.833 0.0000 2.0000 ATOM 708 CG LEU 48 33.033 28.211 14.539 0.0000 2.0000 ATOM 709 CD1 LEU 48 31.889 28.190 13.514 0.0000 2.0000 ATOM 710 CD2 LEU 48 34.169 29.140 14.071 0.0000 2.0000 ATOM 711 HD22 LEU 48 34.892 29.142 14.757 0.0000 0.0000 ATOM 712 HD23 LEU 48 34.527 28.805 13.203 0.0000 0.0000 ATOM 713 HD21 LEU 48 33.809 30.063 13.956 0.0000 0.0000 ATOM 714 HN LEU 48 31.916 29.036 18.441 0.4000 1.0000 ATOM 715 HD13 LEU 48 31.534 29.116 13.400 0.0000 0.0000 ATOM 716 HD12 LEU 48 32.237 27.852 12.642 0.0000 0.0000 ATOM 717 HD11 LEU 48 31.164 27.589 13.845 0.0000 0.0000 ATOM 718 HA LEU 48 30.940 27.381 16.173 0.0000 0.0000 ATOM 719 HG LEU 48 33.380 27.284 14.643 0.0000 0.0000 ATOM 720 HB1 LEU 48 33.280 29.053 16.374 0.0000 0.0000 ATOM 721 HB2 LEU 48 31.888 29.485 15.636 0.0000 0.0000 ATOM 722 N GLU 49 32.265 25.354 16.524 -0.4000 1.5000 ATOM 723 CA GLU 49 33.000 24.127 16.737 -0.0000 2.0000 ATOM 724 C GLU 49 33.850 23.896 15.486 0.5500 1.7000 ATOM 725 O GLU 49 33.323 24.036 14.374 -0.5500 1.4000 ATOM 726 CB GLU 49 31.993 22.994 16.967 0.0000 2.0000 ATOM 727 CG GLU 49 32.636 21.621 17.036 -0.0000 2.0000 ATOM 728 CD GLU 49 31.834 20.579 17.833 0.1000 1.7000 ATOM 729 OE1 GLU 49 30.606 20.551 17.757 -0.5500 1.4000 ATOM 730 OE2 GLU 49 32.452 19.808 18.566 -0.5500 1.4000 ATOM 731 HG2 GLU 49 32.729 21.270 16.117 0.0000 0.0000 ATOM 732 HA GLU 49 33.593 24.211 17.527 0.0000 0.0000 ATOM 733 HG1 GLU 49 33.516 21.706 17.479 0.0000 0.0000 ATOM 734 HN GLU 49 31.390 25.405 15.940 0.4000 1.0000 ATOM 735 HB1 GLU 49 31.366 22.995 16.212 0.0000 0.0000 ATOM 736 HB2 GLU 49 31.549 23.161 17.826 0.0000 0.0000 ATOM 737 N VAL 50 35.135 23.559 15.589 -0.4000 1.5000 ATOM 738 CA VAL 50 35.978 23.385 14.383 -0.0000 2.0000 ATOM 739 C VAL 50 36.690 22.033 14.564 0.5500 1.7000 ATOM 740 O VAL 50 37.413 21.829 15.552 -0.5500 1.4000 ATOM 741 CB VAL 50 37.028 24.508 14.259 0.0000 2.0000 ATOM 742 CG1 VAL 50 37.821 24.287 12.950 0.0000 2.0000 ATOM 743 CG2 VAL 50 36.372 25.878 14.196 0.0000 2.0000 ATOM 744 HA VAL 50 35.384 23.316 13.603 0.0000 0.0000 ATOM 745 HG11 VAL 50 38.757 24.599 13.084 0.0000 0.0000 ATOM 746 HG21 VAL 50 36.656 26.342 13.357 0.0000 0.0000 ATOM 747 HB VAL 50 37.672 24.408 14.996 0.0000 0.0000 ATOM 748 HG12 VAL 50 37.812 23.316 12.728 0.0000 0.0000 ATOM 749 HG13 VAL 50 37.389 24.808 12.220 0.0000 0.0000 ATOM 750 HN VAL 50 35.487 23.432 16.548 0.4000 1.0000 ATOM 751 HG23 VAL 50 35.378 25.769 14.200 0.0000 0.0000 ATOM 752 HG22 VAL 50 36.654 26.417 14.990 0.0000 0.0000 ATOM 753 N LYS 51 36.383 21.078 13.710 -0.4000 1.5000 ATOM 754 CA LYS 51 37.058 19.795 13.748 -0.0000 2.0000 ATOM 755 C LYS 51 38.117 19.852 12.655 0.5500 1.7000 ATOM 756 O LYS 51 37.862 20.414 11.559 -0.5500 1.4000 ATOM 757 CB LYS 51 36.070 18.671 13.450 0.0000 2.0000 ATOM 758 CG LYS 51 34.832 18.601 14.298 0.0000 2.0000 ATOM 759 CD LYS 51 35.365 18.280 15.666 0.0000 2.0000 ATOM 760 CE LYS 51 34.293 18.078 16.734 0.3300 2.0000 ATOM 761 NZ LYS 51 33.482 16.901 16.462 -0.3200 2.0000 ATOM 762 HA LYS 51 37.507 19.684 14.622 0.0000 0.0000 ATOM 763 HE2 LYS 51 34.751 17.985 17.625 0.0000 0.0000 ATOM 764 HE1 LYS 51 33.713 18.900 16.757 0.0000 0.0000 ATOM 765 HG2 LYS 51 34.396 19.470 14.315 0.0000 0.0000 ATOM 766 HG1 LYS 51 34.264 17.875 13.992 0.0000 0.0000 ATOM 767 HZ1 LYS 51 32.755 16.812 17.151 0.3300 0.0000 ATOM 768 HZ3 LYS 51 33.057 16.973 15.554 0.3300 0.0000 ATOM 769 HZ2 LYS 51 34.051 16.073 16.486 0.3300 0.0000 ATOM 770 HD1 LYS 51 35.968 19.029 15.971 0.0000 0.0000 ATOM 771 HD2 LYS 51 35.916 17.436 15.617 0.0000 0.0000 ATOM 772 HN LYS 51 35.639 21.316 13.028 0.4000 1.0000 ATOM 773 HB1 LYS 51 36.569 17.792 13.538 0.0000 0.0000 ATOM 774 HB2 LYS 51 35.788 18.758 12.479 0.0000 0.0000 ATOM 775 N CSS 52 39.293 19.275 12.893 -0.4000 1.5000 ATOM 776 CA CSS 52 40.389 19.322 11.932 -0.0000 2.0000 ATOM 777 C CSS 52 40.941 17.911 11.804 0.5500 1.7000 ATOM 778 O CSS 52 41.056 17.195 12.804 -0.5500 1.4000 ATOM 779 CB CSS 52 41.484 20.268 12.394 0.2900 2.0000 ATOM 780 SG CSS 52 40.865 21.958 12.689 -0.2900 1.8500 ATOM 781 HB1 CSS 52 42.179 20.319 11.691 0.0000 0.0000 ATOM 782 HN CSS 52 39.360 18.793 13.814 0.4000 1.0000 ATOM 783 HA CSS 52 40.023 19.596 11.050 0.0000 0.0000 ATOM 784 HB2 CSS 52 41.860 19.931 13.244 0.0000 0.0000 ATOM 785 N CSS 53 41.184 17.437 10.576 -0.4000 1.5000 ATOM 786 CA CSS 53 41.650 16.075 10.340 -0.0000 2.0000 ATOM 787 C CSS 53 42.667 16.074 9.223 0.5500 1.7000 ATOM 788 O CSS 53 42.683 16.992 8.370 -0.5500 1.4000 ATOM 789 CB CSS 53 40.450 15.201 9.977 0.2900 2.0000 ATOM 790 SG CSS 53 39.525 15.851 8.552 -0.2900 1.8500 ATOM 791 HB1 CSS 53 39.837 15.172 10.753 0.0000 0.0000 ATOM 792 HN CSS 53 41.011 18.124 9.811 0.4000 1.0000 ATOM 793 HA CSS 53 42.096 15.747 11.176 0.0000 0.0000 ATOM 794 HB2 CSS 53 40.778 14.298 9.744 0.0000 0.0000 ATOM 795 N THR 54 43.607 15.134 9.243 -0.4000 1.5000 ATOM 796 CA THR 54 44.645 15.150 8.231 -0.0000 2.0000 ATOM 797 C THR 54 44.524 13.921 7.352 0.5500 1.7000 ATOM 798 O THR 54 45.215 13.876 6.318 -0.5500 1.4000 ATOM 799 CB THR 54 46.053 15.237 8.914 0.0000 2.0000 ATOM 800 OG1 THR 54 46.171 14.169 9.833 -0.4900 1.4000 ATOM 801 CG2 THR 54 46.243 16.511 9.680 0.0000 2.0000 ATOM 802 HA THR 54 44.523 15.965 7.657 0.0000 0.0000 ATOM 803 HG22 THR 54 46.634 16.320 10.588 0.0000 0.0000 ATOM 804 HG21 THR 54 46.867 17.128 9.187 0.0000 0.0000 ATOM 805 HN THR 54 43.532 14.443 9.993 0.4000 1.0000 ATOM 806 HB THR 54 46.757 15.134 8.190 0.0000 0.0000 ATOM 807 HG23 THR 54 45.361 16.981 9.804 0.0000 0.0000 ATOM 808 HG1 THR 54 45.793 14.426 10.733 0.4900 1.0000 ATOM 809 N SER 55 43.749 12.908 7.732 -0.4000 1.5000 ATOM 810 CA SER 55 43.468 11.805 6.843 -0.0000 2.0000 ATOM 811 C SER 55 42.202 11.092 7.333 0.5500 1.7000 ATOM 812 O SER 55 41.769 11.388 8.462 -0.5500 1.4000 ATOM 813 CB SER 55 44.637 10.806 6.808 0.0000 2.0000 ATOM 814 OG SER 55 44.902 10.414 8.127 -0.4900 1.4000 ATOM 815 HN SER 55 43.378 12.985 8.698 0.4000 1.0000 ATOM 816 HA SER 55 43.276 12.167 5.933 0.0000 0.0000 ATOM 817 HB1 SER 55 45.423 11.260 6.430 0.0000 0.0000 ATOM 818 HB2 SER 55 44.365 10.026 6.275 0.0000 0.0000 ATOM 819 HG SER 55 45.779 10.795 8.426 0.4900 1.0000 ATOM 820 N PRO 56 41.578 10.182 6.551 -0.5600 1.5000 ATOM 821 CA PRO 56 41.846 10.026 5.125 0.2800 2.0000 ATOM 822 C PRO 56 41.371 11.221 4.298 0.5500 1.7000 ATOM 823 O PRO 56 41.011 12.275 4.859 -0.5500 1.4000 ATOM 824 CB PRO 56 41.179 8.715 4.772 0.0000 2.0000 ATOM 825 CG PRO 56 40.010 8.695 5.714 0.0000 2.0000 ATOM 826 CD PRO 56 40.484 9.321 7.011 0.2800 2.0000 ATOM 827 HG2 PRO 56 39.239 9.218 5.329 0.0000 0.0000 ATOM 828 HA PRO 56 42.833 9.853 4.962 0.0000 0.0000 ATOM 829 HD1 PRO 56 40.817 8.628 7.644 0.0000 0.0000 ATOM 830 HD2 PRO 56 39.762 9.857 7.435 0.0000 0.0000 ATOM 831 HG1 PRO 56 39.700 7.748 5.870 0.0000 0.0000 ATOM 832 HB1 PRO 56 41.781 7.943 4.943 0.0000 0.0000 ATOM 833 HB2 PRO 56 40.868 8.709 3.827 0.0000 0.0000 ATOM 834 N ASP 57 41.428 11.128 2.966 -0.4000 1.5000 ATOM 835 CA ASP 57 40.933 12.225 2.141 -0.0000 2.0000 ATOM 836 C ASP 57 39.460 12.394 2.417 0.5500 1.7000 ATOM 837 O ASP 57 38.785 11.437 2.769 -0.5500 1.4000 ATOM 838 CB ASP 57 41.098 11.962 0.647 0.0000 2.0000 ATOM 83... 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