USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= -0.121 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= -0.138 USER MOD Single : A 12 THR OG1 : rot -168:sc= -0.0526 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.394 (180deg=-0.411) USER MOD Single : A 17 GLN : amide:sc= -5.73! C(o=-5.7!,f=-6.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0382 F(o=-0.65,f=-0.038) USER MOD Single : A 30 THR OG1 : rot -120:sc= 0.0284 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0346 F(o=-2.6!,f=-0.035) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.13) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.75! C(o=-1.8!,f=-3.3!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.0596 (180deg=-0.511) USER MOD Single : A 68 GLN :FLIP amide:sc= -3.25! C(o=-5.7!,f=-3.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 113:sc= 1.27 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.0469 (180deg=-0.343) USER MOD Single : A 80 SER OG : rot -37:sc= 0.604 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00716) USER MOD Single : A 88 THR OG1 : rot 48:sc= 0.0376 USER MOD Single : A 92 SER OG : rot -23:sc= 0.784 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -41:sc= 0.465 USER MOD Single : A 100 SER OG : rot 180:sc=-0.00494 USER MOD Single : A 102 LYS NZ :NH3+ -169:sc= -0.367! (180deg=-0.433!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.108 3.561 4.116 1.00 0.00 N ATOM 2 CA GLY A 1 18.493 3.117 5.487 1.00 0.00 C ATOM 3 C GLY A 1 18.127 4.137 6.550 1.00 0.00 C ATOM 4 O GLY A 1 17.283 3.874 7.418 1.00 0.00 O ATOM 0 H1 GLY A 1 18.378 2.831 3.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.080 3.711 4.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.597 4.450 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.001 2.170 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.567 2.933 5.518 1.00 0.00 H new ATOM 7 N SER A 2 18.762 5.293 6.495 1.00 0.00 N ATOM 8 CA SER A 2 18.484 6.360 7.425 1.00 0.00 C ATOM 9 C SER A 2 17.435 7.286 6.820 1.00 0.00 C ATOM 10 O SER A 2 17.736 8.085 5.928 1.00 0.00 O ATOM 11 CB SER A 2 19.774 7.127 7.754 1.00 0.00 C ATOM 12 OG SER A 2 19.577 8.055 8.810 1.00 0.00 O ATOM 0 H SER A 2 19.481 5.514 5.806 1.00 0.00 H new ATOM 0 HA SER A 2 18.097 5.947 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.557 6.421 8.031 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.121 7.655 6.865 1.00 0.00 H new ATOM 0 HG SER A 2 20.418 8.524 8.994 1.00 0.00 H new ATOM 18 N MET A 3 16.210 7.159 7.289 1.00 0.00 N ATOM 19 CA MET A 3 15.102 7.931 6.751 1.00 0.00 C ATOM 20 C MET A 3 15.056 9.316 7.370 1.00 0.00 C ATOM 21 O MET A 3 14.660 9.476 8.523 1.00 0.00 O ATOM 22 CB MET A 3 13.775 7.204 6.992 1.00 0.00 C ATOM 23 CG MET A 3 13.765 5.762 6.507 1.00 0.00 C ATOM 24 SD MET A 3 14.181 5.609 4.762 1.00 0.00 S ATOM 25 CE MET A 3 14.130 3.830 4.559 1.00 0.00 C ATOM 0 H MET A 3 15.953 6.525 8.046 1.00 0.00 H new ATOM 0 HA MET A 3 15.256 8.038 5.677 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.552 7.220 8.059 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.976 7.751 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.473 5.180 7.097 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.778 5.332 6.679 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.367 3.575 3.526 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.859 3.367 5.224 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.133 3.464 4.803 1.00 0.00 H new ATOM 35 N SER A 4 15.464 10.308 6.606 1.00 0.00 N ATOM 36 CA SER A 4 15.469 11.678 7.072 1.00 0.00 C ATOM 37 C SER A 4 14.442 12.501 6.300 1.00 0.00 C ATOM 38 O SER A 4 14.169 12.231 5.122 1.00 0.00 O ATOM 39 CB SER A 4 16.869 12.284 6.904 1.00 0.00 C ATOM 40 OG SER A 4 16.955 13.566 7.507 1.00 0.00 O ATOM 0 H SER A 4 15.799 10.188 5.650 1.00 0.00 H new ATOM 0 HA SER A 4 15.203 11.692 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.610 11.620 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.108 12.362 5.843 1.00 0.00 H new ATOM 0 HG SER A 4 17.859 13.925 7.385 1.00 0.00 H new ATOM 46 N SER A 5 13.867 13.491 6.961 1.00 0.00 N ATOM 47 CA SER A 5 12.889 14.354 6.333 1.00 0.00 C ATOM 48 C SER A 5 13.596 15.529 5.645 1.00 0.00 C ATOM 49 O SER A 5 14.826 15.540 5.527 1.00 0.00 O ATOM 50 CB SER A 5 11.882 14.853 7.372 1.00 0.00 C ATOM 51 OG SER A 5 10.796 15.536 6.757 1.00 0.00 O ATOM 0 H SER A 5 14.064 13.715 7.936 1.00 0.00 H new ATOM 0 HA SER A 5 12.344 13.789 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.503 14.009 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.382 15.520 8.074 1.00 0.00 H new ATOM 0 HG SER A 5 10.600 15.125 5.889 1.00 0.00 H new ATOM 57 N VAL A 6 12.832 16.514 5.206 1.00 0.00 N ATOM 58 CA VAL A 6 13.396 17.642 4.487 1.00 0.00 C ATOM 59 C VAL A 6 12.745 18.971 4.936 1.00 0.00 C ATOM 60 O VAL A 6 12.886 20.011 4.280 1.00 0.00 O ATOM 61 CB VAL A 6 13.221 17.435 2.954 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.785 17.687 2.512 1.00 0.00 C ATOM 63 CG2 VAL A 6 14.205 18.278 2.163 1.00 0.00 C ATOM 0 H VAL A 6 11.821 16.555 5.335 1.00 0.00 H new ATOM 0 HA VAL A 6 14.460 17.700 4.717 1.00 0.00 H new ATOM 0 HB VAL A 6 13.444 16.389 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.703 17.533 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.119 16.997 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.504 18.712 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.054 18.109 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.045 19.332 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.223 17.999 2.434 1.00 0.00 H new ATOM 73 N PHE A 7 12.062 18.933 6.074 1.00 0.00 N ATOM 74 CA PHE A 7 11.371 20.114 6.589 1.00 0.00 C ATOM 75 C PHE A 7 12.349 21.168 7.095 1.00 0.00 C ATOM 76 O PHE A 7 13.485 20.859 7.462 1.00 0.00 O ATOM 77 CB PHE A 7 10.381 19.742 7.707 1.00 0.00 C ATOM 78 CG PHE A 7 11.020 19.151 8.944 1.00 0.00 C ATOM 79 CD1 PHE A 7 11.310 19.949 10.039 1.00 0.00 C ATOM 80 CD2 PHE A 7 11.322 17.804 9.009 1.00 0.00 C ATOM 81 CE1 PHE A 7 11.891 19.415 11.171 1.00 0.00 C ATOM 82 CE2 PHE A 7 11.906 17.264 10.139 1.00 0.00 C ATOM 83 CZ PHE A 7 12.189 18.070 11.221 1.00 0.00 C ATOM 0 H PHE A 7 11.971 18.101 6.658 1.00 0.00 H new ATOM 0 HA PHE A 7 10.814 20.538 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.824 20.634 7.993 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.658 19.028 7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 7 11.078 21.003 10.006 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.099 17.166 8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 7 12.112 20.050 12.016 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.141 16.210 10.174 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.643 17.649 12.106 1.00 0.00 H new ATOM 93 N GLY A 8 11.898 22.406 7.104 1.00 0.00 N ATOM 94 CA GLY A 8 12.699 23.490 7.597 1.00 0.00 C ATOM 95 C GLY A 8 12.476 23.743 9.070 1.00 0.00 C ATOM 96 O GLY A 8 12.276 22.811 9.844 1.00 0.00 O ATOM 0 H GLY A 8 10.973 22.680 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.752 23.269 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.467 24.395 7.036 1.00 0.00 H new ATOM 100 N ALA A 9 12.460 25.002 9.453 1.00 0.00 N ATOM 101 CA ALA A 9 12.326 25.374 10.854 1.00 0.00 C ATOM 102 C ALA A 9 10.997 26.048 11.100 1.00 0.00 C ATOM 103 O ALA A 9 10.810 26.744 12.093 1.00 0.00 O ATOM 104 CB ALA A 9 13.467 26.291 11.263 1.00 0.00 C ATOM 0 H ALA A 9 12.538 25.792 8.813 1.00 0.00 H new ATOM 0 HA ALA A 9 12.368 24.468 11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.357 26.563 12.313 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.417 25.776 11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.447 27.192 10.651 1.00 0.00 H new ATOM 110 N GLY A 10 10.076 25.831 10.195 1.00 0.00 N ATOM 111 CA GLY A 10 8.772 26.423 10.314 1.00 0.00 C ATOM 112 C GLY A 10 8.038 26.414 9.006 1.00 0.00 C ATOM 113 O GLY A 10 7.650 27.467 8.501 1.00 0.00 O ATOM 0 H GLY A 10 10.207 25.248 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.192 25.880 11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.869 27.449 10.670 1.00 0.00 H new ATOM 117 N CYS A 11 7.876 25.232 8.431 1.00 0.00 N ATOM 118 CA CYS A 11 7.164 25.101 7.181 1.00 0.00 C ATOM 119 C CYS A 11 5.681 25.318 7.368 1.00 0.00 C ATOM 120 O CYS A 11 5.153 25.208 8.479 1.00 0.00 O ATOM 121 CB CYS A 11 7.401 23.734 6.588 1.00 0.00 C ATOM 122 SG CYS A 11 9.131 23.344 6.382 1.00 0.00 S ATOM 0 H CYS A 11 8.229 24.355 8.813 1.00 0.00 H new ATOM 0 HA CYS A 11 7.542 25.866 6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.940 22.983 7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.904 23.675 5.619 1.00 0.00 H new ATOM 127 N THR A 12 5.019 25.615 6.287 1.00 0.00 N ATOM 128 CA THR A 12 3.607 25.815 6.295 1.00 0.00 C ATOM 129 C THR A 12 2.894 24.478 6.230 1.00 0.00 C ATOM 130 O THR A 12 3.510 23.446 5.939 1.00 0.00 O ATOM 131 CB THR A 12 3.195 26.646 5.087 1.00 0.00 C ATOM 132 OG1 THR A 12 3.719 26.043 3.900 1.00 0.00 O ATOM 133 CG2 THR A 12 3.711 28.059 5.204 1.00 0.00 C ATOM 0 H THR A 12 5.452 25.725 5.370 1.00 0.00 H new ATOM 0 HA THR A 12 3.335 26.335 7.214 1.00 0.00 H new ATOM 0 HB THR A 12 2.106 26.680 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.619 26.662 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.404 28.632 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.304 28.522 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.799 28.045 5.265 1.00 0.00 H new ATOM 141 N ASP A 13 1.610 24.485 6.501 1.00 0.00 N ATOM 142 CA ASP A 13 0.815 23.279 6.389 1.00 0.00 C ATOM 143 C ASP A 13 0.695 22.903 4.924 1.00 0.00 C ATOM 144 O ASP A 13 0.653 21.727 4.562 1.00 0.00 O ATOM 145 CB ASP A 13 -0.577 23.499 6.991 1.00 0.00 C ATOM 146 CG ASP A 13 -1.520 22.341 6.725 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.551 21.391 7.538 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.234 22.374 5.701 1.00 0.00 O ATOM 0 H ASP A 13 1.091 25.311 6.801 1.00 0.00 H new ATOM 0 HA ASP A 13 1.301 22.472 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.484 23.646 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.006 24.413 6.580 1.00 0.00 H new ATOM 153 N VAL A 14 0.700 23.924 4.087 1.00 0.00 N ATOM 154 CA VAL A 14 0.555 23.760 2.660 1.00 0.00 C ATOM 155 C VAL A 14 1.849 23.224 2.008 1.00 0.00 C ATOM 156 O VAL A 14 1.845 22.802 0.846 1.00 0.00 O ATOM 157 CB VAL A 14 0.115 25.096 2.005 1.00 0.00 C ATOM 158 CG1 VAL A 14 1.209 26.141 2.063 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.344 24.879 0.593 1.00 0.00 C ATOM 0 H VAL A 14 0.806 24.894 4.384 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.222 23.015 2.489 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.727 25.476 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.859 27.060 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.467 26.340 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.089 25.776 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.646 25.832 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.471 24.455 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.191 24.192 0.587 1.00 0.00 H new ATOM 169 N CYS A 15 2.942 23.217 2.766 1.00 0.00 N ATOM 170 CA CYS A 15 4.208 22.694 2.265 1.00 0.00 C ATOM 171 C CYS A 15 4.180 21.171 2.276 1.00 0.00 C ATOM 172 O CYS A 15 4.878 20.513 1.513 1.00 0.00 O ATOM 173 CB CYS A 15 5.379 23.209 3.107 1.00 0.00 C ATOM 174 SG CYS A 15 6.991 22.514 2.655 1.00 0.00 S ATOM 0 H CYS A 15 2.976 23.566 3.724 1.00 0.00 H new ATOM 0 HA CYS A 15 4.346 23.041 1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.427 24.294 3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.182 22.986 4.156 1.00 0.00 H new ATOM 179 N LYS A 16 3.340 20.612 3.136 1.00 0.00 N ATOM 180 CA LYS A 16 3.216 19.168 3.238 1.00 0.00 C ATOM 181 C LYS A 16 2.233 18.652 2.193 1.00 0.00 C ATOM 182 O LYS A 16 1.802 17.495 2.236 1.00 0.00 O ATOM 183 CB LYS A 16 2.769 18.764 4.648 1.00 0.00 C ATOM 184 CG LYS A 16 3.587 19.415 5.759 1.00 0.00 C ATOM 185 CD LYS A 16 5.057 18.986 5.735 1.00 0.00 C ATOM 186 CE LYS A 16 5.922 20.026 6.445 1.00 0.00 C ATOM 187 NZ LYS A 16 7.336 19.605 6.534 1.00 0.00 N ATOM 0 H LYS A 16 2.737 21.136 3.770 1.00 0.00 H new ATOM 0 HA LYS A 16 4.191 18.719 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.720 19.030 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.838 17.681 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.527 20.499 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.152 19.157 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.168 18.017 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.392 18.866 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.859 20.974 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.532 20.198 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.920 20.412 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.426 18.836 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.658 19.271 5.603 1.00 0.00 H new ATOM 201 N GLN A 17 1.875 19.522 1.256 1.00 0.00 N ATOM 202 CA GLN A 17 0.990 19.152 0.166 1.00 0.00 C ATOM 203 C GLN A 17 1.749 18.375 -0.897 1.00 0.00 C ATOM 204 O GLN A 17 2.978 18.329 -0.896 1.00 0.00 O ATOM 205 CB GLN A 17 0.319 20.386 -0.465 1.00 0.00 C ATOM 206 CG GLN A 17 -0.937 20.860 0.254 1.00 0.00 C ATOM 207 CD GLN A 17 -1.688 21.950 -0.515 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.600 22.038 -1.738 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.482 22.730 0.196 1.00 0.00 N ATOM 0 H GLN A 17 2.188 20.493 1.232 1.00 0.00 H new ATOM 0 HA GLN A 17 0.207 18.518 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.040 21.204 -0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.065 20.156 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.601 20.011 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.665 21.239 1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.526 22.625 1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.051 23.438 -0.269 1.00 0.00 H new ATOM 218 N THR A 18 1.017 17.774 -1.791 1.00 0.00 N ATOM 219 CA THR A 18 1.588 16.985 -2.870 1.00 0.00 C ATOM 220 C THR A 18 0.594 16.920 -4.029 1.00 0.00 C ATOM 221 O THR A 18 -0.404 16.202 -3.957 1.00 0.00 O ATOM 222 CB THR A 18 1.951 15.549 -2.405 1.00 0.00 C ATOM 223 OG1 THR A 18 2.873 15.612 -1.307 1.00 0.00 O ATOM 224 CG2 THR A 18 2.583 14.752 -3.542 1.00 0.00 C ATOM 0 H THR A 18 -0.002 17.812 -1.801 1.00 0.00 H new ATOM 0 HA THR A 18 2.510 17.469 -3.193 1.00 0.00 H new ATOM 0 HB THR A 18 1.033 15.051 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.098 14.704 -1.016 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.828 13.750 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.881 14.684 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.492 15.252 -3.876 1.00 0.00 H new ATOM 232 N PRO A 19 0.832 17.688 -5.111 1.00 0.00 N ATOM 233 CA PRO A 19 2.020 18.550 -5.257 1.00 0.00 C ATOM 234 C PRO A 19 2.025 19.696 -4.260 1.00 0.00 C ATOM 235 O PRO A 19 0.991 20.017 -3.670 1.00 0.00 O ATOM 236 CB PRO A 19 1.897 19.092 -6.683 1.00 0.00 C ATOM 237 CG PRO A 19 0.445 19.006 -6.993 1.00 0.00 C ATOM 238 CD PRO A 19 -0.068 17.799 -6.258 1.00 0.00 C ATOM 0 HA PRO A 19 2.944 18.001 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.256 20.119 -6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.488 18.502 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.076 19.908 -6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.281 18.908 -8.066 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.103 17.931 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.035 16.906 -6.882 1.00 0.00 H new ATOM 246 N CYS A 20 3.182 20.305 -4.081 1.00 0.00 N ATOM 247 CA CYS A 20 3.345 21.370 -3.119 1.00 0.00 C ATOM 248 C CYS A 20 2.363 22.492 -3.397 1.00 0.00 C ATOM 249 O CYS A 20 2.237 22.956 -4.531 1.00 0.00 O ATOM 250 CB CYS A 20 4.764 21.883 -3.149 1.00 0.00 C ATOM 251 SG CYS A 20 5.373 22.384 -1.543 1.00 0.00 S ATOM 0 H CYS A 20 4.030 20.074 -4.598 1.00 0.00 H new ATOM 0 HA CYS A 20 3.139 20.978 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.415 21.106 -3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.822 22.731 -3.832 1.00 0.00 H new ATOM 256 N GLY A 21 1.679 22.931 -2.365 1.00 0.00 N ATOM 257 CA GLY A 21 0.643 23.894 -2.547 1.00 0.00 C ATOM 258 C GLY A 21 1.090 25.316 -2.320 1.00 0.00 C ATOM 259 O GLY A 21 0.318 26.243 -2.529 1.00 0.00 O ATOM 0 H GLY A 21 1.828 22.633 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.249 23.804 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.176 23.667 -1.865 1.00 0.00 H new ATOM 263 N CYS A 22 2.334 25.510 -1.905 1.00 0.00 N ATOM 264 CA CYS A 22 2.843 26.865 -1.678 1.00 0.00 C ATOM 265 C CYS A 22 2.842 27.679 -2.975 1.00 0.00 C ATOM 266 O CYS A 22 2.881 28.902 -2.949 1.00 0.00 O ATOM 267 CB CYS A 22 4.245 26.833 -1.068 1.00 0.00 C ATOM 268 SG CYS A 22 4.302 26.290 0.659 1.00 0.00 S ATOM 0 H CYS A 22 3.004 24.763 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 22 2.174 27.352 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.872 26.170 -1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.680 27.830 -1.136 1.00 0.00 H new ATOM 273 N ALA A 23 2.762 26.985 -4.103 1.00 0.00 N ATOM 274 CA ALA A 23 2.742 27.633 -5.404 1.00 0.00 C ATOM 275 C ALA A 23 1.349 28.173 -5.740 1.00 0.00 C ATOM 276 O ALA A 23 1.187 28.945 -6.681 1.00 0.00 O ATOM 277 CB ALA A 23 3.203 26.662 -6.477 1.00 0.00 C ATOM 0 H ALA A 23 2.710 25.967 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 23 3.427 28.480 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.184 27.157 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.218 26.332 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.537 25.799 -6.497 1.00 0.00 H new ATOM 283 N THR A 24 0.348 27.762 -4.974 1.00 0.00 N ATOM 284 CA THR A 24 -1.013 28.212 -5.214 1.00 0.00 C ATOM 285 C THR A 24 -1.615 28.875 -3.965 1.00 0.00 C ATOM 286 O THR A 24 -2.571 29.646 -4.060 1.00 0.00 O ATOM 287 CB THR A 24 -1.925 27.040 -5.697 1.00 0.00 C ATOM 288 OG1 THR A 24 -3.241 27.521 -6.008 1.00 0.00 O ATOM 289 CG2 THR A 24 -2.025 25.945 -4.642 1.00 0.00 C ATOM 0 H THR A 24 0.453 27.122 -4.187 1.00 0.00 H new ATOM 0 HA THR A 24 -0.966 28.958 -6.007 1.00 0.00 H new ATOM 0 HB THR A 24 -1.470 26.621 -6.594 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.799 26.774 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.667 25.144 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.031 25.548 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.449 26.359 -3.727 1.00 0.00 H new ATOM 297 N SER A 25 -1.051 28.574 -2.804 1.00 0.00 N ATOM 298 CA SER A 25 -1.541 29.120 -1.550 1.00 0.00 C ATOM 299 C SER A 25 -0.591 30.179 -0.984 1.00 0.00 C ATOM 300 O SER A 25 -0.953 30.921 -0.071 1.00 0.00 O ATOM 301 CB SER A 25 -1.718 27.995 -0.538 1.00 0.00 C ATOM 302 OG SER A 25 -2.600 26.995 -1.033 1.00 0.00 O ATOM 0 H SER A 25 -0.249 27.951 -2.706 1.00 0.00 H new ATOM 0 HA SER A 25 -2.499 29.601 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.749 27.550 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.109 28.400 0.395 1.00 0.00 H new ATOM 0 HG SER A 25 -2.822 26.369 -0.313 1.00 0.00 H new ATOM 308 N GLY A 26 0.615 30.248 -1.526 1.00 0.00 N ATOM 309 CA GLY A 26 1.590 31.201 -1.035 1.00 0.00 C ATOM 310 C GLY A 26 2.552 30.571 -0.044 1.00 0.00 C ATOM 311 O GLY A 26 2.135 29.856 0.870 1.00 0.00 O ATOM 0 H GLY A 26 0.937 29.662 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.151 31.611 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.074 32.035 -0.559 1.00 0.00 H new ATOM 315 N CYS A 27 3.832 30.825 -0.231 1.00 0.00 N ATOM 316 CA CYS A 27 4.855 30.278 0.642 1.00 0.00 C ATOM 317 C CYS A 27 5.074 31.172 1.865 1.00 0.00 C ATOM 318 O CYS A 27 5.040 32.406 1.762 1.00 0.00 O ATOM 319 CB CYS A 27 6.169 30.118 -0.126 1.00 0.00 C ATOM 320 SG CYS A 27 7.542 29.505 0.877 1.00 0.00 S ATOM 0 H CYS A 27 4.191 31.411 -0.985 1.00 0.00 H new ATOM 0 HA CYS A 27 4.516 29.302 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.009 29.434 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.447 31.082 -0.553 1.00 0.00 H new ATOM 325 N ASN A 28 5.289 30.544 3.025 1.00 0.00 N ATOM 326 CA ASN A 28 5.555 31.276 4.275 1.00 0.00 C ATOM 327 C ASN A 28 6.613 30.551 5.087 1.00 0.00 C ATOM 328 O ASN A 28 6.805 30.833 6.270 1.00 0.00 O ATOM 329 CB ASN A 28 4.284 31.404 5.134 1.00 0.00 C ATOM 330 CG ASN A 28 3.123 32.032 4.408 1.00 0.00 C ATOM 331 OD1 ASN A 28 2.312 31.204 3.782 1.00 0.00 O flip ATOM 332 ND2 ASN A 28 2.951 33.253 4.419 1.00 0.00 N flip ATOM 0 H ASN A 28 5.285 29.529 3.128 1.00 0.00 H new ATOM 0 HA ASN A 28 5.901 32.273 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.990 30.414 5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.512 31.998 6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.606 33.856 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.154 33.660 3.930 1.00 0.00 H new ATOM 339 N CYS A 29 7.299 29.615 4.453 1.00 0.00 N ATOM 340 CA CYS A 29 8.307 28.822 5.135 1.00 0.00 C ATOM 341 C CYS A 29 9.561 29.637 5.410 1.00 0.00 C ATOM 342 O CYS A 29 9.778 30.695 4.813 1.00 0.00 O ATOM 343 CB CYS A 29 8.654 27.582 4.317 1.00 0.00 C ATOM 344 SG CYS A 29 7.260 26.473 4.032 1.00 0.00 S ATOM 0 H CYS A 29 7.176 29.386 3.467 1.00 0.00 H new ATOM 0 HA CYS A 29 7.891 28.510 6.093 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.057 27.896 3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.443 27.032 4.829 1.00 0.00 H new ATOM 349 N THR A 30 10.377 29.142 6.316 1.00 0.00 N ATOM 350 CA THR A 30 11.605 29.801 6.684 1.00 0.00 C ATOM 351 C THR A 30 12.741 29.424 5.728 1.00 0.00 C ATOM 352 O THR A 30 12.555 28.608 4.819 1.00 0.00 O ATOM 353 CB THR A 30 11.992 29.445 8.131 1.00 0.00 C ATOM 354 OG1 THR A 30 11.898 28.022 8.328 1.00 0.00 O ATOM 355 CG2 THR A 30 11.072 30.145 9.116 1.00 0.00 C ATOM 0 H THR A 30 10.205 28.270 6.817 1.00 0.00 H new ATOM 0 HA THR A 30 11.443 30.877 6.614 1.00 0.00 H new ATOM 0 HB THR A 30 13.017 29.774 8.303 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.249 27.832 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.360 29.882 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.151 31.224 8.984 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.043 29.832 8.938 1.00 0.00 H new ATOM 363 N ASP A 31 13.909 30.011 5.932 1.00 0.00 N ATOM 364 CA ASP A 31 15.066 29.745 5.074 1.00 0.00 C ATOM 365 C ASP A 31 15.642 28.367 5.325 1.00 0.00 C ATOM 366 O ASP A 31 16.379 27.831 4.494 1.00 0.00 O ATOM 367 CB ASP A 31 16.145 30.806 5.267 1.00 0.00 C ATOM 368 CG ASP A 31 15.804 32.107 4.586 1.00 0.00 C ATOM 369 OD1 ASP A 31 15.072 32.924 5.184 1.00 0.00 O ATOM 370 OD2 ASP A 31 16.267 32.321 3.447 1.00 0.00 O ATOM 0 H ASP A 31 14.087 30.677 6.684 1.00 0.00 H new ATOM 0 HA ASP A 31 14.716 29.784 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.288 30.984 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.091 30.432 4.876 1.00 0.00 H new ATOM 375 N ASP A 32 15.306 27.790 6.467 1.00 0.00 N ATOM 376 CA ASP A 32 15.770 26.450 6.811 1.00 0.00 C ATOM 377 C ASP A 32 14.999 25.397 6.015 1.00 0.00 C ATOM 378 O ASP A 32 15.351 24.221 6.013 1.00 0.00 O ATOM 379 CB ASP A 32 15.625 26.200 8.318 1.00 0.00 C ATOM 380 CG ASP A 32 16.267 24.896 8.765 1.00 0.00 C ATOM 381 OD1 ASP A 32 15.568 24.052 9.365 1.00 0.00 O ATOM 382 OD2 ASP A 32 17.475 24.715 8.525 1.00 0.00 O ATOM 0 H ASP A 32 14.714 28.226 7.174 1.00 0.00 H new ATOM 0 HA ASP A 32 16.826 26.373 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.077 27.028 8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.567 26.187 8.579 1.00 0.00 H new ATOM 387 N CYS A 33 13.932 25.838 5.343 1.00 0.00 N ATOM 388 CA CYS A 33 13.129 24.961 4.502 1.00 0.00 C ATOM 389 C CYS A 33 13.992 24.372 3.403 1.00 0.00 C ATOM 390 O CYS A 33 14.557 25.102 2.591 1.00 0.00 O ATOM 391 CB CYS A 33 11.957 25.737 3.895 1.00 0.00 C ATOM 392 SG CYS A 33 10.941 24.791 2.743 1.00 0.00 S ATOM 0 H CYS A 33 13.607 26.804 5.369 1.00 0.00 H new ATOM 0 HA CYS A 33 12.730 24.151 5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 33 11.323 26.101 4.703 1.00 0.00 H new ATOM 0 HB3 CYS A 33 12.348 26.613 3.378 1.00 0.00 H new ATOM 397 N LYS A 34 14.100 23.060 3.380 1.00 0.00 N ATOM 398 CA LYS A 34 14.944 22.396 2.408 1.00 0.00 C ATOM 399 C LYS A 34 14.129 21.723 1.318 1.00 0.00 C ATOM 400 O LYS A 34 14.663 20.935 0.539 1.00 0.00 O ATOM 401 CB LYS A 34 15.843 21.370 3.095 1.00 0.00 C ATOM 402 CG LYS A 34 16.850 21.977 4.055 1.00 0.00 C ATOM 403 CD LYS A 34 17.861 20.943 4.538 1.00 0.00 C ATOM 404 CE LYS A 34 17.192 19.825 5.325 1.00 0.00 C ATOM 405 NZ LYS A 34 18.182 18.877 5.894 1.00 0.00 N ATOM 0 H LYS A 34 13.615 22.433 4.022 1.00 0.00 H new ATOM 0 HA LYS A 34 15.563 23.161 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.219 20.662 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.378 20.803 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.374 22.796 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.326 22.402 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.387 20.521 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.609 21.430 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.597 20.255 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.505 19.284 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.685 18.131 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.733 18.447 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.822 19.387 6.535 1.00 0.00 H new ATOM 419 N CYS A 35 12.849 22.040 1.245 1.00 0.00 N ATOM 420 CA CYS A 35 12.005 21.436 0.246 1.00 0.00 C ATOM 421 C CYS A 35 12.319 22.012 -1.121 1.00 0.00 C ATOM 422 O CYS A 35 12.649 23.183 -1.251 1.00 0.00 O ATOM 423 CB CYS A 35 10.529 21.626 0.573 1.00 0.00 C ATOM 424 SG CYS A 35 9.426 20.759 -0.566 1.00 0.00 S ATOM 0 H CYS A 35 12.381 22.705 1.861 1.00 0.00 H new ATOM 0 HA CYS A 35 12.209 20.365 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.341 21.275 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.294 22.690 0.555 1.00 0.00 H new ATOM 429 N GLN A 36 12.228 21.188 -2.133 1.00 0.00 N ATOM 430 CA GLN A 36 12.537 21.616 -3.482 1.00 0.00 C ATOM 431 C GLN A 36 11.258 21.723 -4.294 1.00 0.00 C ATOM 432 O GLN A 36 11.291 21.926 -5.504 1.00 0.00 O ATOM 433 CB GLN A 36 13.490 20.614 -4.136 1.00 0.00 C ATOM 434 CG GLN A 36 14.527 20.049 -3.173 1.00 0.00 C ATOM 435 CD GLN A 36 15.560 19.166 -3.846 1.00 0.00 C ATOM 436 OE1 GLN A 36 15.204 18.575 -4.966 1.00 0.00 O flip ATOM 437 NE2 GLN A 36 16.684 19.033 -3.360 1.00 0.00 N flip ATOM 0 H GLN A 36 11.942 20.212 -2.053 1.00 0.00 H new ATOM 0 HA GLN A 36 13.017 22.594 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.910 19.793 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.002 21.100 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.036 20.874 -2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.018 19.474 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.923 19.508 -2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.376 18.448 -3.828 1.00 0.00 H new ATOM 446 N SER A 37 10.131 21.598 -3.614 1.00 0.00 N ATOM 447 CA SER A 37 8.846 21.607 -4.283 1.00 0.00 C ATOM 448 C SER A 37 8.138 22.957 -4.167 1.00 0.00 C ATOM 449 O SER A 37 7.373 23.323 -5.045 1.00 0.00 O ATOM 450 CB SER A 37 7.965 20.487 -3.739 1.00 0.00 C ATOM 451 OG SER A 37 8.673 19.252 -3.707 1.00 0.00 O ATOM 0 H SER A 37 10.082 21.489 -2.601 1.00 0.00 H new ATOM 0 HA SER A 37 9.028 21.438 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.625 20.742 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.075 20.385 -4.360 1.00 0.00 H new ATOM 0 HG SER A 37 8.089 18.549 -3.353 1.00 0.00 H new ATOM 457 N CYS A 38 8.382 23.695 -3.094 1.00 0.00 N ATOM 458 CA CYS A 38 7.744 24.999 -2.942 1.00 0.00 C ATOM 459 C CYS A 38 8.695 26.085 -3.378 1.00 0.00 C ATOM 460 O CYS A 38 8.288 27.185 -3.746 1.00 0.00 O ATOM 461 CB CYS A 38 7.317 25.238 -1.491 1.00 0.00 C ATOM 462 SG CYS A 38 8.682 25.311 -0.309 1.00 0.00 S ATOM 0 H CYS A 38 9.002 23.424 -2.331 1.00 0.00 H new ATOM 0 HA CYS A 38 6.852 25.018 -3.569 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.758 26.173 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.635 24.442 -1.191 1.00 0.00 H new ATOM 467 N LYS A 39 9.961 25.747 -3.365 1.00 0.00 N ATOM 468 CA LYS A 39 11.014 26.667 -3.671 1.00 0.00 C ATOM 469 C LYS A 39 11.420 26.609 -5.143 1.00 0.00 C ATOM 470 O LYS A 39 12.604 26.513 -5.459 1.00 0.00 O ATOM 471 CB LYS A 39 12.187 26.364 -2.774 1.00 0.00 C ATOM 472 CG LYS A 39 11.907 26.714 -1.329 1.00 0.00 C ATOM 473 CD LYS A 39 12.825 25.979 -0.397 1.00 0.00 C ATOM 474 CE LYS A 39 14.283 26.213 -0.770 1.00 0.00 C ATOM 475 NZ LYS A 39 15.216 25.405 0.051 1.00 0.00 N ATOM 0 H LYS A 39 10.288 24.808 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 39 10.659 27.682 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.435 25.305 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.059 26.920 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.024 27.788 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.872 26.471 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.650 26.309 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.604 24.912 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.428 25.972 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.520 27.270 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.196 25.662 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.041 25.590 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.067 24.395 -0.147 1.00 0.00 H new ATOM 489 N TYR A 40 10.426 26.652 -6.034 1.00 0.00 N ATOM 490 CA TYR A 40 10.666 26.670 -7.488 1.00 0.00 C ATOM 491 C TYR A 40 11.692 27.744 -7.865 1.00 0.00 C ATOM 492 O TYR A 40 11.558 28.902 -7.467 1.00 0.00 O ATOM 493 CB TYR A 40 9.366 26.963 -8.245 1.00 0.00 C ATOM 494 CG TYR A 40 8.339 25.854 -8.219 1.00 0.00 C ATOM 495 CD1 TYR A 40 7.273 25.886 -7.332 1.00 0.00 C ATOM 496 CD2 TYR A 40 8.427 24.786 -9.099 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.326 24.882 -7.324 1.00 0.00 C ATOM 498 CE2 TYR A 40 7.485 23.777 -9.094 1.00 0.00 C ATOM 499 CZ TYR A 40 6.437 23.832 -8.206 1.00 0.00 C ATOM 500 OH TYR A 40 5.493 22.832 -8.203 1.00 0.00 O ATOM 0 H TYR A 40 9.439 26.675 -5.776 1.00 0.00 H new ATOM 0 HA TYR A 40 11.048 25.687 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.916 27.863 -7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.612 27.184 -9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.183 26.708 -6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.247 24.743 -9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.501 24.920 -6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.571 22.950 -9.783 1.00 0.00 H new ATOM 0 HH TYR A 40 5.718 22.168 -8.887 1.00 0.00 H new ATOM 510 N GLY A 41 12.713 27.360 -8.619 1.00 0.00 N ATOM 511 CA GLY A 41 13.702 28.326 -9.053 1.00 0.00 C ATOM 512 C GLY A 41 14.967 27.681 -9.578 1.00 0.00 C ATOM 513 O GLY A 41 15.340 27.872 -10.741 1.00 0.00 O ATOM 0 H GLY A 41 12.874 26.404 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.271 28.955 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.954 28.980 -8.218 1.00 0.00 H new ATOM 517 N ALA A 42 15.616 26.902 -8.740 1.00 0.00 N ATOM 518 CA ALA A 42 16.864 26.259 -9.112 1.00 0.00 C ATOM 519 C ALA A 42 16.628 24.867 -9.673 1.00 0.00 C ATOM 520 O ALA A 42 17.569 24.110 -9.897 1.00 0.00 O ATOM 521 CB ALA A 42 17.800 26.196 -7.913 1.00 0.00 C ATOM 0 H ALA A 42 15.301 26.696 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 42 17.329 26.857 -9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.732 25.712 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 42 18.010 27.206 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.329 25.625 -7.113 1.00 0.00 H new ATOM 527 N GLY A 43 15.377 24.525 -9.923 1.00 0.00 N ATOM 528 CA GLY A 43 15.099 23.207 -10.423 1.00 0.00 C ATOM 529 C GLY A 43 14.084 23.140 -11.534 1.00 0.00 C ATOM 530 O GLY A 43 14.060 22.168 -12.268 1.00 0.00 O ATOM 0 H GLY A 43 14.564 25.127 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.031 22.767 -10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.749 22.589 -9.596 1.00 0.00 H new ATOM 534 N CYS A 44 13.309 24.177 -11.713 1.00 0.00 N ATOM 535 CA CYS A 44 12.192 24.112 -12.660 1.00 0.00 C ATOM 536 C CYS A 44 12.252 25.143 -13.762 1.00 0.00 C ATOM 537 O CYS A 44 13.228 25.883 -13.905 1.00 0.00 O ATOM 538 CB CYS A 44 10.866 24.237 -11.924 1.00 0.00 C ATOM 539 SG CYS A 44 10.369 22.747 -11.074 1.00 0.00 S ATOM 0 H CYS A 44 13.415 25.070 -11.231 1.00 0.00 H new ATOM 0 HA CYS A 44 12.276 23.138 -13.142 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.938 25.050 -11.201 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.090 24.513 -12.638 1.00 0.00 H new ATOM 544 N THR A 45 11.182 25.159 -14.541 1.00 0.00 N ATOM 545 CA THR A 45 10.996 26.055 -15.640 1.00 0.00 C ATOM 546 C THR A 45 9.497 26.324 -15.775 1.00 0.00 C ATOM 547 O THR A 45 8.683 25.674 -15.098 1.00 0.00 O ATOM 548 CB THR A 45 11.545 25.443 -16.963 1.00 0.00 C ATOM 549 OG1 THR A 45 11.400 26.369 -18.046 1.00 0.00 O ATOM 550 CG2 THR A 45 10.816 24.150 -17.309 1.00 0.00 C ATOM 0 H THR A 45 10.398 24.520 -14.409 1.00 0.00 H new ATOM 0 HA THR A 45 11.542 26.980 -15.454 1.00 0.00 H new ATOM 0 HB THR A 45 12.602 25.226 -16.811 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.752 25.968 -18.868 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.218 23.743 -18.237 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.956 23.427 -16.505 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.752 24.354 -17.433 1.00 0.00 H new ATOM 558 N ASP A 46 9.132 27.235 -16.648 1.00 0.00 N ATOM 559 CA ASP A 46 7.722 27.600 -16.837 1.00 0.00 C ATOM 560 C ASP A 46 6.950 26.482 -17.521 1.00 0.00 C ATOM 561 O ASP A 46 5.723 26.455 -17.500 1.00 0.00 O ATOM 562 CB ASP A 46 7.594 28.895 -17.648 1.00 0.00 C ATOM 563 CG ASP A 46 8.020 30.123 -16.871 1.00 0.00 C ATOM 564 OD1 ASP A 46 7.176 30.700 -16.157 1.00 0.00 O ATOM 565 OD2 ASP A 46 9.203 30.522 -16.973 1.00 0.00 O ATOM 0 H ASP A 46 9.783 27.745 -17.245 1.00 0.00 H new ATOM 0 HA ASP A 46 7.293 27.762 -15.848 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.200 28.814 -18.550 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.559 29.016 -17.969 1.00 0.00 H new ATOM 570 N THR A 47 7.676 25.556 -18.106 1.00 0.00 N ATOM 571 CA THR A 47 7.086 24.449 -18.824 1.00 0.00 C ATOM 572 C THR A 47 6.632 23.332 -17.865 1.00 0.00 C ATOM 573 O THR A 47 5.749 22.548 -18.192 1.00 0.00 O ATOM 574 CB THR A 47 8.100 23.878 -19.833 1.00 0.00 C ATOM 575 OG1 THR A 47 8.829 24.957 -20.438 1.00 0.00 O ATOM 576 CG2 THR A 47 7.394 23.099 -20.923 1.00 0.00 C ATOM 0 H THR A 47 8.696 25.550 -18.097 1.00 0.00 H new ATOM 0 HA THR A 47 6.209 24.824 -19.351 1.00 0.00 H new ATOM 0 HB THR A 47 8.777 23.211 -19.300 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.476 24.596 -21.079 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.130 22.705 -21.624 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.838 22.273 -20.478 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.705 23.757 -21.452 1.00 0.00 H new ATOM 584 N CYS A 48 7.216 23.288 -16.678 1.00 0.00 N ATOM 585 CA CYS A 48 6.896 22.233 -15.712 1.00 0.00 C ATOM 586 C CYS A 48 5.656 22.597 -14.881 1.00 0.00 C ATOM 587 O CYS A 48 4.750 21.784 -14.705 1.00 0.00 O ATOM 588 CB CYS A 48 8.106 21.968 -14.796 1.00 0.00 C ATOM 589 SG CYS A 48 7.918 20.563 -13.665 1.00 0.00 S ATOM 0 H CYS A 48 7.910 23.962 -16.356 1.00 0.00 H new ATOM 0 HA CYS A 48 6.668 21.322 -16.265 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.984 21.798 -15.419 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.301 22.865 -14.208 1.00 0.00 H new ATOM 594 N LYS A 49 5.591 23.851 -14.434 1.00 0.00 N ATOM 595 CA LYS A 49 4.503 24.316 -13.562 1.00 0.00 C ATOM 596 C LYS A 49 3.187 24.542 -14.316 1.00 0.00 C ATOM 597 O LYS A 49 2.251 25.127 -13.772 1.00 0.00 O ATOM 598 CB LYS A 49 4.924 25.608 -12.863 1.00 0.00 C ATOM 599 CG LYS A 49 5.563 26.619 -13.804 1.00 0.00 C ATOM 600 CD LYS A 49 5.794 27.964 -13.136 1.00 0.00 C ATOM 601 CE LYS A 49 6.527 27.828 -11.802 1.00 0.00 C ATOM 602 NZ LYS A 49 6.795 29.149 -11.179 1.00 0.00 N ATOM 0 H LYS A 49 6.280 24.568 -14.660 1.00 0.00 H new ATOM 0 HA LYS A 49 4.320 23.528 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.051 26.060 -12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.627 25.369 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.514 26.226 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.924 26.754 -14.676 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.372 28.604 -13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.835 28.456 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.931 27.220 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.469 27.302 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.293 29.012 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.385 29.721 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.895 29.641 -11.007 1.00 0.00 H new ATOM 616 N GLN A 50 3.113 24.072 -15.549 1.00 0.00 N ATOM 617 CA GLN A 50 1.909 24.250 -16.363 1.00 0.00 C ATOM 618 C GLN A 50 0.719 23.483 -15.793 1.00 0.00 C ATOM 619 O GLN A 50 -0.412 23.956 -15.855 1.00 0.00 O ATOM 620 CB GLN A 50 2.159 23.821 -17.792 1.00 0.00 C ATOM 621 CG GLN A 50 3.311 24.547 -18.438 1.00 0.00 C ATOM 622 CD GLN A 50 3.230 24.558 -19.939 1.00 0.00 C ATOM 623 OE1 GLN A 50 2.655 23.665 -20.552 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.842 25.542 -20.541 1.00 0.00 N ATOM 0 H GLN A 50 3.866 23.565 -16.013 1.00 0.00 H new ATOM 0 HA GLN A 50 1.666 25.312 -16.345 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.356 22.749 -17.813 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.256 23.991 -18.379 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.337 25.574 -18.073 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.246 24.077 -18.133 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.308 26.265 -19.992 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.854 25.588 -21.560 1.00 0.00 H new ATOM 633 N THR A 51 0.993 22.305 -15.232 1.00 0.00 N ATOM 634 CA THR A 51 -0.043 21.438 -14.646 1.00 0.00 C ATOM 635 C THR A 51 -0.870 20.722 -15.743 1.00 0.00 C ATOM 636 O THR A 51 -1.631 21.358 -16.477 1.00 0.00 O ATOM 637 CB THR A 51 -0.982 22.219 -13.690 1.00 0.00 C ATOM 638 OG1 THR A 51 -0.192 22.951 -12.735 1.00 0.00 O ATOM 639 CG2 THR A 51 -1.913 21.268 -12.949 1.00 0.00 C ATOM 0 H THR A 51 1.936 21.921 -15.168 1.00 0.00 H new ATOM 0 HA THR A 51 0.479 20.683 -14.059 1.00 0.00 H new ATOM 0 HB THR A 51 -1.585 22.907 -14.283 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.784 23.446 -12.132 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.562 21.838 -12.285 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.522 20.720 -13.669 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.322 20.564 -12.363 1.00 0.00 H new ATOM 647 N PRO A 52 -0.717 19.377 -15.866 1.00 0.00 N ATOM 648 CA PRO A 52 0.168 18.596 -14.995 1.00 0.00 C ATOM 649 C PRO A 52 1.629 18.928 -15.246 1.00 0.00 C ATOM 650 O PRO A 52 2.391 19.155 -14.316 1.00 0.00 O ATOM 651 CB PRO A 52 -0.131 17.140 -15.386 1.00 0.00 C ATOM 652 CG PRO A 52 -0.657 17.217 -16.779 1.00 0.00 C ATOM 653 CD PRO A 52 -1.388 18.526 -16.880 1.00 0.00 C ATOM 0 HA PRO A 52 -0.003 18.801 -13.938 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.768 16.525 -15.336 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.861 16.692 -14.712 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.155 17.168 -17.505 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.324 16.381 -16.990 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.308 18.954 -17.879 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.451 18.410 -16.667 1.00 0.00 H new ATOM 661 N CYS A 53 1.988 18.993 -16.513 1.00 0.00 N ATOM 662 CA CYS A 53 3.330 19.294 -16.924 1.00 0.00 C ATOM 663 C CYS A 53 3.343 19.522 -18.426 1.00 0.00 C ATOM 664 O CYS A 53 2.742 18.748 -19.172 1.00 0.00 O ATOM 665 CB CYS A 53 4.237 18.137 -16.563 1.00 0.00 C ATOM 666 SG CYS A 53 5.984 18.494 -16.725 1.00 0.00 S ATOM 0 H CYS A 53 1.344 18.835 -17.288 1.00 0.00 H new ATOM 0 HA CYS A 53 3.686 20.192 -16.419 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.033 17.837 -15.535 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.991 17.286 -17.198 1.00 0.00 H new ATOM 671 N GLY A 54 3.997 20.582 -18.874 1.00 0.00 N ATOM 672 CA GLY A 54 4.015 20.875 -20.287 1.00 0.00 C ATOM 673 C GLY A 54 5.284 20.433 -20.986 1.00 0.00 C ATOM 674 O GLY A 54 5.402 20.592 -22.204 1.00 0.00 O ATOM 0 H GLY A 54 4.512 21.239 -18.288 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.162 20.389 -20.760 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.889 21.948 -20.428 1.00 0.00 H new ATOM 678 N CYS A 55 6.249 19.899 -20.234 1.00 0.00 N ATOM 679 CA CYS A 55 7.487 19.436 -20.830 1.00 0.00 C ATOM 680 C CYS A 55 7.215 18.333 -21.849 1.00 0.00 C ATOM 681 O CYS A 55 7.528 18.486 -23.029 1.00 0.00 O ATOM 682 CB CYS A 55 8.457 18.950 -19.754 1.00 0.00 C ATOM 683 SG CYS A 55 9.032 20.245 -18.622 1.00 0.00 S ATOM 0 H CYS A 55 6.191 19.781 -19.223 1.00 0.00 H new ATOM 0 HA CYS A 55 7.949 20.275 -21.350 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.972 18.166 -19.173 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.322 18.499 -20.239 1.00 0.00 H new ATOM 688 N GLY A 56 6.618 17.236 -21.387 1.00 0.00 N ATOM 689 CA GLY A 56 6.283 16.124 -22.268 1.00 0.00 C ATOM 690 C GLY A 56 7.456 15.669 -23.100 1.00 0.00 C ATOM 691 O GLY A 56 7.433 15.781 -24.324 1.00 0.00 O ATOM 0 H GLY A 56 6.358 17.095 -20.411 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.921 15.288 -21.670 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.468 16.421 -22.928 1.00 0.00 H new ATOM 695 N SER A 57 8.500 15.187 -22.421 1.00 0.00 N ATOM 696 CA SER A 57 9.736 14.721 -23.064 1.00 0.00 C ATOM 697 C SER A 57 10.595 15.902 -23.556 1.00 0.00 C ATOM 698 O SER A 57 11.771 15.740 -23.878 1.00 0.00 O ATOM 699 CB SER A 57 9.428 13.738 -24.203 1.00 0.00 C ATOM 700 OG SER A 57 8.543 12.711 -23.757 1.00 0.00 O ATOM 0 H SER A 57 8.514 15.108 -21.404 1.00 0.00 H new ATOM 0 HA SER A 57 10.319 14.187 -22.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.980 14.273 -25.040 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.354 13.294 -24.567 1.00 0.00 H new ATOM 0 HG SER A 57 8.357 12.096 -24.497 1.00 0.00 H new ATOM 706 N GLY A 58 9.997 17.079 -23.591 1.00 0.00 N ATOM 707 CA GLY A 58 10.697 18.280 -23.980 1.00 0.00 C ATOM 708 C GLY A 58 10.879 19.187 -22.792 1.00 0.00 C ATOM 709 O GLY A 58 10.212 20.216 -22.669 1.00 0.00 O ATOM 0 H GLY A 58 9.016 17.224 -23.351 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.669 18.022 -24.402 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.139 18.798 -24.760 1.00 0.00 H new ATOM 713 N CYS A 59 11.764 18.787 -21.910 1.00 0.00 N ATOM 714 CA CYS A 59 12.009 19.494 -20.668 1.00 0.00 C ATOM 715 C CYS A 59 13.041 20.618 -20.824 1.00 0.00 C ATOM 716 O CYS A 59 13.937 20.553 -21.677 1.00 0.00 O ATOM 717 CB CYS A 59 12.445 18.489 -19.602 1.00 0.00 C ATOM 718 SG CYS A 59 13.303 19.200 -18.187 1.00 0.00 S ATOM 0 H CYS A 59 12.341 17.955 -22.032 1.00 0.00 H new ATOM 0 HA CYS A 59 11.082 19.978 -20.361 1.00 0.00 H new ATOM 0 HB2 CYS A 59 11.563 17.958 -19.243 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.096 17.749 -20.067 1.00 0.00 H new ATOM 723 N ASN A 60 12.896 21.650 -19.988 1.00 0.00 N ATOM 724 CA ASN A 60 13.788 22.812 -19.992 1.00 0.00 C ATOM 725 C ASN A 60 14.079 23.277 -18.569 1.00 0.00 C ATOM 726 O ASN A 60 14.423 24.443 -18.342 1.00 0.00 O ATOM 727 CB ASN A 60 13.166 23.968 -20.783 1.00 0.00 C ATOM 728 CG ASN A 60 13.304 23.801 -22.277 1.00 0.00 C ATOM 729 OD1 ASN A 60 12.448 23.212 -22.935 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.384 24.318 -22.825 1.00 0.00 N ATOM 0 H ASN A 60 12.156 21.703 -19.288 1.00 0.00 H new ATOM 0 HA ASN A 60 14.721 22.511 -20.467 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.109 24.049 -20.528 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.639 24.903 -20.482 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.534 24.237 -23.831 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.070 24.799 -22.244 1.00 0.00 H new ATOM 737 N CYS A 61 13.949 22.367 -17.617 1.00 0.00 N ATOM 738 CA CYS A 61 14.170 22.691 -16.211 1.00 0.00 C ATOM 739 C CYS A 61 15.647 22.902 -15.891 1.00 0.00 C ATOM 740 O CYS A 61 16.517 22.774 -16.756 1.00 0.00 O ATOM 741 CB CYS A 61 13.594 21.605 -15.313 1.00 0.00 C ATOM 742 SG CYS A 61 11.808 21.665 -15.157 1.00 0.00 S ATOM 0 H CYS A 61 13.691 21.395 -17.790 1.00 0.00 H new ATOM 0 HA CYS A 61 13.653 23.631 -16.018 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.882 20.630 -15.707 1.00 0.00 H new ATOM 0 HB3 CYS A 61 14.039 21.693 -14.322 1.00 0.00 H new ATOM 747 N LYS A 62 15.916 23.211 -14.635 1.00 0.00 N ATOM 748 CA LYS A 62 17.264 23.476 -14.174 1.00 0.00 C ATOM 749 C LYS A 62 17.983 22.171 -13.833 1.00 0.00 C ATOM 750 O LYS A 62 18.825 21.703 -14.601 1.00 0.00 O ATOM 751 CB LYS A 62 17.221 24.404 -12.954 1.00 0.00 C ATOM 752 CG LYS A 62 16.787 25.834 -13.262 1.00 0.00 C ATOM 753 CD LYS A 62 17.959 26.681 -13.755 1.00 0.00 C ATOM 754 CE LYS A 62 18.846 27.123 -12.606 1.00 0.00 C ATOM 755 NZ LYS A 62 18.243 28.242 -11.832 1.00 0.00 N ATOM 0 H LYS A 62 15.205 23.285 -13.907 1.00 0.00 H new ATOM 0 HA LYS A 62 17.820 23.968 -14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.539 23.982 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.210 24.428 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.002 25.822 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.361 26.287 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.548 26.108 -14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.580 27.557 -14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.025 26.278 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.816 27.433 -12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.741 28.345 -10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.328 29.125 -12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.238 28.040 -11.655 1.00 0.00 H new ATOM 769 N GLU A 63 17.624 21.575 -12.693 1.00 0.00 N ATOM 770 CA GLU A 63 18.235 20.315 -12.244 1.00 0.00 C ATOM 771 C GLU A 63 17.609 19.841 -10.936 1.00 0.00 C ATOM 772 O GLU A 63 17.485 18.657 -10.690 1.00 0.00 O ATOM 773 CB GLU A 63 19.748 20.477 -12.062 1.00 0.00 C ATOM 774 CG GLU A 63 20.458 19.204 -11.624 1.00 0.00 C ATOM 775 CD GLU A 63 21.952 19.382 -11.507 1.00 0.00 C ATOM 776 OE1 GLU A 63 22.683 18.823 -12.342 1.00 0.00 O ATOM 777 OE2 GLU A 63 22.400 20.090 -10.582 1.00 0.00 O ATOM 0 H GLU A 63 16.913 21.943 -12.061 1.00 0.00 H new ATOM 0 HA GLU A 63 18.050 19.566 -13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.182 20.818 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.933 21.257 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.058 18.882 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.246 18.410 -12.340 1.00 0.00 H new ATOM 784 N ASP A 64 17.218 20.772 -10.110 1.00 0.00 N ATOM 785 CA ASP A 64 16.620 20.451 -8.810 1.00 0.00 C ATOM 786 C ASP A 64 15.095 20.186 -8.945 1.00 0.00 C ATOM 787 O ASP A 64 14.312 20.518 -8.058 1.00 0.00 O ATOM 788 CB ASP A 64 16.890 21.615 -7.852 1.00 0.00 C ATOM 789 CG ASP A 64 16.973 21.196 -6.407 1.00 0.00 C ATOM 790 OD1 ASP A 64 17.923 20.453 -6.052 1.00 0.00 O ATOM 791 OD2 ASP A 64 16.125 21.642 -5.610 1.00 0.00 O ATOM 0 H ASP A 64 17.297 21.771 -10.301 1.00 0.00 H new ATOM 0 HA ASP A 64 17.069 19.539 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.824 22.100 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.099 22.357 -7.962 1.00 0.00 H new ATOM 796 N CYS A 65 14.700 19.564 -10.059 1.00 0.00 N ATOM 797 CA CYS A 65 13.286 19.266 -10.343 1.00 0.00 C ATOM 798 C CYS A 65 12.852 17.961 -9.667 1.00 0.00 C ATOM 799 O CYS A 65 13.410 16.897 -9.944 1.00 0.00 O ATOM 800 CB CYS A 65 13.061 19.171 -11.870 1.00 0.00 C ATOM 801 SG CYS A 65 11.372 18.725 -12.377 1.00 0.00 S ATOM 0 H CYS A 65 15.343 19.253 -10.787 1.00 0.00 H new ATOM 0 HA CYS A 65 12.680 20.077 -9.940 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.317 20.131 -12.319 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.752 18.434 -12.278 1.00 0.00 H new ATOM 806 N ARG A 66 11.850 18.057 -8.781 1.00 0.00 N ATOM 807 CA ARG A 66 11.307 16.887 -8.060 1.00 0.00 C ATOM 808 C ARG A 66 10.255 16.163 -8.898 1.00 0.00 C ATOM 809 O ARG A 66 9.590 15.239 -8.419 1.00 0.00 O ATOM 810 CB ARG A 66 10.683 17.318 -6.715 1.00 0.00 C ATOM 811 CG ARG A 66 11.669 17.421 -5.550 1.00 0.00 C ATOM 812 CD ARG A 66 11.820 16.086 -4.802 1.00 0.00 C ATOM 813 NE ARG A 66 10.586 15.699 -4.132 1.00 0.00 N ATOM 814 CZ ARG A 66 10.476 15.493 -2.823 1.00 0.00 C ATOM 815 NH1 ARG A 66 11.542 15.598 -2.030 1.00 0.00 N ATOM 816 NH2 ARG A 66 9.302 15.170 -2.305 1.00 0.00 N ATOM 0 H ARG A 66 11.394 18.938 -8.543 1.00 0.00 H new ATOM 0 HA ARG A 66 12.136 16.205 -7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.200 18.286 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.902 16.606 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.642 17.738 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.330 18.189 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.112 15.306 -5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.622 16.169 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 66 9.751 15.578 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.451 15.838 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.449 15.438 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.485 15.080 -2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.214 15.011 -1.301 1.00 0.00 H new ATOM 830 N CYS A 67 10.098 16.582 -10.136 1.00 0.00 N ATOM 831 CA CYS A 67 9.127 15.977 -11.010 1.00 0.00 C ATOM 832 C CYS A 67 9.754 14.850 -11.805 1.00 0.00 C ATOM 833 O CYS A 67 10.793 15.014 -12.438 1.00 0.00 O ATOM 834 CB CYS A 67 8.520 17.012 -11.943 1.00 0.00 C ATOM 835 SG CYS A 67 7.062 16.423 -12.813 1.00 0.00 S ATOM 0 H CYS A 67 10.634 17.341 -10.556 1.00 0.00 H new ATOM 0 HA CYS A 67 8.329 15.563 -10.394 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.256 17.899 -11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.270 17.317 -12.672 1.00 0.00 H new ATOM 840 N GLN A 68 9.113 13.709 -11.762 1.00 0.00 N ATOM 841 CA GLN A 68 9.584 12.524 -12.451 1.00 0.00 C ATOM 842 C GLN A 68 8.880 12.368 -13.794 1.00 0.00 C ATOM 843 O GLN A 68 9.125 11.411 -14.525 1.00 0.00 O ATOM 844 CB GLN A 68 9.328 11.275 -11.595 1.00 0.00 C ATOM 845 CG GLN A 68 7.844 11.014 -11.305 1.00 0.00 C ATOM 846 CD GLN A 68 7.233 11.961 -10.291 1.00 0.00 C ATOM 847 OE1 GLN A 68 8.027 12.424 -9.348 1.00 0.00 O flip ATOM 848 NE2 GLN A 68 6.053 12.279 -10.362 1.00 0.00 N flip ATOM 0 H GLN A 68 8.244 13.571 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 68 10.655 12.634 -12.621 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.747 10.406 -12.103 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.860 11.379 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.285 11.088 -12.238 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.730 9.991 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.467 11.901 -11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.656 12.922 -9.677 1.00 0.00 H new ATOM 857 N SER A 69 8.015 13.314 -14.117 1.00 0.00 N ATOM 858 CA SER A 69 7.248 13.241 -15.331 1.00 0.00 C ATOM 859 C SER A 69 8.102 13.666 -16.504 1.00 0.00 C ATOM 860 O SER A 69 8.116 13.011 -17.548 1.00 0.00 O ATOM 861 CB SER A 69 5.996 14.126 -15.228 1.00 0.00 C ATOM 862 OG SER A 69 5.158 13.970 -16.360 1.00 0.00 O ATOM 0 H SER A 69 7.832 14.141 -13.548 1.00 0.00 H new ATOM 0 HA SER A 69 6.926 12.211 -15.485 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.441 13.871 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.294 15.170 -15.135 1.00 0.00 H new ATOM 0 HG SER A 69 4.369 14.544 -16.265 1.00 0.00 H new ATOM 868 N CYS A 70 8.830 14.747 -16.327 1.00 0.00 N ATOM 869 CA CYS A 70 9.658 15.265 -17.381 1.00 0.00 C ATOM 870 C CYS A 70 11.102 14.797 -17.242 1.00 0.00 C ATOM 871 O CYS A 70 11.765 14.517 -18.249 1.00 0.00 O ATOM 872 CB CYS A 70 9.587 16.769 -17.392 1.00 0.00 C ATOM 873 SG CYS A 70 10.134 17.516 -15.865 1.00 0.00 S ATOM 0 H CYS A 70 8.862 15.282 -15.459 1.00 0.00 H new ATOM 0 HA CYS A 70 9.282 14.881 -18.329 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.197 17.148 -18.212 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.560 17.075 -17.590 1.00 0.00 H new ATOM 878 N SER A 71 11.588 14.721 -15.998 1.00 0.00 N ATOM 879 CA SER A 71 12.947 14.260 -15.732 1.00 0.00 C ATOM 880 C SER A 71 13.166 12.866 -16.312 1.00 0.00 C ATOM 881 O SER A 71 12.211 12.100 -16.490 1.00 0.00 O ATOM 882 CB SER A 71 13.232 14.271 -14.231 1.00 0.00 C ATOM 883 OG SER A 71 13.098 15.583 -13.699 1.00 0.00 O ATOM 0 H SER A 71 11.058 14.973 -15.164 1.00 0.00 H new ATOM 0 HA SER A 71 13.643 14.944 -16.218 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.545 13.596 -13.721 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.240 13.900 -14.045 1.00 0.00 H new ATOM 0 HG SER A 71 12.332 15.612 -13.089 1.00 0.00 H new ATOM 889 N THR A 72 14.413 12.524 -16.594 1.00 0.00 N ATOM 890 CA THR A 72 14.686 11.260 -17.249 1.00 0.00 C ATOM 891 C THR A 72 14.567 10.087 -16.281 1.00 0.00 C ATOM 892 O THR A 72 15.053 10.147 -15.143 1.00 0.00 O ATOM 893 CB THR A 72 16.053 11.262 -17.992 1.00 0.00 C ATOM 894 OG1 THR A 72 16.199 10.067 -18.771 1.00 0.00 O ATOM 895 CG2 THR A 72 17.215 11.385 -17.025 1.00 0.00 C ATOM 0 H THR A 72 15.234 13.091 -16.384 1.00 0.00 H new ATOM 0 HA THR A 72 13.919 11.129 -18.012 1.00 0.00 H new ATOM 0 HB THR A 72 16.065 12.130 -18.651 1.00 0.00 H new ATOM 0 HG1 THR A 72 17.062 10.082 -19.234 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.153 11.383 -17.581 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.126 12.317 -16.466 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.202 10.544 -16.332 1.00 0.00 H new ATOM 903 N ALA A 73 13.878 9.040 -16.745 1.00 0.00 N ATOM 904 CA ALA A 73 13.605 7.844 -15.962 1.00 0.00 C ATOM 905 C ALA A 73 14.842 7.298 -15.291 1.00 0.00 C ATOM 906 O ALA A 73 15.855 7.017 -15.936 1.00 0.00 O ATOM 907 CB ALA A 73 12.967 6.777 -16.835 1.00 0.00 C ATOM 0 H ALA A 73 13.492 9.005 -17.688 1.00 0.00 H new ATOM 0 HA ALA A 73 12.911 8.130 -15.172 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.768 5.888 -16.236 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.031 7.155 -17.246 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.644 6.521 -17.650 1.00 0.00 H new ATOM 913 N CYS A 74 14.750 7.171 -13.993 1.00 0.00 N ATOM 914 CA CYS A 74 15.818 6.629 -13.179 1.00 0.00 C ATOM 915 C CYS A 74 16.038 5.146 -13.433 1.00 0.00 C ATOM 916 O CYS A 74 15.272 4.495 -14.145 1.00 0.00 O ATOM 917 CB CYS A 74 15.522 6.860 -11.713 1.00 0.00 C ATOM 918 SG CYS A 74 15.572 8.583 -11.242 1.00 0.00 S ATOM 0 H CYS A 74 13.924 7.443 -13.461 1.00 0.00 H new ATOM 0 HA CYS A 74 16.734 7.150 -13.457 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.537 6.456 -11.481 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.243 6.306 -11.113 1.00 0.00 H new ATOM 923 N LYS A 75 17.083 4.625 -12.831 1.00 0.00 N ATOM 924 CA LYS A 75 17.467 3.243 -12.995 1.00 0.00 C ATOM 925 C LYS A 75 17.132 2.411 -11.761 1.00 0.00 C ATOM 926 O LYS A 75 17.564 1.264 -11.637 1.00 0.00 O ATOM 927 CB LYS A 75 18.962 3.135 -13.323 1.00 0.00 C ATOM 928 CG LYS A 75 19.862 4.090 -12.542 1.00 0.00 C ATOM 929 CD LYS A 75 19.833 5.491 -13.147 1.00 0.00 C ATOM 930 CE LYS A 75 20.594 5.559 -14.467 1.00 0.00 C ATOM 931 NZ LYS A 75 22.039 5.270 -14.296 1.00 0.00 N ATOM 0 H LYS A 75 17.695 5.153 -12.209 1.00 0.00 H new ATOM 0 HA LYS A 75 16.892 2.841 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.288 2.113 -13.131 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.100 3.319 -14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 75 19.537 4.133 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.884 3.712 -12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 75 18.799 5.795 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.267 6.200 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.163 4.846 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.473 6.550 -14.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.558 5.585 -15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.397 5.775 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.176 4.247 -14.168 1.00 0.00 H new ATOM 945 N CYS A 76 16.369 2.997 -10.855 1.00 0.00 N ATOM 946 CA CYS A 76 15.955 2.324 -9.639 1.00 0.00 C ATOM 947 C CYS A 76 15.190 1.050 -9.956 1.00 0.00 C ATOM 948 O CYS A 76 14.202 1.075 -10.689 1.00 0.00 O ATOM 949 CB CYS A 76 15.076 3.242 -8.820 1.00 0.00 C ATOM 950 SG CYS A 76 15.737 4.889 -8.627 1.00 0.00 S ATOM 0 H CYS A 76 16.020 3.951 -10.942 1.00 0.00 H new ATOM 0 HA CYS A 76 16.850 2.063 -9.073 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.095 3.307 -9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.927 2.802 -7.834 1.00 0.00 H new ATOM 955 N ALA A 77 15.650 -0.048 -9.400 1.00 0.00 N ATOM 956 CA ALA A 77 15.024 -1.334 -9.598 1.00 0.00 C ATOM 957 C ALA A 77 15.589 -2.340 -8.617 1.00 0.00 C ATOM 958 O ALA A 77 16.761 -2.251 -8.245 1.00 0.00 O ATOM 959 CB ALA A 77 15.231 -1.812 -11.026 1.00 0.00 C ATOM 0 H ALA A 77 16.472 -0.073 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 77 13.953 -1.234 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.753 -2.783 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.791 -1.094 -11.718 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.298 -1.903 -11.228 1.00 0.00 H new ATOM 965 N ALA A 78 14.745 -3.267 -8.174 1.00 0.00 N ATOM 966 CA ALA A 78 15.144 -4.337 -7.248 1.00 0.00 C ATOM 967 C ALA A 78 15.761 -3.792 -5.956 1.00 0.00 C ATOM 968 O ALA A 78 16.614 -4.432 -5.342 1.00 0.00 O ATOM 969 CB ALA A 78 16.099 -5.301 -7.937 1.00 0.00 C ATOM 0 H ALA A 78 13.762 -3.303 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 78 14.239 -4.874 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.387 -6.088 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.607 -5.744 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.989 -4.762 -8.262 1.00 0.00 H new ATOM 975 N GLY A 79 15.308 -2.625 -5.537 1.00 0.00 N ATOM 976 CA GLY A 79 15.821 -2.029 -4.319 1.00 0.00 C ATOM 977 C GLY A 79 17.093 -1.234 -4.541 1.00 0.00 C ATOM 978 O GLY A 79 18.035 -1.330 -3.760 1.00 0.00 O ATOM 0 H GLY A 79 14.594 -2.077 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.060 -1.376 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.013 -2.815 -3.589 1.00 0.00 H new ATOM 982 N SER A 80 17.126 -0.445 -5.605 1.00 0.00 N ATOM 983 CA SER A 80 18.296 0.372 -5.901 1.00 0.00 C ATOM 984 C SER A 80 18.016 1.849 -5.607 1.00 0.00 C ATOM 985 O SER A 80 18.835 2.721 -5.904 1.00 0.00 O ATOM 986 CB SER A 80 18.731 0.183 -7.361 1.00 0.00 C ATOM 987 OG SER A 80 19.952 0.859 -7.637 1.00 0.00 O ATOM 0 H SER A 80 16.362 -0.353 -6.274 1.00 0.00 H new ATOM 0 HA SER A 80 19.111 0.046 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.848 -0.880 -7.571 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.951 0.555 -8.025 1.00 0.00 H new ATOM 0 HG SER A 80 19.975 1.707 -7.146 1.00 0.00 H new ATOM 993 N CYS A 81 16.868 2.130 -5.015 1.00 0.00 N ATOM 994 CA CYS A 81 16.530 3.494 -4.673 1.00 0.00 C ATOM 995 C CYS A 81 17.102 3.802 -3.286 1.00 0.00 C ATOM 996 O CYS A 81 16.377 3.849 -2.288 1.00 0.00 O ATOM 997 CB CYS A 81 15.028 3.700 -4.683 1.00 0.00 C ATOM 998 SG CYS A 81 14.539 5.320 -5.286 1.00 0.00 S ATOM 0 H CYS A 81 16.163 1.437 -4.765 1.00 0.00 H new ATOM 0 HA CYS A 81 16.958 4.171 -5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.567 2.933 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.643 3.564 -3.673 1.00 0.00 H new ATOM 1003 N LYS A 82 18.410 3.992 -3.241 1.00 0.00 N ATOM 1004 CA LYS A 82 19.165 4.146 -1.989 1.00 0.00 C ATOM 1005 C LYS A 82 18.913 5.473 -1.259 1.00 0.00 C ATOM 1006 O LYS A 82 19.621 5.801 -0.305 1.00 0.00 O ATOM 1007 CB LYS A 82 20.641 4.017 -2.281 1.00 0.00 C ATOM 1008 CG LYS A 82 21.158 5.076 -3.223 1.00 0.00 C ATOM 1009 CD LYS A 82 22.643 4.977 -3.357 1.00 0.00 C ATOM 1010 CE LYS A 82 23.208 6.127 -4.174 1.00 0.00 C ATOM 1011 NZ LYS A 82 24.685 6.071 -4.273 1.00 0.00 N ATOM 0 H LYS A 82 18.992 4.046 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 82 18.814 3.358 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.196 4.072 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.835 3.034 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.690 4.961 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.885 6.064 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.099 4.975 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.904 4.031 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.777 6.105 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.912 7.073 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.026 6.874 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 25.099 6.118 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.969 5.181 -4.730 1.00 0.00 H new ATOM 1025 N CYS A 83 17.933 6.222 -1.691 1.00 0.00 N ATOM 1026 CA CYS A 83 17.635 7.497 -1.064 1.00 0.00 C ATOM 1027 C CYS A 83 16.780 7.302 0.184 1.00 0.00 C ATOM 1028 O CYS A 83 16.816 8.117 1.109 1.00 0.00 O ATOM 1029 CB CYS A 83 16.910 8.376 -2.045 1.00 0.00 C ATOM 1030 SG CYS A 83 15.476 7.572 -2.743 1.00 0.00 S ATOM 0 H CYS A 83 17.325 5.978 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 83 18.572 7.968 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 83 16.602 9.296 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 83 17.591 8.660 -2.847 1.00 0.00 H new ATOM 1035 N GLY A 84 15.997 6.228 0.199 1.00 0.00 N ATOM 1036 CA GLY A 84 15.159 5.953 1.347 1.00 0.00 C ATOM 1037 C GLY A 84 13.689 5.885 0.995 1.00 0.00 C ATOM 1038 O GLY A 84 12.875 5.425 1.792 1.00 0.00 O ATOM 0 H GLY A 84 15.929 5.549 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.465 5.008 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.313 6.728 2.098 1.00 0.00 H new ATOM 1042 N LYS A 85 13.340 6.354 -0.194 1.00 0.00 N ATOM 1043 CA LYS A 85 11.954 6.305 -0.641 1.00 0.00 C ATOM 1044 C LYS A 85 11.603 4.892 -1.048 1.00 0.00 C ATOM 1045 O LYS A 85 10.521 4.388 -0.743 1.00 0.00 O ATOM 1046 CB LYS A 85 11.728 7.273 -1.804 1.00 0.00 C ATOM 1047 CG LYS A 85 12.087 8.710 -1.473 1.00 0.00 C ATOM 1048 CD LYS A 85 11.234 9.247 -0.336 1.00 0.00 C ATOM 1049 CE LYS A 85 11.883 10.451 0.312 1.00 0.00 C ATOM 1050 NZ LYS A 85 11.975 11.609 -0.610 1.00 0.00 N ATOM 0 H LYS A 85 13.990 6.769 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 85 11.305 6.610 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.320 6.946 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.682 7.228 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.140 8.770 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.952 9.333 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.249 9.521 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.083 8.466 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.311 10.737 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.883 10.182 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.380 12.423 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.585 11.363 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.025 11.853 -0.956 1.00 0.00 H new ATOM 1064 N GLY A 86 12.537 4.255 -1.727 1.00 0.00 N ATOM 1065 CA GLY A 86 12.352 2.879 -2.138 1.00 0.00 C ATOM 1066 C GLY A 86 11.302 2.725 -3.210 1.00 0.00 C ATOM 1067 O GLY A 86 10.593 1.720 -3.255 1.00 0.00 O ATOM 0 H GLY A 86 13.428 4.667 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.299 2.484 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.071 2.281 -1.272 1.00 0.00 H new ATOM 1071 N CYS A 87 11.207 3.717 -4.074 1.00 0.00 N ATOM 1072 CA CYS A 87 10.240 3.704 -5.157 1.00 0.00 C ATOM 1073 C CYS A 87 10.560 2.597 -6.152 1.00 0.00 C ATOM 1074 O CYS A 87 9.661 1.992 -6.736 1.00 0.00 O ATOM 1075 CB CYS A 87 10.244 5.055 -5.847 1.00 0.00 C ATOM 1076 SG CYS A 87 10.056 6.444 -4.709 1.00 0.00 S ATOM 0 H CYS A 87 11.794 4.551 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 87 9.249 3.509 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.178 5.170 -6.398 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.437 5.083 -6.579 1.00 0.00 H new ATOM 1081 N THR A 88 11.857 2.332 -6.318 1.00 0.00 N ATOM 1082 CA THR A 88 12.359 1.295 -7.220 1.00 0.00 C ATOM 1083 C THR A 88 11.724 1.383 -8.607 1.00 0.00 C ATOM 1084 O THR A 88 11.077 0.447 -9.076 1.00 0.00 O ATOM 1085 CB THR A 88 12.201 -0.137 -6.626 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.819 -0.433 -6.360 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.985 -0.253 -5.332 1.00 0.00 C ATOM 0 H THR A 88 12.595 2.836 -5.826 1.00 0.00 H new ATOM 0 HA THR A 88 13.427 1.484 -7.332 1.00 0.00 H new ATOM 0 HB THR A 88 12.584 -0.848 -7.359 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.276 -0.189 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.868 -1.257 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.040 -0.061 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.611 0.476 -4.613 1.00 0.00 H new ATOM 1095 N GLY A 89 11.899 2.524 -9.241 1.00 0.00 N ATOM 1096 CA GLY A 89 11.358 2.721 -10.567 1.00 0.00 C ATOM 1097 C GLY A 89 10.746 4.098 -10.738 1.00 0.00 C ATOM 1098 O GLY A 89 10.193 4.645 -9.789 1.00 0.00 O ATOM 0 H GLY A 89 12.408 3.323 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.149 2.583 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.601 1.962 -10.765 1.00 0.00 H new ATOM 1102 N PRO A 90 10.810 4.670 -11.956 1.00 0.00 N ATOM 1103 CA PRO A 90 10.296 6.027 -12.244 1.00 0.00 C ATOM 1104 C PRO A 90 8.792 6.163 -12.002 1.00 0.00 C ATOM 1105 O PRO A 90 8.304 7.241 -11.678 1.00 0.00 O ATOM 1106 CB PRO A 90 10.600 6.213 -13.737 1.00 0.00 C ATOM 1107 CG PRO A 90 10.754 4.831 -14.266 1.00 0.00 C ATOM 1108 CD PRO A 90 11.379 4.043 -13.158 1.00 0.00 C ATOM 0 HA PRO A 90 10.756 6.770 -11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.793 6.743 -14.243 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.508 6.798 -13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.789 4.410 -14.550 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.382 4.820 -15.157 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.126 2.985 -13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.467 4.113 -13.175 1.00 0.00 H new ATOM 1116 N ASP A 91 8.077 5.058 -12.151 1.00 0.00 N ATOM 1117 CA ASP A 91 6.622 5.041 -11.996 1.00 0.00 C ATOM 1118 C ASP A 91 6.187 5.466 -10.601 1.00 0.00 C ATOM 1119 O ASP A 91 5.242 6.241 -10.447 1.00 0.00 O ATOM 1120 CB ASP A 91 6.065 3.658 -12.321 1.00 0.00 C ATOM 1121 CG ASP A 91 6.169 3.329 -13.791 1.00 0.00 C ATOM 1122 OD1 ASP A 91 5.247 3.689 -14.548 1.00 0.00 O ATOM 1123 OD2 ASP A 91 7.173 2.712 -14.202 1.00 0.00 O ATOM 0 H ASP A 91 8.482 4.151 -12.381 1.00 0.00 H new ATOM 0 HA ASP A 91 6.217 5.767 -12.701 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.604 2.907 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.021 3.608 -12.013 1.00 0.00 H new ATOM 1128 N SER A 92 6.865 4.958 -9.592 1.00 0.00 N ATOM 1129 CA SER A 92 6.537 5.300 -8.217 1.00 0.00 C ATOM 1130 C SER A 92 7.497 6.341 -7.683 1.00 0.00 C ATOM 1131 O SER A 92 7.327 6.844 -6.570 1.00 0.00 O ATOM 1132 CB SER A 92 6.569 4.053 -7.328 1.00 0.00 C ATOM 1133 OG SER A 92 6.342 4.382 -5.965 1.00 0.00 O ATOM 0 H SER A 92 7.645 4.308 -9.694 1.00 0.00 H new ATOM 0 HA SER A 92 5.529 5.714 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.811 3.345 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.535 3.558 -7.428 1.00 0.00 H new ATOM 0 HG SER A 92 6.572 5.322 -5.813 1.00 0.00 H new ATOM 1139 N CYS A 93 8.500 6.658 -8.477 1.00 0.00 N ATOM 1140 CA CYS A 93 9.510 7.614 -8.091 1.00 0.00 C ATOM 1141 C CYS A 93 8.892 8.979 -7.883 1.00 0.00 C ATOM 1142 O CYS A 93 8.054 9.413 -8.661 1.00 0.00 O ATOM 1143 CB CYS A 93 10.596 7.684 -9.154 1.00 0.00 C ATOM 1144 SG CYS A 93 12.265 7.630 -8.500 1.00 0.00 S ATOM 0 H CYS A 93 8.635 6.259 -9.406 1.00 0.00 H new ATOM 0 HA CYS A 93 9.957 7.290 -7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 93 10.463 6.855 -9.849 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.471 8.603 -9.726 1.00 0.00 H new ATOM 1149 N LYS A 94 9.289 9.635 -6.820 1.00 0.00 N ATOM 1150 CA LYS A 94 8.770 10.951 -6.493 1.00 0.00 C ATOM 1151 C LYS A 94 9.908 11.867 -6.122 1.00 0.00 C ATOM 1152 O LYS A 94 9.708 12.917 -5.508 1.00 0.00 O ATOM 1153 CB LYS A 94 7.778 10.848 -5.336 1.00 0.00 C ATOM 1154 CG LYS A 94 6.554 10.009 -5.660 1.00 0.00 C ATOM 1155 CD LYS A 94 5.667 9.813 -4.448 1.00 0.00 C ATOM 1156 CE LYS A 94 6.354 8.985 -3.370 1.00 0.00 C ATOM 1157 NZ LYS A 94 5.447 8.707 -2.228 1.00 0.00 N ATOM 0 H LYS A 94 9.977 9.279 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 94 8.253 11.359 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.284 10.419 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.457 11.850 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.983 10.491 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.870 9.037 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.391 10.785 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.743 9.321 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.698 8.044 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.237 9.514 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.950 8.141 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.138 9.605 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.616 8.180 -2.565 1.00 0.00 H new ATOM 1171 N CYS A 95 11.091 11.471 -6.517 1.00 0.00 N ATOM 1172 CA CYS A 95 12.291 12.193 -6.193 1.00 0.00 C ATOM 1173 C CYS A 95 12.680 13.144 -7.296 1.00 0.00 C ATOM 1174 O CYS A 95 12.015 13.236 -8.333 1.00 0.00 O ATOM 1175 CB CYS A 95 13.415 11.210 -5.954 1.00 0.00 C ATOM 1176 SG CYS A 95 12.969 9.892 -4.826 1.00 0.00 S ATOM 0 H CYS A 95 11.248 10.633 -7.076 1.00 0.00 H new ATOM 0 HA CYS A 95 12.104 12.780 -5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.719 10.777 -6.907 1.00 0.00 H new ATOM 0 HB3 CYS A 95 14.278 11.744 -5.556 1.00 0.00 H new ATOM 1181 N ASP A 96 13.755 13.852 -7.061 1.00 0.00 N ATOM 1182 CA ASP A 96 14.289 14.776 -8.015 1.00 0.00 C ATOM 1183 C ASP A 96 15.467 14.167 -8.722 1.00 0.00 C ATOM 1184 O ASP A 96 16.001 13.141 -8.303 1.00 0.00 O ATOM 1185 CB ASP A 96 14.712 16.068 -7.328 1.00 0.00 C ATOM 1186 CG ASP A 96 15.708 15.843 -6.221 1.00 0.00 C ATOM 1187 OD1 ASP A 96 16.852 16.288 -6.361 1.00 0.00 O ATOM 1188 OD2 ASP A 96 15.340 15.227 -5.195 1.00 0.00 O ATOM 0 H ASP A 96 14.286 13.799 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 96 13.512 15.004 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.144 16.742 -8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.830 16.563 -6.922 1.00 0.00 H new ATOM 1193 N ARG A 97 15.899 14.813 -9.773 1.00 0.00 N ATOM 1194 CA ARG A 97 17.010 14.310 -10.563 1.00 0.00 C ATOM 1195 C ARG A 97 18.353 14.676 -9.941 1.00 0.00 C ATOM 1196 O ARG A 97 19.408 14.472 -10.541 1.00 0.00 O ATOM 1197 CB ARG A 97 16.945 14.824 -11.986 1.00 0.00 C ATOM 1198 CG ARG A 97 16.705 16.302 -12.084 1.00 0.00 C ATOM 1199 CD ARG A 97 17.171 16.838 -13.408 1.00 0.00 C ATOM 1200 NE ARG A 97 18.631 16.780 -13.550 1.00 0.00 N ATOM 1201 CZ ARG A 97 19.280 16.892 -14.718 1.00 0.00 C ATOM 1202 NH1 ARG A 97 18.601 17.082 -15.845 1.00 0.00 N ATOM 1203 NH2 ARG A 97 20.606 16.813 -14.756 1.00 0.00 N ATOM 0 H ARG A 97 15.503 15.691 -10.108 1.00 0.00 H new ATOM 0 HA ARG A 97 16.924 13.223 -10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.879 14.582 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.150 14.300 -12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.643 16.510 -11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.229 16.813 -11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.707 16.267 -14.212 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.838 17.870 -13.517 1.00 0.00 H new ATOM 0 HE ARG A 97 19.188 16.646 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.583 17.143 -15.823 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.098 17.167 -16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.133 16.667 -13.895 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.097 16.899 -15.646 1.00 0.00 H new ATOM 1217 N SER A 98 18.310 15.218 -8.752 1.00 0.00 N ATOM 1218 CA SER A 98 19.506 15.589 -8.044 1.00 0.00 C ATOM 1219 C SER A 98 19.565 14.819 -6.728 1.00 0.00 C ATOM 1220 O SER A 98 20.367 15.122 -5.842 1.00 0.00 O ATOM 1221 CB SER A 98 19.510 17.107 -7.802 1.00 0.00 C ATOM 1222 OG SER A 98 20.728 17.547 -7.221 1.00 0.00 O ATOM 0 H SER A 98 17.445 15.414 -8.248 1.00 0.00 H new ATOM 0 HA SER A 98 20.388 15.338 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.350 17.626 -8.747 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.679 17.373 -7.148 1.00 0.00 H new ATOM 0 HG SER A 98 21.013 16.907 -6.535 1.00 0.00 H new ATOM 1228 N CYS A 99 18.724 13.795 -6.626 1.00 0.00 N ATOM 1229 CA CYS A 99 18.622 13.003 -5.420 1.00 0.00 C ATOM 1230 C CYS A 99 19.698 11.917 -5.361 1.00 0.00 C ATOM 1231 O CYS A 99 20.518 11.781 -6.276 1.00 0.00 O ATOM 1232 CB CYS A 99 17.232 12.384 -5.316 1.00 0.00 C ATOM 1233 SG CYS A 99 16.812 11.800 -3.662 1.00 0.00 S ATOM 0 H CYS A 99 18.100 13.497 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 99 18.783 13.667 -4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 99 16.493 13.121 -5.629 1.00 0.00 H new ATOM 0 HB3 CYS A 99 17.164 11.549 -6.013 1.00 0.00 H new ATOM 1238 N SER A 100 19.674 11.145 -4.283 1.00 0.00 N ATOM 1239 CA SER A 100 20.651 10.100 -4.041 1.00 0.00 C ATOM 1240 C SER A 100 20.470 8.914 -4.997 1.00 0.00 C ATOM 1241 O SER A 100 21.439 8.257 -5.358 1.00 0.00 O ATOM 1242 CB SER A 100 20.563 9.634 -2.577 1.00 0.00 C ATOM 1243 OG SER A 100 21.557 8.668 -2.273 1.00 0.00 O ATOM 0 H SER A 100 18.971 11.229 -3.549 1.00 0.00 H new ATOM 0 HA SER A 100 21.641 10.515 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.675 10.492 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 100 19.576 9.212 -2.388 1.00 0.00 H new ATOM 0 HG SER A 100 21.473 8.396 -1.335 1.00 0.00 H new ATOM 1249 N CYS A 101 19.234 8.648 -5.414 1.00 0.00 N ATOM 1250 CA CYS A 101 18.968 7.523 -6.313 1.00 0.00 C ATOM 1251 C CYS A 101 19.566 7.775 -7.697 1.00 0.00 C ATOM 1252 O CYS A 101 19.906 6.830 -8.423 1.00 0.00 O ATOM 1253 CB CYS A 101 17.469 7.259 -6.416 1.00 0.00 C ATOM 1254 SG CYS A 101 16.516 8.683 -6.956 1.00 0.00 S ATOM 0 H CYS A 101 18.410 9.187 -5.149 1.00 0.00 H new ATOM 0 HA CYS A 101 19.446 6.637 -5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.302 6.437 -7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.099 6.934 -5.443 1.00 0.00 H new ATOM 1259 N LYS A 102 19.698 9.051 -8.051 1.00 0.00 N ATOM 1260 CA LYS A 102 20.295 9.449 -9.325 1.00 0.00 C ATOM 1261 C LYS A 102 21.814 9.360 -9.268 1.00 0.00 C ATOM 1262 O LYS A 102 22.355 8.263 -9.581 1.00 0.00 O ATOM 1263 CB LYS A 102 19.868 10.870 -9.689 1.00 0.00 C ATOM 1264 CG LYS A 102 18.529 10.953 -10.400 1.00 0.00 C ATOM 1265 CD LYS A 102 18.675 10.668 -11.891 1.00 0.00 C ATOM 1266 CE LYS A 102 17.352 10.656 -12.598 1.00 0.00 C ATOM 1267 NZ LYS A 102 17.520 10.448 -14.044 1.00 0.00 N ATOM 0 H LYS A 102 19.397 9.833 -7.469 1.00 0.00 H new ATOM 0 HA LYS A 102 19.940 8.762 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.821 11.468 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 102 20.633 11.316 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.835 10.239 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.100 11.945 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.319 11.423 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.167 9.705 -12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.724 9.866 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.835 11.599 -12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.617 10.629 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.244 11.100 -14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.817 9.467 -14.221 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 15.020 7.447 -8.825 1.00 0.00 CD HETATM 1283 CD CD A 202 12.491 7.303 -5.839 1.00 0.00 CD HETATM 1284 CD CD A 203 15.423 9.485 -4.525 1.00 0.00 CD HETATM 1285 CD CD A 204 7.774 18.249 -14.759 1.00 0.00 CD HETATM 1286 CD CD A 205 10.370 20.933 -13.083 1.00 0.00 CD HETATM 1287 CD CD A 206 11.072 19.687 -16.946 1.00 0.00 CD HETATM 1288 CD CD A 207 8.568 24.272 3.959 1.00 0.00 CD HETATM 1289 CD CD A 208 6.949 26.902 1.341 1.00 0.00 CD HETATM 1290 CD CD A 209 7.577 22.749 0.095 1.00 0.00 CD