USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 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 Single : A 72 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 75 THR OG1 : rot 150:sc= -0.568 USER MOD Single : A 78 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.0059 (180deg=-0.125) USER MOD Single : A 85 ASN : amide:sc= -0.734 K(o=-0.73,f=-1.5) USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00993) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-4.7!) USER MOD Single : A 105 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 106 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.4!) USER MOD Single : A 111 SER OG : rot 66:sc= 0.661 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.823 -10.705 0.464 1.00 0.00 N ATOM 2 CA LEU A 71 17.090 -10.981 -0.940 1.00 0.00 C ATOM 3 C LEU A 71 17.784 -9.794 -1.597 1.00 0.00 C ATOM 4 O LEU A 71 17.624 -8.652 -1.168 1.00 0.00 O ATOM 5 CB LEU A 71 15.788 -11.302 -1.675 1.00 0.00 C ATOM 6 CG LEU A 71 15.858 -12.501 -2.621 1.00 0.00 C ATOM 7 CD1 LEU A 71 15.936 -13.799 -1.833 1.00 0.00 C ATOM 8 CD2 LEU A 71 14.656 -12.513 -3.555 1.00 0.00 C ATOM 0 HA LEU A 71 17.751 -11.846 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.008 -11.486 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.485 -10.425 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 71 16.762 -12.412 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.985 -14.641 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.828 -13.791 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.051 -13.897 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.722 -13.373 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.740 -12.578 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.645 -11.597 -4.145 1.00 0.00 H new ATOM 20 N SER A 72 18.557 -10.073 -2.638 1.00 0.00 N ATOM 21 CA SER A 72 19.277 -9.030 -3.358 1.00 0.00 C ATOM 22 C SER A 72 18.469 -8.534 -4.553 1.00 0.00 C ATOM 23 O SER A 72 18.035 -9.323 -5.392 1.00 0.00 O ATOM 24 CB SER A 72 20.641 -9.548 -3.824 1.00 0.00 C ATOM 25 OG SER A 72 20.729 -10.956 -3.685 1.00 0.00 O ATOM 0 H SER A 72 18.702 -11.014 -3.004 1.00 0.00 H new ATOM 0 HA SER A 72 19.430 -8.193 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.801 -9.272 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.431 -9.072 -3.243 1.00 0.00 H new ATOM 0 HG SER A 72 21.609 -11.261 -3.991 1.00 0.00 H new ATOM 31 N CYS A 73 18.269 -7.221 -4.621 1.00 0.00 N ATOM 32 CA CYS A 73 17.512 -6.617 -5.712 1.00 0.00 C ATOM 33 C CYS A 73 18.328 -5.535 -6.411 1.00 0.00 C ATOM 34 O CYS A 73 19.277 -4.994 -5.843 1.00 0.00 O ATOM 35 CB CYS A 73 16.207 -6.022 -5.181 1.00 0.00 C ATOM 36 SG CYS A 73 15.009 -5.580 -6.480 1.00 0.00 S ATOM 0 H CYS A 73 18.621 -6.555 -3.933 1.00 0.00 H new ATOM 0 HA CYS A 73 17.283 -7.397 -6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.743 -6.738 -4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.438 -5.132 -4.596 1.00 0.00 H new ATOM 41 N LEU A 74 17.952 -5.226 -7.647 1.00 0.00 N ATOM 42 CA LEU A 74 18.646 -4.208 -8.428 1.00 0.00 C ATOM 43 C LEU A 74 17.796 -2.946 -8.550 1.00 0.00 C ATOM 44 O LEU A 74 16.660 -2.995 -9.024 1.00 0.00 O ATOM 45 CB LEU A 74 18.985 -4.746 -9.819 1.00 0.00 C ATOM 46 CG LEU A 74 20.229 -5.634 -9.884 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.867 -7.083 -9.594 1.00 0.00 C ATOM 48 CD2 LEU A 74 20.899 -5.512 -11.244 1.00 0.00 C ATOM 0 H LEU A 74 17.169 -5.666 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 74 19.571 -3.954 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.132 -5.314 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.124 -3.902 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 74 20.933 -5.298 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.765 -7.699 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.432 -7.157 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.145 -7.432 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.782 -6.150 -11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.202 -5.822 -12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.194 -4.476 -11.413 1.00 0.00 H new ATOM 60 N THR A 75 18.352 -1.819 -8.120 1.00 0.00 N ATOM 61 CA THR A 75 17.647 -0.544 -8.180 1.00 0.00 C ATOM 62 C THR A 75 17.299 -0.183 -9.623 1.00 0.00 C ATOM 63 O THR A 75 17.780 -0.822 -10.559 1.00 0.00 O ATOM 64 CB THR A 75 18.502 0.562 -7.558 1.00 0.00 C ATOM 65 OG1 THR A 75 19.529 0.961 -8.448 1.00 0.00 O ATOM 66 CG2 THR A 75 19.158 0.152 -6.257 1.00 0.00 C ATOM 0 H THR A 75 19.291 -1.762 -7.725 1.00 0.00 H new ATOM 0 HA THR A 75 16.720 -0.640 -7.615 1.00 0.00 H new ATOM 0 HB THR A 75 17.812 1.381 -7.356 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.743 1.906 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.749 0.982 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.390 -0.116 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 75 19.808 -0.706 -6.432 1.00 0.00 H new ATOM 74 N PRO A 76 16.459 0.848 -9.827 1.00 0.00 N ATOM 75 CA PRO A 76 16.060 1.282 -11.169 1.00 0.00 C ATOM 76 C PRO A 76 17.267 1.544 -12.064 1.00 0.00 C ATOM 77 O PRO A 76 17.187 1.418 -13.286 1.00 0.00 O ATOM 78 CB PRO A 76 15.288 2.579 -10.911 1.00 0.00 C ATOM 79 CG PRO A 76 14.784 2.445 -9.517 1.00 0.00 C ATOM 80 CD PRO A 76 15.836 1.671 -8.773 1.00 0.00 C ATOM 0 HA PRO A 76 15.474 0.525 -11.690 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.932 3.452 -11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.468 2.700 -11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.624 3.423 -9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.827 1.924 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.561 2.332 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.401 1.055 -7.986 1.00 0.00 H new ATOM 88 N ASP A 77 18.387 1.902 -11.443 1.00 0.00 N ATOM 89 CA ASP A 77 19.616 2.173 -12.178 1.00 0.00 C ATOM 90 C ASP A 77 20.510 0.933 -12.232 1.00 0.00 C ATOM 91 O ASP A 77 21.648 1.000 -12.693 1.00 0.00 O ATOM 92 CB ASP A 77 20.373 3.338 -11.533 1.00 0.00 C ATOM 93 CG ASP A 77 20.369 4.582 -12.400 1.00 0.00 C ATOM 94 OD1 ASP A 77 19.271 5.111 -12.673 1.00 0.00 O ATOM 95 OD2 ASP A 77 21.463 5.027 -12.804 1.00 0.00 O ATOM 0 H ASP A 77 18.468 2.011 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 77 19.346 2.444 -13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.923 3.570 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.403 3.036 -11.340 1.00 0.00 H new ATOM 100 N ASN A 78 19.987 -0.197 -11.755 1.00 0.00 N ATOM 101 CA ASN A 78 20.735 -1.453 -11.748 1.00 0.00 C ATOM 102 C ASN A 78 21.829 -1.429 -10.689 1.00 0.00 C ATOM 103 O ASN A 78 22.922 -1.959 -10.897 1.00 0.00 O ATOM 104 CB ASN A 78 21.344 -1.728 -13.125 1.00 0.00 C ATOM 105 CG ASN A 78 20.358 -1.499 -14.252 1.00 0.00 C ATOM 106 OD1 ASN A 78 19.173 -1.811 -14.129 1.00 0.00 O ATOM 107 ND2 ASN A 78 20.842 -0.952 -15.361 1.00 0.00 N ATOM 0 H ASN A 78 19.046 -0.267 -11.368 1.00 0.00 H new ATOM 0 HA ASN A 78 20.037 -2.255 -11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.212 -1.085 -13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.700 -2.757 -13.162 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.225 -0.775 -16.154 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.831 -0.709 -15.420 1.00 0.00 H new ATOM 114 N LYS A 79 21.528 -0.821 -9.548 1.00 0.00 N ATOM 115 CA LYS A 79 22.484 -0.737 -8.452 1.00 0.00 C ATOM 116 C LYS A 79 22.184 -1.802 -7.399 1.00 0.00 C ATOM 117 O LYS A 79 21.025 -2.043 -7.065 1.00 0.00 O ATOM 118 CB LYS A 79 22.450 0.658 -7.819 1.00 0.00 C ATOM 119 CG LYS A 79 23.790 1.374 -7.861 1.00 0.00 C ATOM 120 CD LYS A 79 24.256 1.600 -9.290 1.00 0.00 C ATOM 121 CE LYS A 79 25.671 2.151 -9.335 1.00 0.00 C ATOM 122 NZ LYS A 79 26.395 1.725 -10.566 1.00 0.00 N ATOM 0 H LYS A 79 20.629 -0.379 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 79 23.482 -0.914 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.706 1.265 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.126 0.570 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 79 23.708 2.332 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 79 24.534 0.787 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 79 24.213 0.660 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 79 23.579 2.293 -9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 79 25.638 3.240 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.220 1.814 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 27.356 2.122 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 26.449 0.687 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 25.885 2.069 -11.405 1.00 0.00 H new ATOM 136 N PRO A 80 23.227 -2.459 -6.861 1.00 0.00 N ATOM 137 CA PRO A 80 23.059 -3.505 -5.846 1.00 0.00 C ATOM 138 C PRO A 80 22.192 -3.049 -4.677 1.00 0.00 C ATOM 139 O PRO A 80 22.456 -2.017 -4.059 1.00 0.00 O ATOM 140 CB PRO A 80 24.490 -3.778 -5.377 1.00 0.00 C ATOM 141 CG PRO A 80 25.346 -3.391 -6.530 1.00 0.00 C ATOM 142 CD PRO A 80 24.646 -2.240 -7.200 1.00 0.00 C ATOM 0 HA PRO A 80 22.552 -4.383 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.734 -3.194 -4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.628 -4.827 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 80 26.342 -3.100 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 80 25.472 -4.226 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 80 25.005 -1.280 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 80 24.807 -2.244 -8.278 1.00 0.00 H new ATOM 150 N GLY A 81 21.157 -3.828 -4.380 1.00 0.00 N ATOM 151 CA GLY A 81 20.265 -3.495 -3.286 1.00 0.00 C ATOM 152 C GLY A 81 19.700 -4.730 -2.612 1.00 0.00 C ATOM 153 O GLY A 81 20.187 -5.838 -2.826 1.00 0.00 O ATOM 0 H GLY A 81 20.920 -4.686 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.802 -2.896 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.446 -2.881 -3.661 1.00 0.00 H new ATOM 157 N LYS A 82 18.667 -4.539 -1.796 1.00 0.00 N ATOM 158 CA LYS A 82 18.038 -5.651 -1.094 1.00 0.00 C ATOM 159 C LYS A 82 16.519 -5.578 -1.208 1.00 0.00 C ATOM 160 O LYS A 82 15.948 -4.495 -1.330 1.00 0.00 O ATOM 161 CB LYS A 82 18.457 -5.653 0.378 1.00 0.00 C ATOM 162 CG LYS A 82 19.512 -6.696 0.708 1.00 0.00 C ATOM 163 CD LYS A 82 20.881 -6.297 0.175 1.00 0.00 C ATOM 164 CE LYS A 82 21.524 -7.428 -0.611 1.00 0.00 C ATOM 165 NZ LYS A 82 21.692 -8.655 0.216 1.00 0.00 N ATOM 0 H LYS A 82 18.250 -3.628 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 82 18.371 -6.579 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.839 -4.666 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.578 -5.829 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.567 -6.830 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.221 -7.656 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.782 -5.419 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.528 -6.016 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.911 -7.659 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.496 -7.105 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.388 -9.284 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.025 -8.391 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.780 -9.148 0.294 1.00 0.00 H new ATOM 179 N CYS A 83 15.871 -6.737 -1.167 1.00 0.00 N ATOM 180 CA CYS A 83 14.418 -6.806 -1.265 1.00 0.00 C ATOM 181 C CYS A 83 13.803 -7.215 0.070 1.00 0.00 C ATOM 182 O CYS A 83 14.172 -8.238 0.647 1.00 0.00 O ATOM 183 CB CYS A 83 14.007 -7.795 -2.358 1.00 0.00 C ATOM 184 SG CYS A 83 12.207 -8.042 -2.508 1.00 0.00 S ATOM 0 H CYS A 83 16.330 -7.642 -1.066 1.00 0.00 H new ATOM 0 HA CYS A 83 14.047 -5.815 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.395 -7.443 -3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.478 -8.757 -2.157 1.00 0.00 H new ATOM 189 N VAL A 84 12.866 -6.406 0.555 1.00 0.00 N ATOM 190 CA VAL A 84 12.200 -6.681 1.824 1.00 0.00 C ATOM 191 C VAL A 84 10.696 -6.462 1.715 1.00 0.00 C ATOM 192 O VAL A 84 10.226 -5.731 0.842 1.00 0.00 O ATOM 193 CB VAL A 84 12.757 -5.798 2.953 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.169 -6.223 3.320 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.722 -4.331 2.552 1.00 0.00 C ATOM 0 H VAL A 84 12.551 -5.555 0.089 1.00 0.00 H new ATOM 0 HA VAL A 84 12.394 -7.727 2.063 1.00 0.00 H new ATOM 0 HB VAL A 84 12.125 -5.926 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.544 -5.586 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.161 -7.260 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.816 -6.129 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.120 -3.722 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.327 -4.184 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.693 -4.034 2.347 1.00 0.00 H new ATOM 205 N ASN A 85 9.943 -7.101 2.607 1.00 0.00 N ATOM 206 CA ASN A 85 8.487 -6.979 2.616 1.00 0.00 C ATOM 207 C ASN A 85 8.053 -5.515 2.627 1.00 0.00 C ATOM 208 O ASN A 85 8.883 -4.608 2.574 1.00 0.00 O ATOM 209 CB ASN A 85 7.902 -7.707 3.828 1.00 0.00 C ATOM 210 CG ASN A 85 6.605 -8.422 3.502 1.00 0.00 C ATOM 211 OD1 ASN A 85 5.531 -8.016 3.944 1.00 0.00 O ATOM 212 ND2 ASN A 85 6.701 -9.495 2.726 1.00 0.00 N ATOM 0 H ASN A 85 10.318 -7.710 3.334 1.00 0.00 H new ATOM 0 HA ASN A 85 8.107 -7.439 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.628 -8.429 4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.727 -6.990 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.863 -10.019 2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.613 -9.796 2.382 1.00 0.00 H new ATOM 219 N ILE A 86 6.743 -5.295 2.691 1.00 0.00 N ATOM 220 CA ILE A 86 6.193 -3.942 2.702 1.00 0.00 C ATOM 221 C ILE A 86 5.851 -3.500 4.115 1.00 0.00 C ATOM 222 O ILE A 86 4.877 -2.786 4.342 1.00 0.00 O ATOM 223 CB ILE A 86 4.941 -3.853 1.813 1.00 0.00 C ATOM 224 CG1 ILE A 86 3.756 -4.586 2.457 1.00 0.00 C ATOM 225 CG2 ILE A 86 5.255 -4.440 0.450 1.00 0.00 C ATOM 226 CD1 ILE A 86 2.611 -3.670 2.833 1.00 0.00 C ATOM 0 H ILE A 86 6.043 -6.035 2.736 1.00 0.00 H new ATOM 0 HA ILE A 86 6.958 -3.275 2.304 1.00 0.00 H new ATOM 0 HB ILE A 86 4.658 -2.806 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.391 -5.346 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.103 -5.106 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.371 -4.380 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.070 -3.880 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.550 -5.483 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.809 -4.256 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.961 -2.925 3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.238 -3.169 1.940 1.00 0.00 H new ATOM 238 N LYS A 87 6.667 -3.940 5.059 1.00 0.00 N ATOM 239 CA LYS A 87 6.464 -3.603 6.463 1.00 0.00 C ATOM 240 C LYS A 87 7.775 -3.653 7.244 1.00 0.00 C ATOM 241 O LYS A 87 7.836 -4.222 8.334 1.00 0.00 O ATOM 242 CB LYS A 87 5.445 -4.555 7.092 1.00 0.00 C ATOM 243 CG LYS A 87 5.845 -6.018 7.006 1.00 0.00 C ATOM 244 CD LYS A 87 4.630 -6.931 7.025 1.00 0.00 C ATOM 245 CE LYS A 87 4.891 -8.188 7.837 1.00 0.00 C ATOM 246 NZ LYS A 87 5.989 -9.009 7.257 1.00 0.00 N ATOM 0 H LYS A 87 7.478 -4.532 4.880 1.00 0.00 H new ATOM 0 HA LYS A 87 6.082 -2.583 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.307 -4.286 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.482 -4.421 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.414 -6.187 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.501 -6.266 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.778 -6.396 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.363 -7.205 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.146 -7.912 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.980 -8.784 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.089 -9.889 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.766 -9.238 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.880 -8.474 7.296 1.00 0.00 H new ATOM 260 N LYS A 88 8.822 -3.050 6.687 1.00 0.00 N ATOM 261 CA LYS A 88 10.123 -3.029 7.348 1.00 0.00 C ATOM 262 C LYS A 88 11.042 -1.974 6.735 1.00 0.00 C ATOM 263 O LYS A 88 11.731 -1.250 7.453 1.00 0.00 O ATOM 264 CB LYS A 88 10.785 -4.406 7.268 1.00 0.00 C ATOM 265 CG LYS A 88 10.789 -5.000 5.869 1.00 0.00 C ATOM 266 CD LYS A 88 10.307 -6.441 5.873 1.00 0.00 C ATOM 267 CE LYS A 88 11.443 -7.410 6.156 1.00 0.00 C ATOM 268 NZ LYS A 88 10.942 -8.731 6.624 1.00 0.00 N ATOM 0 H LYS A 88 8.796 -2.573 5.786 1.00 0.00 H new ATOM 0 HA LYS A 88 9.958 -2.771 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.813 -4.327 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.267 -5.088 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.150 -4.404 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.797 -4.954 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.528 -6.563 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.858 -6.678 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.037 -7.546 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.104 -6.984 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.748 -9.363 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.396 -8.605 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.332 -9.150 5.893 1.00 0.00 H new ATOM 282 N CYS A 89 11.050 -1.891 5.409 1.00 0.00 N ATOM 283 CA CYS A 89 11.891 -0.923 4.711 1.00 0.00 C ATOM 284 C CYS A 89 11.579 0.500 5.170 1.00 0.00 C ATOM 285 O CYS A 89 10.418 0.909 5.213 1.00 0.00 O ATOM 286 CB CYS A 89 11.697 -1.039 3.197 1.00 0.00 C ATOM 287 SG CYS A 89 13.023 -0.258 2.219 1.00 0.00 S ATOM 0 H CYS A 89 10.486 -2.480 4.797 1.00 0.00 H new ATOM 0 HA CYS A 89 12.931 -1.144 4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.634 -2.094 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.744 -0.584 2.927 1.00 0.00 H new ATOM 292 N THR A 90 12.624 1.249 5.510 1.00 0.00 N ATOM 293 CA THR A 90 12.464 2.624 5.967 1.00 0.00 C ATOM 294 C THR A 90 11.757 3.472 4.916 1.00 0.00 C ATOM 295 O THR A 90 10.989 4.375 5.248 1.00 0.00 O ATOM 296 CB THR A 90 13.827 3.234 6.298 1.00 0.00 C ATOM 297 OG1 THR A 90 14.635 3.313 5.137 1.00 0.00 O ATOM 298 CG2 THR A 90 14.596 2.453 7.340 1.00 0.00 C ATOM 0 H THR A 90 13.591 0.926 5.477 1.00 0.00 H new ATOM 0 HA THR A 90 11.849 2.610 6.867 1.00 0.00 H new ATOM 0 HB THR A 90 13.611 4.225 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.502 3.707 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.553 2.940 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.020 2.416 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.770 1.439 6.980 1.00 0.00 H new ATOM 306 N HIS A 91 12.021 3.178 3.649 1.00 0.00 N ATOM 307 CA HIS A 91 11.411 3.917 2.550 1.00 0.00 C ATOM 308 C HIS A 91 9.891 3.813 2.602 1.00 0.00 C ATOM 309 O HIS A 91 9.182 4.770 2.290 1.00 0.00 O ATOM 310 CB HIS A 91 11.924 3.393 1.207 1.00 0.00 C ATOM 311 CG HIS A 91 11.568 4.272 0.049 1.00 0.00 C ATOM 312 ND1 HIS A 91 10.339 4.235 -0.575 1.00 0.00 N ATOM 313 CD2 HIS A 91 12.289 5.217 -0.603 1.00 0.00 C ATOM 314 CE1 HIS A 91 10.318 5.119 -1.557 1.00 0.00 C ATOM 315 NE2 HIS A 91 11.489 5.727 -1.594 1.00 0.00 N ATOM 0 H HIS A 91 12.653 2.433 3.357 1.00 0.00 H new ATOM 0 HA HIS A 91 11.689 4.966 2.653 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.008 3.291 1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.517 2.396 1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 91 13.304 5.513 -0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.485 5.311 -2.217 1.00 0.00 H new ATOM 0 HE2 HIS A 91 11.756 6.458 -2.253 1.00 0.00 H new ATOM 324 N LEU A 92 9.397 2.648 3.000 1.00 0.00 N ATOM 325 CA LEU A 92 7.960 2.422 3.096 1.00 0.00 C ATOM 326 C LEU A 92 7.365 3.218 4.252 1.00 0.00 C ATOM 327 O LEU A 92 6.267 3.763 4.146 1.00 0.00 O ATOM 328 CB LEU A 92 7.668 0.929 3.278 1.00 0.00 C ATOM 329 CG LEU A 92 7.079 0.232 2.050 1.00 0.00 C ATOM 330 CD1 LEU A 92 5.747 0.859 1.668 1.00 0.00 C ATOM 331 CD2 LEU A 92 8.054 0.297 0.884 1.00 0.00 C ATOM 0 H LEU A 92 9.969 1.845 3.261 1.00 0.00 H new ATOM 0 HA LEU A 92 7.498 2.762 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.593 0.424 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.977 0.808 4.112 1.00 0.00 H new ATOM 0 HG LEU A 92 6.906 -0.815 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.343 0.350 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.048 0.762 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.894 1.914 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.620 -0.203 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.257 1.339 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.985 -0.198 1.160 1.00 0.00 H new ATOM 343 N ALA A 93 8.103 3.282 5.355 1.00 0.00 N ATOM 344 CA ALA A 93 7.655 4.014 6.534 1.00 0.00 C ATOM 345 C ALA A 93 7.555 5.507 6.246 1.00 0.00 C ATOM 346 O ALA A 93 6.697 6.200 6.795 1.00 0.00 O ATOM 347 CB ALA A 93 8.595 3.761 7.703 1.00 0.00 C ATOM 0 H ALA A 93 9.014 2.836 5.457 1.00 0.00 H new ATOM 0 HA ALA A 93 6.661 3.654 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.247 4.314 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.612 2.695 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.600 4.092 7.440 1.00 0.00 H new ATOM 353 N GLU A 94 8.438 5.999 5.382 1.00 0.00 N ATOM 354 CA GLU A 94 8.450 7.412 5.023 1.00 0.00 C ATOM 355 C GLU A 94 7.227 7.771 4.187 1.00 0.00 C ATOM 356 O GLU A 94 6.640 8.841 4.354 1.00 0.00 O ATOM 357 CB GLU A 94 9.727 7.755 4.255 1.00 0.00 C ATOM 358 CG GLU A 94 10.216 9.175 4.491 1.00 0.00 C ATOM 359 CD GLU A 94 11.088 9.293 5.726 1.00 0.00 C ATOM 360 OE1 GLU A 94 11.979 8.437 5.908 1.00 0.00 O ATOM 361 OE2 GLU A 94 10.880 10.241 6.510 1.00 0.00 O ATOM 0 H GLU A 94 9.154 5.440 4.918 1.00 0.00 H new ATOM 0 HA GLU A 94 8.422 7.995 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.513 7.056 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.549 7.613 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.778 9.511 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.358 9.839 4.592 1.00 0.00 H new ATOM 368 N ILE A 95 6.848 6.871 3.290 1.00 0.00 N ATOM 369 CA ILE A 95 5.694 7.091 2.428 1.00 0.00 C ATOM 370 C ILE A 95 4.395 7.014 3.223 1.00 0.00 C ATOM 371 O ILE A 95 3.454 7.764 2.970 1.00 0.00 O ATOM 372 CB ILE A 95 5.643 6.064 1.279 1.00 0.00 C ATOM 373 CG1 ILE A 95 6.988 6.012 0.552 1.00 0.00 C ATOM 374 CG2 ILE A 95 4.523 6.407 0.307 1.00 0.00 C ATOM 375 CD1 ILE A 95 7.258 4.685 -0.125 1.00 0.00 C ATOM 0 H ILE A 95 7.323 5.981 3.140 1.00 0.00 H new ATOM 0 HA ILE A 95 5.801 8.090 2.005 1.00 0.00 H new ATOM 0 HB ILE A 95 5.440 5.080 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.019 6.805 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.786 6.216 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.502 5.672 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.569 6.397 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.696 7.398 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.228 4.720 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.260 3.890 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.481 4.488 -0.863 1.00 0.00 H new ATOM 387 N GLU A 96 4.356 6.101 4.187 1.00 0.00 N ATOM 388 CA GLU A 96 3.175 5.923 5.023 1.00 0.00 C ATOM 389 C GLU A 96 2.993 7.111 5.965 1.00 0.00 C ATOM 390 O GLU A 96 1.869 7.464 6.323 1.00 0.00 O ATOM 391 CB GLU A 96 3.287 4.630 5.832 1.00 0.00 C ATOM 392 CG GLU A 96 1.973 4.184 6.451 1.00 0.00 C ATOM 393 CD GLU A 96 1.731 2.695 6.294 1.00 0.00 C ATOM 394 OE1 GLU A 96 2.541 1.903 6.818 1.00 0.00 O ATOM 395 OE2 GLU A 96 0.730 2.322 5.646 1.00 0.00 O ATOM 0 H GLU A 96 5.128 5.473 4.409 1.00 0.00 H new ATOM 0 HA GLU A 96 2.304 5.861 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.661 3.837 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.023 4.769 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.969 4.439 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.153 4.733 5.988 1.00 0.00 H new ATOM 402 N GLU A 97 4.104 7.722 6.363 1.00 0.00 N ATOM 403 CA GLU A 97 4.066 8.868 7.264 1.00 0.00 C ATOM 404 C GLU A 97 3.806 10.159 6.496 1.00 0.00 C ATOM 405 O GLU A 97 3.154 11.073 7.000 1.00 0.00 O ATOM 406 CB GLU A 97 5.379 8.978 8.039 1.00 0.00 C ATOM 407 CG GLU A 97 5.524 7.943 9.143 1.00 0.00 C ATOM 408 CD GLU A 97 6.557 8.336 10.179 1.00 0.00 C ATOM 409 OE1 GLU A 97 7.763 8.296 9.860 1.00 0.00 O ATOM 410 OE2 GLU A 97 6.160 8.686 11.311 1.00 0.00 O ATOM 0 H GLU A 97 5.042 7.443 6.076 1.00 0.00 H new ATOM 0 HA GLU A 97 3.248 8.716 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.211 8.873 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.451 9.974 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.560 7.802 9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.802 6.985 8.703 1.00 0.00 H new ATOM 417 N ASP A 98 4.320 10.228 5.273 1.00 0.00 N ATOM 418 CA ASP A 98 4.143 11.410 4.436 1.00 0.00 C ATOM 419 C ASP A 98 2.999 11.210 3.441 1.00 0.00 C ATOM 420 O ASP A 98 2.587 10.081 3.176 1.00 0.00 O ATOM 421 CB ASP A 98 5.438 11.727 3.684 1.00 0.00 C ATOM 422 CG ASP A 98 6.345 12.659 4.463 1.00 0.00 C ATOM 423 OD1 ASP A 98 6.551 12.416 5.670 1.00 0.00 O ATOM 424 OD2 ASP A 98 6.848 13.634 3.865 1.00 0.00 O ATOM 0 H ASP A 98 4.862 9.481 4.839 1.00 0.00 H new ATOM 0 HA ASP A 98 3.892 12.249 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.969 10.799 3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.195 12.180 2.723 1.00 0.00 H new ATOM 429 N PRO A 99 2.473 12.312 2.879 1.00 0.00 N ATOM 430 CA PRO A 99 1.372 12.254 1.910 1.00 0.00 C ATOM 431 C PRO A 99 1.682 11.330 0.738 1.00 0.00 C ATOM 432 O PRO A 99 2.840 10.991 0.490 1.00 0.00 O ATOM 433 CB PRO A 99 1.240 13.701 1.428 1.00 0.00 C ATOM 434 CG PRO A 99 1.808 14.523 2.534 1.00 0.00 C ATOM 435 CD PRO A 99 2.907 13.696 3.140 1.00 0.00 C ATOM 0 HA PRO A 99 0.460 11.856 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 99 1.785 13.859 0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.199 13.961 1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.194 15.470 2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.045 14.762 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.872 13.909 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.014 13.889 4.207 1.00 0.00 H new ATOM 443 N ILE A 100 0.640 10.925 0.018 1.00 0.00 N ATOM 444 CA ILE A 100 0.801 10.042 -1.129 1.00 0.00 C ATOM 445 C ILE A 100 0.443 10.761 -2.427 1.00 0.00 C ATOM 446 O ILE A 100 -0.380 11.677 -2.435 1.00 0.00 O ATOM 447 CB ILE A 100 -0.075 8.780 -0.988 1.00 0.00 C ATOM 448 CG1 ILE A 100 0.148 7.840 -2.174 1.00 0.00 C ATOM 449 CG2 ILE A 100 -1.545 9.162 -0.874 1.00 0.00 C ATOM 450 CD1 ILE A 100 -0.335 6.428 -1.925 1.00 0.00 C ATOM 0 H ILE A 100 -0.325 11.195 0.210 1.00 0.00 H new ATOM 0 HA ILE A 100 1.849 9.744 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 100 0.215 8.257 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.365 8.242 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.211 7.815 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.149 8.260 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.690 9.793 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.850 9.707 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.145 5.817 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.196 6.007 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.405 6.441 -1.716 1.00 0.00 H new ATOM 462 N GLY A 101 1.067 10.339 -3.522 1.00 0.00 N ATOM 463 CA GLY A 101 0.802 10.953 -4.809 1.00 0.00 C ATOM 464 C GLY A 101 1.021 9.995 -5.964 1.00 0.00 C ATOM 465 O GLY A 101 1.462 8.863 -5.766 1.00 0.00 O ATOM 0 H GLY A 101 1.751 9.583 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.226 11.315 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.448 11.822 -4.934 1.00 0.00 H new ATOM 469 N GLU A 102 0.709 10.449 -7.174 1.00 0.00 N ATOM 470 CA GLU A 102 0.875 9.624 -8.365 1.00 0.00 C ATOM 471 C GLU A 102 2.351 9.349 -8.638 1.00 0.00 C ATOM 472 O GLU A 102 2.715 8.277 -9.120 1.00 0.00 O ATOM 473 CB GLU A 102 0.240 10.307 -9.577 1.00 0.00 C ATOM 474 CG GLU A 102 -1.222 10.671 -9.374 1.00 0.00 C ATOM 475 CD GLU A 102 -1.750 11.591 -10.455 1.00 0.00 C ATOM 476 OE1 GLU A 102 -1.526 12.817 -10.354 1.00 0.00 O ATOM 477 OE2 GLU A 102 -2.388 11.089 -11.405 1.00 0.00 O ATOM 0 H GLU A 102 0.340 11.383 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 102 0.374 8.672 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.802 11.212 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.325 9.648 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.820 9.760 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.341 11.152 -8.403 1.00 0.00 H new ATOM 484 N ASP A 103 3.195 10.326 -8.325 1.00 0.00 N ATOM 485 CA ASP A 103 4.631 10.191 -8.535 1.00 0.00 C ATOM 486 C ASP A 103 5.231 9.183 -7.559 1.00 0.00 C ATOM 487 O ASP A 103 6.183 8.477 -7.887 1.00 0.00 O ATOM 488 CB ASP A 103 5.321 11.546 -8.373 1.00 0.00 C ATOM 489 CG ASP A 103 5.099 12.149 -7.000 1.00 0.00 C ATOM 490 OD1 ASP A 103 5.882 11.830 -6.078 1.00 0.00 O ATOM 491 OD2 ASP A 103 4.143 12.936 -6.844 1.00 0.00 O ATOM 0 H ASP A 103 2.909 11.220 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 103 4.792 9.828 -9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.391 11.429 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.949 12.233 -9.133 1.00 0.00 H new ATOM 496 N GLU A 104 4.664 9.122 -6.358 1.00 0.00 N ATOM 497 CA GLU A 104 5.140 8.201 -5.333 1.00 0.00 C ATOM 498 C GLU A 104 4.710 6.771 -5.645 1.00 0.00 C ATOM 499 O GLU A 104 5.414 5.815 -5.321 1.00 0.00 O ATOM 500 CB GLU A 104 4.616 8.616 -3.959 1.00 0.00 C ATOM 501 CG GLU A 104 5.560 8.274 -2.817 1.00 0.00 C ATOM 502 CD GLU A 104 6.672 9.293 -2.655 1.00 0.00 C ATOM 503 OE1 GLU A 104 6.430 10.340 -2.021 1.00 0.00 O ATOM 504 OE2 GLU A 104 7.785 9.042 -3.164 1.00 0.00 O ATOM 0 H GLU A 104 3.874 9.700 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 104 6.229 8.240 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.434 9.691 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.656 8.130 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.993 8.210 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.996 7.291 -2.993 1.00 0.00 H new ATOM 511 N THR A 105 3.548 6.633 -6.277 1.00 0.00 N ATOM 512 CA THR A 105 3.024 5.321 -6.634 1.00 0.00 C ATOM 513 C THR A 105 3.799 4.725 -7.804 1.00 0.00 C ATOM 514 O THR A 105 3.980 3.510 -7.887 1.00 0.00 O ATOM 515 CB THR A 105 1.538 5.421 -6.990 1.00 0.00 C ATOM 516 OG1 THR A 105 0.889 6.365 -6.158 1.00 0.00 O ATOM 517 CG2 THR A 105 0.802 4.105 -6.857 1.00 0.00 C ATOM 0 H THR A 105 2.952 7.414 -6.552 1.00 0.00 H new ATOM 0 HA THR A 105 3.141 4.664 -5.772 1.00 0.00 H new ATOM 0 HB THR A 105 1.508 5.729 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.069 7.270 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.245 4.245 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.251 3.368 -7.523 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.870 3.752 -5.828 1.00 0.00 H new ATOM 525 N THR A 106 4.256 5.588 -8.705 1.00 0.00 N ATOM 526 CA THR A 106 5.012 5.146 -9.870 1.00 0.00 C ATOM 527 C THR A 106 6.416 4.706 -9.471 1.00 0.00 C ATOM 528 O THR A 106 6.948 3.731 -10.001 1.00 0.00 O ATOM 529 CB THR A 106 5.092 6.264 -10.911 1.00 0.00 C ATOM 530 OG1 THR A 106 3.856 6.948 -11.006 1.00 0.00 O ATOM 531 CG2 THR A 106 5.450 5.770 -12.295 1.00 0.00 C ATOM 0 H THR A 106 4.116 6.597 -8.651 1.00 0.00 H new ATOM 0 HA THR A 106 4.492 4.293 -10.305 1.00 0.00 H new ATOM 0 HB THR A 106 5.885 6.926 -10.563 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.816 7.648 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.490 6.614 -12.984 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.423 5.279 -12.266 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.696 5.060 -12.634 1.00 0.00 H new ATOM 539 N TYR A 107 7.009 5.431 -8.531 1.00 0.00 N ATOM 540 CA TYR A 107 8.351 5.117 -8.056 1.00 0.00 C ATOM 541 C TYR A 107 8.337 3.855 -7.200 1.00 0.00 C ATOM 542 O TYR A 107 9.288 3.073 -7.213 1.00 0.00 O ATOM 543 CB TYR A 107 8.919 6.289 -7.252 1.00 0.00 C ATOM 544 CG TYR A 107 10.340 6.646 -7.625 1.00 0.00 C ATOM 545 CD1 TYR A 107 10.607 7.481 -8.704 1.00 0.00 C ATOM 546 CD2 TYR A 107 11.415 6.150 -6.897 1.00 0.00 C ATOM 547 CE1 TYR A 107 11.906 7.809 -9.047 1.00 0.00 C ATOM 548 CE2 TYR A 107 12.715 6.474 -7.235 1.00 0.00 C ATOM 549 CZ TYR A 107 12.955 7.303 -8.309 1.00 0.00 C ATOM 550 OH TYR A 107 14.250 7.628 -8.648 1.00 0.00 O ATOM 0 H TYR A 107 6.582 6.241 -8.082 1.00 0.00 H new ATOM 0 HA TYR A 107 8.988 4.942 -8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 107 8.283 7.162 -7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 107 8.882 6.043 -6.191 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.787 7.880 -9.283 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.231 5.501 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.098 8.458 -9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.539 6.079 -6.660 1.00 0.00 H new ATOM 0 HH TYR A 107 14.870 7.191 -8.028 1.00 0.00 H new ATOM 560 N LEU A 108 7.251 3.662 -6.459 1.00 0.00 N ATOM 561 CA LEU A 108 7.110 2.495 -5.598 1.00 0.00 C ATOM 562 C LEU A 108 6.877 1.235 -6.425 1.00 0.00 C ATOM 563 O LEU A 108 7.339 0.152 -6.066 1.00 0.00 O ATOM 564 CB LEU A 108 5.953 2.697 -4.616 1.00 0.00 C ATOM 565 CG LEU A 108 5.760 1.567 -3.602 1.00 0.00 C ATOM 566 CD1 LEU A 108 5.257 2.118 -2.278 1.00 0.00 C ATOM 567 CD2 LEU A 108 4.799 0.522 -4.147 1.00 0.00 C ATOM 0 H LEU A 108 6.455 4.300 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 108 8.036 2.373 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.116 3.628 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.031 2.816 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 108 6.725 1.090 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.126 1.300 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.982 2.829 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.302 2.621 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.673 -0.274 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.833 0.986 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.201 0.105 -5.070 1.00 0.00 H new ATOM 579 N LYS A 109 6.158 1.385 -7.531 1.00 0.00 N ATOM 580 CA LYS A 109 5.863 0.258 -8.410 1.00 0.00 C ATOM 581 C LYS A 109 7.120 -0.207 -9.141 1.00 0.00 C ATOM 582 O LYS A 109 7.265 -1.387 -9.458 1.00 0.00 O ATOM 583 CB LYS A 109 4.780 0.645 -9.422 1.00 0.00 C ATOM 584 CG LYS A 109 3.425 0.017 -9.133 1.00 0.00 C ATOM 585 CD LYS A 109 2.672 -0.305 -10.414 1.00 0.00 C ATOM 586 CE LYS A 109 1.362 0.464 -10.503 1.00 0.00 C ATOM 587 NZ LYS A 109 0.324 -0.094 -9.592 1.00 0.00 N ATOM 0 H LYS A 109 5.768 2.275 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 109 5.499 -0.566 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.674 1.730 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.104 0.348 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.563 -0.895 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.831 0.697 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.296 -0.062 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.470 -1.375 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.538 1.510 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.995 0.438 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.552 0.459 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.136 -1.085 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.662 -0.046 -8.610 1.00 0.00 H new ATOM 601 N ASN A 110 8.027 0.730 -9.401 1.00 0.00 N ATOM 602 CA ASN A 110 9.272 0.416 -10.092 1.00 0.00 C ATOM 603 C ASN A 110 10.277 -0.226 -9.140 1.00 0.00 C ATOM 604 O ASN A 110 11.151 -0.982 -9.563 1.00 0.00 O ATOM 605 CB ASN A 110 9.872 1.683 -10.704 1.00 0.00 C ATOM 606 CG ASN A 110 9.447 1.884 -12.146 1.00 0.00 C ATOM 607 OD1 ASN A 110 9.256 0.922 -12.889 1.00 0.00 O ATOM 608 ND2 ASN A 110 9.298 3.141 -12.550 1.00 0.00 N ATOM 0 H ASN A 110 7.923 1.712 -9.144 1.00 0.00 H new ATOM 0 HA ASN A 110 9.047 -0.294 -10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.568 2.548 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.959 1.629 -10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.015 3.338 -13.510 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.467 3.909 -11.900 1.00 0.00 H new ATOM 615 N SER A 111 10.150 0.084 -7.853 1.00 0.00 N ATOM 616 CA SER A 111 11.050 -0.462 -6.844 1.00 0.00 C ATOM 617 C SER A 111 10.428 -1.676 -6.161 1.00 0.00 C ATOM 618 O SER A 111 10.578 -1.868 -4.954 1.00 0.00 O ATOM 619 CB SER A 111 11.390 0.606 -5.801 1.00 0.00 C ATOM 620 OG SER A 111 10.353 0.731 -4.843 1.00 0.00 O ATOM 0 H SER A 111 9.433 0.710 -7.485 1.00 0.00 H new ATOM 0 HA SER A 111 11.966 -0.777 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.323 0.346 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.550 1.564 -6.296 1.00 0.00 H new ATOM 0 HG SER A 111 10.288 -0.096 -4.322 1.00 0.00 H new ATOM 626 N VAL A 112 9.731 -2.495 -6.943 1.00 0.00 N ATOM 627 CA VAL A 112 9.087 -3.690 -6.417 1.00 0.00 C ATOM 628 C VAL A 112 9.906 -4.934 -6.739 1.00 0.00 C ATOM 629 O VAL A 112 10.734 -4.928 -7.649 1.00 0.00 O ATOM 630 CB VAL A 112 7.666 -3.862 -6.987 1.00 0.00 C ATOM 631 CG1 VAL A 112 6.927 -4.972 -6.257 1.00 0.00 C ATOM 632 CG2 VAL A 112 6.895 -2.552 -6.901 1.00 0.00 C ATOM 0 H VAL A 112 9.599 -2.351 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 112 9.021 -3.567 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 112 7.747 -4.142 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 112 5.926 -5.078 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.470 -5.910 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 112 6.855 -4.725 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.894 -2.692 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.823 -2.240 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 112 7.416 -1.785 -7.474 1.00 0.00 H new ATOM 642 N CYS A 113 9.666 -5.998 -5.984 1.00 0.00 N ATOM 643 CA CYS A 113 10.378 -7.256 -6.184 1.00 0.00 C ATOM 644 C CYS A 113 9.776 -8.044 -7.347 1.00 0.00 C ATOM 645 O CYS A 113 9.343 -9.185 -7.183 1.00 0.00 O ATOM 646 CB CYS A 113 10.345 -8.092 -4.901 1.00 0.00 C ATOM 647 SG CYS A 113 11.969 -8.745 -4.398 1.00 0.00 S ATOM 0 H CYS A 113 8.983 -6.016 -5.226 1.00 0.00 H new ATOM 0 HA CYS A 113 11.415 -7.027 -6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.945 -7.481 -4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.657 -8.926 -5.041 1.00 0.00 H new ATOM 652 N ALA A 114 9.757 -7.428 -8.524 1.00 0.00 N ATOM 653 CA ALA A 114 9.210 -8.068 -9.713 1.00 0.00 C ATOM 654 C ALA A 114 7.753 -8.463 -9.506 1.00 0.00 C ATOM 655 O ALA A 114 7.458 -9.488 -8.890 1.00 0.00 O ATOM 656 CB ALA A 114 10.042 -9.288 -10.085 1.00 0.00 C ATOM 0 H ALA A 114 10.115 -6.485 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 114 9.250 -7.349 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 114 9.622 -9.757 -10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.068 -8.981 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.032 -10.001 -9.260 1.00 0.00 H new ATOM 662 N GLY A 115 6.843 -7.643 -10.021 1.00 0.00 N ATOM 663 CA GLY A 115 5.426 -7.921 -9.880 1.00 0.00 C ATOM 664 C GLY A 115 4.688 -6.814 -9.149 1.00 0.00 C ATOM 665 O GLY A 115 4.983 -6.538 -7.984 1.00 0.00 O ATOM 0 H GLY A 115 7.062 -6.789 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.985 -8.057 -10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.295 -8.859 -9.341 1.00 0.00 H new ATOM 669 N PRO A 116 3.717 -6.152 -9.803 1.00 0.00 N ATOM 670 CA PRO A 116 2.947 -5.068 -9.186 1.00 0.00 C ATOM 671 C PRO A 116 2.361 -5.468 -7.836 1.00 0.00 C ATOM 672 O PRO A 116 2.117 -4.618 -6.977 1.00 0.00 O ATOM 673 CB PRO A 116 1.829 -4.804 -10.197 1.00 0.00 C ATOM 674 CG PRO A 116 2.391 -5.243 -11.503 1.00 0.00 C ATOM 675 CD PRO A 116 3.293 -6.407 -11.194 1.00 0.00 C ATOM 0 HA PRO A 116 3.567 -4.196 -8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 116 0.927 -5.363 -9.946 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.555 -3.749 -10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.598 -5.536 -12.191 1.00 0.00 H new ATOM 0 HG3 PRO A 116 2.946 -4.435 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.768 -7.358 -11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.145 -6.446 -11.873 1.00 0.00 H new ATOM 683 N GLU A 117 2.137 -6.765 -7.653 1.00 0.00 N ATOM 684 CA GLU A 117 1.579 -7.274 -6.406 1.00 0.00 C ATOM 685 C GLU A 117 2.328 -8.520 -5.941 1.00 0.00 C ATOM 686 O GLU A 117 2.192 -9.593 -6.529 1.00 0.00 O ATOM 687 CB GLU A 117 0.095 -7.597 -6.581 1.00 0.00 C ATOM 688 CG GLU A 117 -0.204 -8.426 -7.820 1.00 0.00 C ATOM 689 CD GLU A 117 -1.185 -9.550 -7.547 1.00 0.00 C ATOM 690 OE1 GLU A 117 -0.920 -10.361 -6.635 1.00 0.00 O ATOM 691 OE2 GLU A 117 -2.217 -9.620 -8.246 1.00 0.00 O ATOM 0 H GLU A 117 2.333 -7.482 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 117 1.690 -6.500 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.258 -8.134 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.468 -6.665 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.607 -7.778 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.725 -8.845 -8.205 1.00 0.00 H new ATOM 698 N ASP A 118 3.115 -8.369 -4.882 1.00 0.00 N ATOM 699 CA ASP A 118 3.884 -9.482 -4.337 1.00 0.00 C ATOM 700 C ASP A 118 4.186 -9.270 -2.854 1.00 0.00 C ATOM 701 O ASP A 118 5.077 -9.913 -2.297 1.00 0.00 O ATOM 702 CB ASP A 118 5.190 -9.656 -5.114 1.00 0.00 C ATOM 703 CG ASP A 118 5.935 -8.348 -5.294 1.00 0.00 C ATOM 704 OD1 ASP A 118 6.072 -7.603 -4.301 1.00 0.00 O ATOM 705 OD2 ASP A 118 6.384 -8.071 -6.426 1.00 0.00 O ATOM 0 H ASP A 118 3.237 -7.487 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 118 3.283 -10.386 -4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.830 -10.366 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.973 -10.085 -6.092 1.00 0.00 H new ATOM 710 N ASN A 119 3.440 -8.367 -2.217 1.00 0.00 N ATOM 711 CA ASN A 119 3.630 -8.077 -0.798 1.00 0.00 C ATOM 712 C ASN A 119 5.107 -7.881 -0.464 1.00 0.00 C ATOM 713 O ASN A 119 5.542 -8.157 0.653 1.00 0.00 O ATOM 714 CB ASN A 119 3.054 -9.212 0.048 1.00 0.00 C ATOM 715 CG ASN A 119 1.604 -8.976 0.424 1.00 0.00 C ATOM 716 OD1 ASN A 119 1.303 -8.173 1.308 1.00 0.00 O ATOM 717 ND2 ASN A 119 0.697 -9.676 -0.247 1.00 0.00 N ATOM 0 H ASN A 119 2.699 -7.825 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 119 3.105 -7.149 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 119 3.136 -10.149 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.648 -9.323 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.294 -9.559 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.992 -10.330 -0.972 1.00 0.00 H new ATOM 724 N SER A 120 5.874 -7.406 -1.441 1.00 0.00 N ATOM 725 CA SER A 120 7.300 -7.178 -1.246 1.00 0.00 C ATOM 726 C SER A 120 7.765 -5.938 -2.001 1.00 0.00 C ATOM 727 O SER A 120 7.117 -5.495 -2.950 1.00 0.00 O ATOM 728 CB SER A 120 8.100 -8.400 -1.707 1.00 0.00 C ATOM 729 OG SER A 120 8.360 -9.276 -0.624 1.00 0.00 O ATOM 0 H SER A 120 5.532 -7.172 -2.373 1.00 0.00 H new ATOM 0 HA SER A 120 7.473 -7.017 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.547 -8.930 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.041 -8.076 -2.151 1.00 0.00 H new ATOM 0 HG SER A 120 8.870 -10.049 -0.944 1.00 0.00 H new ATOM 735 N VAL A 121 8.894 -5.384 -1.572 1.00 0.00 N ATOM 736 CA VAL A 121 9.453 -4.194 -2.202 1.00 0.00 C ATOM 737 C VAL A 121 10.969 -4.308 -2.323 1.00 0.00 C ATOM 738 O VAL A 121 11.592 -5.136 -1.657 1.00 0.00 O ATOM 739 CB VAL A 121 9.105 -2.919 -1.407 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.443 -1.674 -2.213 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.638 -2.921 -1.007 1.00 0.00 C ATOM 0 H VAL A 121 9.441 -5.741 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 121 9.012 -4.120 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 121 9.706 -2.908 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.190 -0.786 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.509 -1.667 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.873 -1.676 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.412 -2.013 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.017 -2.959 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.432 -3.792 -0.385 1.00 0.00 H new ATOM 751 N CYS A 122 11.559 -3.475 -3.173 1.00 0.00 N ATOM 752 CA CYS A 122 13.002 -3.489 -3.375 1.00 0.00 C ATOM 753 C CYS A 122 13.635 -2.215 -2.827 1.00 0.00 C ATOM 754 O CYS A 122 13.259 -1.106 -3.211 1.00 0.00 O ATOM 755 CB CYS A 122 13.331 -3.636 -4.861 1.00 0.00 C ATOM 756 SG CYS A 122 13.262 -5.353 -5.470 1.00 0.00 S ATOM 0 H CYS A 122 11.061 -2.783 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 122 13.412 -4.343 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.634 -3.028 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.329 -3.237 -5.043 1.00 0.00 H new ATOM 761 N CYS A 123 14.597 -2.381 -1.926 1.00 0.00 N ATOM 762 CA CYS A 123 15.283 -1.248 -1.318 1.00 0.00 C ATOM 763 C CYS A 123 16.777 -1.289 -1.627 1.00 0.00 C ATOM 764 O CYS A 123 17.471 -2.235 -1.257 1.00 0.00 O ATOM 765 CB CYS A 123 15.062 -1.248 0.196 1.00 0.00 C ATOM 766 SG CYS A 123 13.337 -1.564 0.696 1.00 0.00 S ATOM 0 H CYS A 123 14.920 -3.292 -1.600 1.00 0.00 H new ATOM 0 HA CYS A 123 14.869 -0.332 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.704 -2.005 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.375 -0.284 0.598 1.00 0.00 H new ATOM 771 N GLY A 124 17.263 -0.257 -2.309 1.00 0.00 N ATOM 772 CA GLY A 124 18.670 -0.196 -2.655 1.00 0.00 C ATOM 773 C GLY A 124 19.274 1.171 -2.396 1.00 0.00 C ATOM 774 O GLY A 124 19.929 1.714 -3.310 1.00 0.00 O ATOM 775 OXT GLY A 124 19.092 1.698 -1.277 1.00 0.00 O ATOM 0 H GLY A 124 16.708 0.537 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.215 -0.945 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.793 -0.450 -3.708 1.00 0.00 H new TER 779 GLY A 124