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= 0.0834 USER MOD Single : A 75 THR OG1 : rot 140:sc= -0.7 USER MOD Single : A 78 ASN : amide:sc=-0.00864 X(o=-0.0086,f=-0.17) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.0627 (180deg=-0.346) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 91 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-2.9!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 64:sc= 1.23 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 K(o=0,f=1.1) USER MOD Single : A 111 SER OG : rot 180:sc= -0.232 USER MOD Single : A 119 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.92) USER MOD Single : A 120 SER OG : rot 31:sc= -0.996 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.233 -10.917 0.382 1.00 0.00 N ATOM 2 CA LEU A 71 16.802 -11.295 -0.907 1.00 0.00 C ATOM 3 C LEU A 71 17.331 -10.068 -1.645 1.00 0.00 C ATOM 4 O LEU A 71 16.854 -8.954 -1.438 1.00 0.00 O ATOM 5 CB LEU A 71 15.754 -12.012 -1.762 1.00 0.00 C ATOM 6 CG LEU A 71 16.259 -13.255 -2.496 1.00 0.00 C ATOM 7 CD1 LEU A 71 16.370 -14.431 -1.538 1.00 0.00 C ATOM 8 CD2 LEU A 71 15.340 -13.596 -3.657 1.00 0.00 C ATOM 0 HA LEU A 71 17.635 -11.975 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 71 14.920 -12.300 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.363 -11.308 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 71 17.251 -13.042 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.731 -15.307 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.068 -14.184 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.391 -14.646 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.714 -14.483 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.336 -13.790 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.311 -12.760 -4.355 1.00 0.00 H new ATOM 20 N SER A 72 18.320 -10.282 -2.507 1.00 0.00 N ATOM 21 CA SER A 72 18.912 -9.193 -3.274 1.00 0.00 C ATOM 22 C SER A 72 18.049 -8.855 -4.486 1.00 0.00 C ATOM 23 O SER A 72 17.696 -9.732 -5.274 1.00 0.00 O ATOM 24 CB SER A 72 20.324 -9.568 -3.727 1.00 0.00 C ATOM 25 OG SER A 72 20.466 -10.972 -3.846 1.00 0.00 O ATOM 0 H SER A 72 18.728 -11.199 -2.691 1.00 0.00 H new ATOM 0 HA SER A 72 18.967 -8.315 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.539 -9.095 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.052 -9.185 -3.012 1.00 0.00 H new ATOM 0 HG SER A 72 21.377 -11.185 -4.138 1.00 0.00 H new ATOM 31 N CYS A 73 17.710 -7.579 -4.626 1.00 0.00 N ATOM 32 CA CYS A 73 16.883 -7.124 -5.741 1.00 0.00 C ATOM 33 C CYS A 73 17.571 -6.005 -6.517 1.00 0.00 C ATOM 34 O CYS A 73 18.426 -5.299 -5.982 1.00 0.00 O ATOM 35 CB CYS A 73 15.521 -6.649 -5.228 1.00 0.00 C ATOM 36 SG CYS A 73 14.427 -5.969 -6.518 1.00 0.00 S ATOM 0 H CYS A 73 17.994 -6.840 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 73 16.737 -7.965 -6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.016 -7.485 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.679 -5.888 -4.464 1.00 0.00 H new ATOM 41 N LEU A 74 17.189 -5.850 -7.781 1.00 0.00 N ATOM 42 CA LEU A 74 17.765 -4.819 -8.635 1.00 0.00 C ATOM 43 C LEU A 74 16.783 -3.670 -8.840 1.00 0.00 C ATOM 44 O LEU A 74 15.645 -3.879 -9.257 1.00 0.00 O ATOM 45 CB LEU A 74 18.160 -5.411 -9.989 1.00 0.00 C ATOM 46 CG LEU A 74 19.526 -6.101 -10.019 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.363 -7.612 -9.926 1.00 0.00 C ATOM 48 CD2 LEU A 74 20.288 -5.723 -11.281 1.00 0.00 C ATOM 0 H LEU A 74 16.482 -6.427 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 74 18.655 -4.430 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.399 -6.131 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.156 -4.614 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 74 20.101 -5.763 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.344 -8.086 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.859 -7.867 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.769 -7.966 -10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.257 -6.223 -11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.717 -6.031 -12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.437 -4.644 -11.307 1.00 0.00 H new ATOM 60 N THR A 75 17.236 -2.457 -8.547 1.00 0.00 N ATOM 61 CA THR A 75 16.402 -1.271 -8.703 1.00 0.00 C ATOM 62 C THR A 75 16.001 -1.087 -10.165 1.00 0.00 C ATOM 63 O THR A 75 16.541 -1.750 -11.049 1.00 0.00 O ATOM 64 CB THR A 75 17.152 -0.034 -8.203 1.00 0.00 C ATOM 65 OG1 THR A 75 18.242 0.269 -9.053 1.00 0.00 O ATOM 66 CG2 THR A 75 17.694 -0.192 -6.799 1.00 0.00 C ATOM 0 H THR A 75 18.176 -2.268 -8.200 1.00 0.00 H new ATOM 0 HA THR A 75 15.497 -1.402 -8.110 1.00 0.00 H new ATOM 0 HB THR A 75 16.417 0.771 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.305 1.240 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.214 0.720 -6.505 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.870 -0.378 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.388 -1.032 -6.769 1.00 0.00 H new ATOM 74 N PRO A 76 15.045 -0.182 -10.446 1.00 0.00 N ATOM 75 CA PRO A 76 14.587 0.074 -11.814 1.00 0.00 C ATOM 76 C PRO A 76 15.746 0.357 -12.765 1.00 0.00 C ATOM 77 O PRO A 76 15.637 0.142 -13.973 1.00 0.00 O ATOM 78 CB PRO A 76 13.697 1.309 -11.666 1.00 0.00 C ATOM 79 CG PRO A 76 13.210 1.252 -10.258 1.00 0.00 C ATOM 80 CD PRO A 76 14.337 0.658 -9.461 1.00 0.00 C ATOM 0 HA PRO A 76 14.072 -0.786 -12.242 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.255 2.226 -11.856 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.868 1.288 -12.374 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.953 2.246 -9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.311 0.641 -10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.988 1.429 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.969 0.069 -8.621 1.00 0.00 H new ATOM 88 N ASP A 77 16.858 0.832 -12.210 1.00 0.00 N ATOM 89 CA ASP A 77 18.040 1.137 -13.007 1.00 0.00 C ATOM 90 C ASP A 77 19.053 -0.008 -12.952 1.00 0.00 C ATOM 91 O ASP A 77 20.186 0.135 -13.414 1.00 0.00 O ATOM 92 CB ASP A 77 18.688 2.435 -12.517 1.00 0.00 C ATOM 93 CG ASP A 77 18.578 3.555 -13.533 1.00 0.00 C ATOM 94 OD1 ASP A 77 19.476 3.664 -14.394 1.00 0.00 O ATOM 95 OD2 ASP A 77 17.596 4.322 -13.467 1.00 0.00 O ATOM 0 H ASP A 77 16.964 1.014 -11.212 1.00 0.00 H new ATOM 0 HA ASP A 77 17.725 1.263 -14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.214 2.745 -11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.739 2.252 -12.295 1.00 0.00 H new ATOM 100 N ASN A 78 18.641 -1.142 -12.386 1.00 0.00 N ATOM 101 CA ASN A 78 19.512 -2.308 -12.272 1.00 0.00 C ATOM 102 C ASN A 78 20.620 -2.064 -11.251 1.00 0.00 C ATOM 103 O ASN A 78 21.750 -2.518 -11.425 1.00 0.00 O ATOM 104 CB ASN A 78 20.117 -2.661 -13.637 1.00 0.00 C ATOM 105 CG ASN A 78 19.619 -3.995 -14.160 1.00 0.00 C ATOM 106 OD1 ASN A 78 20.402 -4.914 -14.397 1.00 0.00 O ATOM 107 ND2 ASN A 78 18.309 -4.105 -14.346 1.00 0.00 N ATOM 0 H ASN A 78 17.707 -1.277 -11.999 1.00 0.00 H new ATOM 0 HA ASN A 78 18.908 -3.148 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 78 19.872 -1.878 -14.354 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.204 -2.688 -13.554 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.915 -4.977 -14.699 1.00 0.00 H new ATOM 0 HD22 ASN A 78 17.696 -3.317 -14.136 1.00 0.00 H new ATOM 114 N LYS A 79 20.282 -1.350 -10.184 1.00 0.00 N ATOM 115 CA LYS A 79 21.245 -1.052 -9.132 1.00 0.00 C ATOM 116 C LYS A 79 21.159 -2.090 -8.013 1.00 0.00 C ATOM 117 O LYS A 79 20.090 -2.307 -7.443 1.00 0.00 O ATOM 118 CB LYS A 79 20.996 0.347 -8.563 1.00 0.00 C ATOM 119 CG LYS A 79 22.271 1.092 -8.200 1.00 0.00 C ATOM 120 CD LYS A 79 22.860 1.808 -9.404 1.00 0.00 C ATOM 121 CE LYS A 79 22.237 3.181 -9.598 1.00 0.00 C ATOM 122 NZ LYS A 79 23.163 4.274 -9.190 1.00 0.00 N ATOM 0 H LYS A 79 19.350 -0.967 -10.025 1.00 0.00 H new ATOM 0 HA LYS A 79 22.244 -1.087 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 79 20.438 0.933 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 79 20.369 0.263 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 79 22.059 1.816 -7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 79 23.002 0.390 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 79 23.937 1.912 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 79 22.702 1.206 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 79 21.962 3.310 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 79 21.318 3.248 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 22.701 5.194 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 23.406 4.166 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 24.030 4.226 -9.763 1.00 0.00 H new ATOM 136 N PRO A 80 22.283 -2.752 -7.682 1.00 0.00 N ATOM 137 CA PRO A 80 22.314 -3.769 -6.627 1.00 0.00 C ATOM 138 C PRO A 80 21.723 -3.262 -5.317 1.00 0.00 C ATOM 139 O PRO A 80 22.144 -2.231 -4.792 1.00 0.00 O ATOM 140 CB PRO A 80 23.805 -4.068 -6.459 1.00 0.00 C ATOM 141 CG PRO A 80 24.412 -3.716 -7.772 1.00 0.00 C ATOM 142 CD PRO A 80 23.607 -2.563 -8.306 1.00 0.00 C ATOM 0 HA PRO A 80 21.719 -4.644 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.239 -3.478 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 80 23.973 -5.117 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 80 25.460 -3.439 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 80 24.380 -4.564 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 80 24.047 -1.604 -8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 80 23.545 -2.586 -9.394 1.00 0.00 H new ATOM 150 N GLY A 81 20.744 -3.992 -4.793 1.00 0.00 N ATOM 151 CA GLY A 81 20.111 -3.598 -3.548 1.00 0.00 C ATOM 152 C GLY A 81 19.571 -4.782 -2.771 1.00 0.00 C ATOM 153 O GLY A 81 20.031 -5.910 -2.947 1.00 0.00 O ATOM 0 H GLY A 81 20.378 -4.849 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.832 -3.061 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.297 -2.906 -3.761 1.00 0.00 H new ATOM 157 N LYS A 82 18.596 -4.523 -1.908 1.00 0.00 N ATOM 158 CA LYS A 82 17.994 -5.575 -1.098 1.00 0.00 C ATOM 159 C LYS A 82 16.470 -5.506 -1.162 1.00 0.00 C ATOM 160 O LYS A 82 15.896 -4.439 -1.372 1.00 0.00 O ATOM 161 CB LYS A 82 18.460 -5.459 0.354 1.00 0.00 C ATOM 162 CG LYS A 82 18.345 -4.053 0.920 1.00 0.00 C ATOM 163 CD LYS A 82 18.927 -3.966 2.321 1.00 0.00 C ATOM 164 CE LYS A 82 17.839 -4.018 3.383 1.00 0.00 C ATOM 165 NZ LYS A 82 18.015 -2.956 4.411 1.00 0.00 N ATOM 0 H LYS A 82 18.205 -3.594 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 82 18.314 -6.537 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.872 -6.139 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.498 -5.785 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.864 -3.353 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.297 -3.753 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.627 -4.787 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.493 -3.040 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.864 -3.906 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.849 -4.995 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.254 -3.026 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.935 -3.077 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.980 -2.022 3.955 1.00 0.00 H new ATOM 179 N CYS A 83 15.823 -6.653 -0.982 1.00 0.00 N ATOM 180 CA CYS A 83 14.369 -6.725 -1.020 1.00 0.00 C ATOM 181 C CYS A 83 13.799 -6.996 0.368 1.00 0.00 C ATOM 182 O CYS A 83 14.229 -7.921 1.058 1.00 0.00 O ATOM 183 CB CYS A 83 13.920 -7.822 -1.990 1.00 0.00 C ATOM 184 SG CYS A 83 12.114 -8.037 -2.088 1.00 0.00 S ATOM 0 H CYS A 83 16.285 -7.546 -0.808 1.00 0.00 H new ATOM 0 HA CYS A 83 13.991 -5.763 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.302 -7.591 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.371 -8.767 -1.687 1.00 0.00 H new ATOM 189 N VAL A 84 12.827 -6.182 0.772 1.00 0.00 N ATOM 190 CA VAL A 84 12.196 -6.331 2.076 1.00 0.00 C ATOM 191 C VAL A 84 10.700 -6.047 1.996 1.00 0.00 C ATOM 192 O VAL A 84 10.239 -5.354 1.090 1.00 0.00 O ATOM 193 CB VAL A 84 12.832 -5.390 3.116 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.266 -5.801 3.405 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.769 -3.946 2.641 1.00 0.00 C ATOM 0 H VAL A 84 12.460 -5.412 0.212 1.00 0.00 H new ATOM 0 HA VAL A 84 12.351 -7.364 2.389 1.00 0.00 H new ATOM 0 HB VAL A 84 12.263 -5.469 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.697 -5.124 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.281 -6.819 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.850 -5.756 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.223 -3.297 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.310 -3.849 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.729 -3.657 2.493 1.00 0.00 H new ATOM 205 N ASN A 85 9.947 -6.585 2.951 1.00 0.00 N ATOM 206 CA ASN A 85 8.502 -6.386 2.986 1.00 0.00 C ATOM 207 C ASN A 85 8.156 -4.899 2.987 1.00 0.00 C ATOM 208 O ASN A 85 9.036 -4.049 2.853 1.00 0.00 O ATOM 209 CB ASN A 85 7.903 -7.063 4.222 1.00 0.00 C ATOM 210 CG ASN A 85 7.267 -8.401 3.897 1.00 0.00 C ATOM 211 OD1 ASN A 85 7.861 -9.456 4.124 1.00 0.00 O ATOM 212 ND2 ASN A 85 6.053 -8.365 3.362 1.00 0.00 N ATOM 0 H ASN A 85 10.313 -7.161 3.709 1.00 0.00 H new ATOM 0 HA ASN A 85 8.076 -6.838 2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.684 -7.207 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.155 -6.406 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.575 -9.234 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.597 -7.469 3.191 1.00 0.00 H new ATOM 219 N ILE A 86 6.873 -4.593 3.138 1.00 0.00 N ATOM 220 CA ILE A 86 6.418 -3.208 3.154 1.00 0.00 C ATOM 221 C ILE A 86 6.248 -2.700 4.585 1.00 0.00 C ATOM 222 O ILE A 86 5.440 -1.809 4.847 1.00 0.00 O ATOM 223 CB ILE A 86 5.089 -3.044 2.385 1.00 0.00 C ATOM 224 CG1 ILE A 86 4.815 -1.565 2.103 1.00 0.00 C ATOM 225 CG2 ILE A 86 3.934 -3.667 3.157 1.00 0.00 C ATOM 226 CD1 ILE A 86 5.293 -1.113 0.739 1.00 0.00 C ATOM 0 H ILE A 86 6.131 -5.283 3.251 1.00 0.00 H new ATOM 0 HA ILE A 86 7.185 -2.614 2.657 1.00 0.00 H new ATOM 0 HB ILE A 86 5.178 -3.567 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.744 -1.380 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.302 -0.961 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.009 -3.538 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.125 -4.730 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.840 -3.179 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.067 -0.055 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.369 -1.266 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.787 -1.692 -0.034 1.00 0.00 H new ATOM 238 N LYS A 87 7.016 -3.273 5.506 1.00 0.00 N ATOM 239 CA LYS A 87 6.953 -2.879 6.910 1.00 0.00 C ATOM 240 C LYS A 87 8.332 -2.947 7.556 1.00 0.00 C ATOM 241 O LYS A 87 8.454 -3.189 8.756 1.00 0.00 O ATOM 242 CB LYS A 87 5.978 -3.781 7.670 1.00 0.00 C ATOM 243 CG LYS A 87 4.516 -3.491 7.371 1.00 0.00 C ATOM 244 CD LYS A 87 3.687 -4.764 7.351 1.00 0.00 C ATOM 245 CE LYS A 87 3.015 -5.012 8.693 1.00 0.00 C ATOM 246 NZ LYS A 87 1.961 -4.002 8.982 1.00 0.00 N ATOM 0 H LYS A 87 7.690 -4.012 5.306 1.00 0.00 H new ATOM 0 HA LYS A 87 6.599 -1.849 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.191 -4.821 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.150 -3.667 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.119 -2.809 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.434 -2.987 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.929 -4.694 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.325 -5.611 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.574 -6.009 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.765 -4.990 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.282 -4.394 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.399 -3.147 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.464 -3.758 8.102 1.00 0.00 H new ATOM 260 N LYS A 88 9.371 -2.735 6.753 1.00 0.00 N ATOM 261 CA LYS A 88 10.741 -2.775 7.250 1.00 0.00 C ATOM 262 C LYS A 88 11.548 -1.593 6.722 1.00 0.00 C ATOM 263 O LYS A 88 12.174 -0.863 7.492 1.00 0.00 O ATOM 264 CB LYS A 88 11.414 -4.087 6.845 1.00 0.00 C ATOM 265 CG LYS A 88 12.400 -4.608 7.876 1.00 0.00 C ATOM 266 CD LYS A 88 12.499 -6.125 7.834 1.00 0.00 C ATOM 267 CE LYS A 88 11.251 -6.780 8.406 1.00 0.00 C ATOM 268 NZ LYS A 88 11.489 -7.343 9.764 1.00 0.00 N ATOM 0 H LYS A 88 9.289 -2.534 5.756 1.00 0.00 H new ATOM 0 HA LYS A 88 10.707 -2.711 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.646 -4.842 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.934 -3.942 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.383 -4.173 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.090 -4.290 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.644 -6.453 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.373 -6.450 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.446 -6.047 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.919 -7.574 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.614 -7.780 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.239 -8.062 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.780 -6.581 10.409 1.00 0.00 H new ATOM 282 N CYS A 89 11.530 -1.409 5.406 1.00 0.00 N ATOM 283 CA CYS A 89 12.262 -0.317 4.775 1.00 0.00 C ATOM 284 C CYS A 89 11.811 1.032 5.327 1.00 0.00 C ATOM 285 O CYS A 89 10.622 1.347 5.330 1.00 0.00 O ATOM 286 CB CYS A 89 12.066 -0.352 3.258 1.00 0.00 C ATOM 287 SG CYS A 89 13.445 0.375 2.314 1.00 0.00 S ATOM 0 H CYS A 89 11.016 -2.003 4.755 1.00 0.00 H new ATOM 0 HA CYS A 89 13.321 -0.446 5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.930 -1.387 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 89 11.148 0.180 3.008 1.00 0.00 H new ATOM 292 N THR A 90 12.772 1.825 5.793 1.00 0.00 N ATOM 293 CA THR A 90 12.476 3.141 6.347 1.00 0.00 C ATOM 294 C THR A 90 11.913 4.069 5.276 1.00 0.00 C ATOM 295 O THR A 90 11.099 4.946 5.564 1.00 0.00 O ATOM 296 CB THR A 90 13.736 3.755 6.959 1.00 0.00 C ATOM 297 OG1 THR A 90 14.891 3.335 6.254 1.00 0.00 O ATOM 298 CG2 THR A 90 13.929 3.396 8.416 1.00 0.00 C ATOM 0 H THR A 90 13.762 1.579 5.798 1.00 0.00 H new ATOM 0 HA THR A 90 11.724 3.018 7.127 1.00 0.00 H new ATOM 0 HB THR A 90 13.599 4.834 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.687 3.739 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.841 3.864 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.076 3.752 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.009 2.314 8.516 1.00 0.00 H new ATOM 306 N HIS A 91 12.353 3.870 4.036 1.00 0.00 N ATOM 307 CA HIS A 91 11.893 4.690 2.922 1.00 0.00 C ATOM 308 C HIS A 91 10.381 4.581 2.754 1.00 0.00 C ATOM 309 O HIS A 91 9.719 5.542 2.361 1.00 0.00 O ATOM 310 CB HIS A 91 12.592 4.268 1.627 1.00 0.00 C ATOM 311 CG HIS A 91 12.472 5.276 0.528 1.00 0.00 C ATOM 312 ND1 HIS A 91 11.262 5.774 0.089 1.00 0.00 N ATOM 313 CD2 HIS A 91 13.420 5.884 -0.225 1.00 0.00 C ATOM 314 CE1 HIS A 91 11.471 6.640 -0.885 1.00 0.00 C ATOM 315 NE2 HIS A 91 12.771 6.726 -1.094 1.00 0.00 N ATOM 0 H HIS A 91 13.027 3.149 3.779 1.00 0.00 H new ATOM 0 HA HIS A 91 12.143 5.728 3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.648 4.092 1.834 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.171 3.321 1.288 1.00 0.00 H new ATOM 0 HD1 HIS A 91 10.348 5.513 0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.487 5.734 -0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.708 7.185 -1.420 1.00 0.00 H new ATOM 324 N LEU A 92 9.841 3.404 3.054 1.00 0.00 N ATOM 325 CA LEU A 92 8.407 3.168 2.938 1.00 0.00 C ATOM 326 C LEU A 92 7.640 3.942 4.006 1.00 0.00 C ATOM 327 O LEU A 92 6.569 4.489 3.745 1.00 0.00 O ATOM 328 CB LEU A 92 8.105 1.673 3.054 1.00 0.00 C ATOM 329 CG LEU A 92 7.100 1.134 2.037 1.00 0.00 C ATOM 330 CD1 LEU A 92 5.787 1.894 2.127 1.00 0.00 C ATOM 331 CD2 LEU A 92 7.672 1.220 0.629 1.00 0.00 C ATOM 0 H LEU A 92 10.376 2.599 3.379 1.00 0.00 H new ATOM 0 HA LEU A 92 8.083 3.521 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.038 1.120 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.728 1.471 4.057 1.00 0.00 H new ATOM 0 HG LEU A 92 6.905 0.087 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.085 1.495 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.370 1.783 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.963 2.950 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.944 0.832 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.896 2.260 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.586 0.630 0.571 1.00 0.00 H new ATOM 343 N ALA A 93 8.197 3.981 5.210 1.00 0.00 N ATOM 344 CA ALA A 93 7.570 4.684 6.321 1.00 0.00 C ATOM 345 C ALA A 93 7.513 6.185 6.061 1.00 0.00 C ATOM 346 O ALA A 93 6.588 6.867 6.503 1.00 0.00 O ATOM 347 CB ALA A 93 8.318 4.399 7.615 1.00 0.00 C ATOM 0 H ALA A 93 9.084 3.533 5.442 1.00 0.00 H new ATOM 0 HA ALA A 93 6.547 4.320 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.839 4.931 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.301 3.328 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.351 4.734 7.520 1.00 0.00 H new ATOM 353 N GLU A 94 8.509 6.696 5.344 1.00 0.00 N ATOM 354 CA GLU A 94 8.572 8.118 5.029 1.00 0.00 C ATOM 355 C GLU A 94 7.497 8.507 4.023 1.00 0.00 C ATOM 356 O GLU A 94 6.841 9.540 4.167 1.00 0.00 O ATOM 357 CB GLU A 94 9.954 8.481 4.483 1.00 0.00 C ATOM 358 CG GLU A 94 10.444 9.851 4.923 1.00 0.00 C ATOM 359 CD GLU A 94 11.452 9.774 6.053 1.00 0.00 C ATOM 360 OE1 GLU A 94 11.032 9.560 7.210 1.00 0.00 O ATOM 361 OE2 GLU A 94 12.661 9.928 5.780 1.00 0.00 O ATOM 0 H GLU A 94 9.283 6.146 4.971 1.00 0.00 H new ATOM 0 HA GLU A 94 8.395 8.673 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.672 7.727 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.925 8.448 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.895 10.362 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.592 10.453 5.241 1.00 0.00 H new ATOM 368 N ILE A 95 7.317 7.674 3.006 1.00 0.00 N ATOM 369 CA ILE A 95 6.318 7.932 1.978 1.00 0.00 C ATOM 370 C ILE A 95 4.910 7.773 2.542 1.00 0.00 C ATOM 371 O ILE A 95 3.989 8.490 2.151 1.00 0.00 O ATOM 372 CB ILE A 95 6.495 6.996 0.764 1.00 0.00 C ATOM 373 CG1 ILE A 95 5.481 7.337 -0.332 1.00 0.00 C ATOM 374 CG2 ILE A 95 6.362 5.541 1.187 1.00 0.00 C ATOM 375 CD1 ILE A 95 6.098 8.014 -1.537 1.00 0.00 C ATOM 0 H ILE A 95 7.850 6.815 2.871 1.00 0.00 H new ATOM 0 HA ILE A 95 6.460 8.960 1.644 1.00 0.00 H new ATOM 0 HB ILE A 95 7.496 7.144 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.985 6.422 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.712 7.987 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.490 4.896 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.126 5.306 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.375 5.376 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.322 8.226 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.570 8.947 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.847 7.357 -1.979 1.00 0.00 H new ATOM 387 N GLU A 96 4.752 6.829 3.462 1.00 0.00 N ATOM 388 CA GLU A 96 3.457 6.576 4.083 1.00 0.00 C ATOM 389 C GLU A 96 3.055 7.739 4.986 1.00 0.00 C ATOM 390 O GLU A 96 1.870 8.029 5.147 1.00 0.00 O ATOM 391 CB GLU A 96 3.501 5.276 4.890 1.00 0.00 C ATOM 392 CG GLU A 96 2.271 4.403 4.701 1.00 0.00 C ATOM 393 CD GLU A 96 2.600 2.923 4.722 1.00 0.00 C ATOM 394 OE1 GLU A 96 3.302 2.483 5.656 1.00 0.00 O ATOM 395 OE2 GLU A 96 2.153 2.203 3.803 1.00 0.00 O ATOM 0 H GLU A 96 5.504 6.226 3.795 1.00 0.00 H new ATOM 0 HA GLU A 96 2.712 6.478 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.387 4.709 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.606 5.518 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.549 4.623 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.795 4.653 3.753 1.00 0.00 H new ATOM 402 N GLU A 97 4.049 8.400 5.570 1.00 0.00 N ATOM 403 CA GLU A 97 3.796 9.533 6.455 1.00 0.00 C ATOM 404 C GLU A 97 3.320 10.745 5.662 1.00 0.00 C ATOM 405 O GLU A 97 2.536 11.555 6.158 1.00 0.00 O ATOM 406 CB GLU A 97 5.060 9.884 7.241 1.00 0.00 C ATOM 407 CG GLU A 97 4.796 10.214 8.701 1.00 0.00 C ATOM 408 CD GLU A 97 4.967 11.690 9.007 1.00 0.00 C ATOM 409 OE1 GLU A 97 3.975 12.440 8.888 1.00 0.00 O ATOM 410 OE2 GLU A 97 6.094 12.095 9.363 1.00 0.00 O ATOM 0 H GLU A 97 5.036 8.172 5.447 1.00 0.00 H new ATOM 0 HA GLU A 97 3.010 9.249 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.756 9.047 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.548 10.736 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.783 9.908 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.474 9.636 9.328 1.00 0.00 H new ATOM 417 N ASP A 98 3.798 10.864 4.427 1.00 0.00 N ATOM 418 CA ASP A 98 3.420 11.978 3.566 1.00 0.00 C ATOM 419 C ASP A 98 3.818 11.704 2.117 1.00 0.00 C ATOM 420 O ASP A 98 4.854 12.176 1.648 1.00 0.00 O ATOM 421 CB ASP A 98 4.078 13.272 4.053 1.00 0.00 C ATOM 422 CG ASP A 98 3.143 14.463 3.968 1.00 0.00 C ATOM 423 OD1 ASP A 98 2.255 14.459 3.090 1.00 0.00 O ATOM 424 OD2 ASP A 98 3.299 15.398 4.780 1.00 0.00 O ATOM 0 H ASP A 98 4.447 10.203 4.001 1.00 0.00 H new ATOM 0 HA ASP A 98 2.337 12.090 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.406 13.144 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.969 13.470 3.457 1.00 0.00 H new ATOM 429 N PRO A 99 2.996 10.930 1.386 1.00 0.00 N ATOM 430 CA PRO A 99 3.267 10.593 -0.014 1.00 0.00 C ATOM 431 C PRO A 99 3.019 11.771 -0.953 1.00 0.00 C ATOM 432 O PRO A 99 2.029 12.488 -0.815 1.00 0.00 O ATOM 433 CB PRO A 99 2.279 9.464 -0.301 1.00 0.00 C ATOM 434 CG PRO A 99 1.141 9.717 0.627 1.00 0.00 C ATOM 435 CD PRO A 99 1.740 10.322 1.868 1.00 0.00 C ATOM 0 HA PRO A 99 4.309 10.318 -0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 99 1.953 9.477 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.729 8.488 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.414 10.392 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.615 8.791 0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.078 11.066 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.927 9.567 2.632 1.00 0.00 H new ATOM 443 N ILE A 100 3.924 11.959 -1.908 1.00 0.00 N ATOM 444 CA ILE A 100 3.803 13.048 -2.870 1.00 0.00 C ATOM 445 C ILE A 100 4.459 12.682 -4.198 1.00 0.00 C ATOM 446 O ILE A 100 5.160 11.676 -4.298 1.00 0.00 O ATOM 447 CB ILE A 100 4.437 14.348 -2.336 1.00 0.00 C ATOM 448 CG1 ILE A 100 5.931 14.148 -2.065 1.00 0.00 C ATOM 449 CG2 ILE A 100 3.717 14.812 -1.078 1.00 0.00 C ATOM 450 CD1 ILE A 100 6.221 13.229 -0.897 1.00 0.00 C ATOM 0 H ILE A 100 4.748 11.372 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 100 2.737 13.214 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 100 4.331 15.122 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.402 13.743 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.390 15.118 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.177 15.731 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.668 14.997 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.790 14.041 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.299 13.136 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.780 13.643 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.793 12.246 -1.093 1.00 0.00 H new ATOM 462 N GLY A 101 4.224 13.506 -5.214 1.00 0.00 N ATOM 463 CA GLY A 101 4.798 13.249 -6.523 1.00 0.00 C ATOM 464 C GLY A 101 4.273 11.971 -7.144 1.00 0.00 C ATOM 465 O GLY A 101 4.547 10.876 -6.653 1.00 0.00 O ATOM 0 H GLY A 101 3.648 14.346 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.578 14.088 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.883 13.188 -6.435 1.00 0.00 H new ATOM 469 N GLU A 102 3.515 12.109 -8.227 1.00 0.00 N ATOM 470 CA GLU A 102 2.949 10.955 -8.916 1.00 0.00 C ATOM 471 C GLU A 102 4.049 10.024 -9.418 1.00 0.00 C ATOM 472 O GLU A 102 3.859 8.811 -9.500 1.00 0.00 O ATOM 473 CB GLU A 102 2.079 11.413 -10.088 1.00 0.00 C ATOM 474 CG GLU A 102 2.817 12.282 -11.092 1.00 0.00 C ATOM 475 CD GLU A 102 2.615 13.764 -10.839 1.00 0.00 C ATOM 476 OE1 GLU A 102 1.517 14.274 -11.147 1.00 0.00 O ATOM 477 OE2 GLU A 102 3.555 14.414 -10.336 1.00 0.00 O ATOM 0 H GLU A 102 3.279 13.008 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 102 2.332 10.406 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.684 10.536 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.224 11.967 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.882 12.052 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.475 12.039 -12.098 1.00 0.00 H new ATOM 484 N ASP A 103 5.198 10.599 -9.754 1.00 0.00 N ATOM 485 CA ASP A 103 6.326 9.821 -10.249 1.00 0.00 C ATOM 486 C ASP A 103 6.963 9.006 -9.127 1.00 0.00 C ATOM 487 O ASP A 103 7.499 7.922 -9.363 1.00 0.00 O ATOM 488 CB ASP A 103 7.372 10.743 -10.881 1.00 0.00 C ATOM 489 CG ASP A 103 7.902 11.772 -9.901 1.00 0.00 C ATOM 490 OD1 ASP A 103 7.210 12.785 -9.672 1.00 0.00 O ATOM 491 OD2 ASP A 103 9.011 11.564 -9.364 1.00 0.00 O ATOM 0 H ASP A 103 5.372 11.602 -9.692 1.00 0.00 H new ATOM 0 HA ASP A 103 5.953 9.132 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.201 10.144 -11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.932 11.254 -11.738 1.00 0.00 H new ATOM 496 N GLU A 104 6.902 9.533 -7.909 1.00 0.00 N ATOM 497 CA GLU A 104 7.475 8.853 -6.753 1.00 0.00 C ATOM 498 C GLU A 104 6.641 7.637 -6.365 1.00 0.00 C ATOM 499 O GLU A 104 7.180 6.586 -6.023 1.00 0.00 O ATOM 500 CB GLU A 104 7.580 9.817 -5.569 1.00 0.00 C ATOM 501 CG GLU A 104 8.960 10.434 -5.409 1.00 0.00 C ATOM 502 CD GLU A 104 8.911 11.825 -4.804 1.00 0.00 C ATOM 503 OE1 GLU A 104 8.535 12.772 -5.526 1.00 0.00 O ATOM 504 OE2 GLU A 104 9.247 11.964 -3.610 1.00 0.00 O ATOM 0 H GLU A 104 6.462 10.428 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 104 8.474 8.511 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.847 10.614 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.320 9.285 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.571 9.789 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.447 10.482 -6.383 1.00 0.00 H new ATOM 511 N THR A 105 5.324 7.790 -6.421 1.00 0.00 N ATOM 512 CA THR A 105 4.414 6.704 -6.076 1.00 0.00 C ATOM 513 C THR A 105 4.444 5.612 -7.139 1.00 0.00 C ATOM 514 O THR A 105 4.287 4.430 -6.834 1.00 0.00 O ATOM 515 CB THR A 105 2.989 7.236 -5.915 1.00 0.00 C ATOM 516 OG1 THR A 105 2.105 6.195 -5.540 1.00 0.00 O ATOM 517 CG2 THR A 105 2.442 7.873 -7.174 1.00 0.00 C ATOM 0 H THR A 105 4.862 8.655 -6.702 1.00 0.00 H new ATOM 0 HA THR A 105 4.743 6.275 -5.130 1.00 0.00 H new ATOM 0 HB THR A 105 3.051 7.999 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.199 6.555 -5.440 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.428 8.229 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.075 8.713 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.428 7.137 -7.978 1.00 0.00 H new ATOM 525 N THR A 106 4.649 6.016 -8.389 1.00 0.00 N ATOM 526 CA THR A 106 4.701 5.070 -9.496 1.00 0.00 C ATOM 527 C THR A 106 6.006 4.282 -9.475 1.00 0.00 C ATOM 528 O THR A 106 6.035 3.102 -9.825 1.00 0.00 O ATOM 529 CB THR A 106 4.556 5.805 -10.831 1.00 0.00 C ATOM 530 OG1 THR A 106 3.367 6.575 -10.852 1.00 0.00 O ATOM 531 CG2 THR A 106 4.524 4.876 -12.025 1.00 0.00 C ATOM 0 H THR A 106 4.781 6.991 -8.659 1.00 0.00 H new ATOM 0 HA THR A 106 3.873 4.371 -9.383 1.00 0.00 H new ATOM 0 HB THR A 106 5.439 6.440 -10.910 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.416 7.272 -10.164 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.420 5.461 -12.939 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.450 4.303 -12.065 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.679 4.194 -11.933 1.00 0.00 H new ATOM 539 N TYR A 107 7.082 4.941 -9.061 1.00 0.00 N ATOM 540 CA TYR A 107 8.389 4.301 -8.991 1.00 0.00 C ATOM 541 C TYR A 107 8.423 3.267 -7.872 1.00 0.00 C ATOM 542 O TYR A 107 9.084 2.235 -7.987 1.00 0.00 O ATOM 543 CB TYR A 107 9.485 5.349 -8.776 1.00 0.00 C ATOM 544 CG TYR A 107 10.421 5.495 -9.954 1.00 0.00 C ATOM 545 CD1 TYR A 107 9.981 6.048 -11.151 1.00 0.00 C ATOM 546 CD2 TYR A 107 11.744 5.079 -9.871 1.00 0.00 C ATOM 547 CE1 TYR A 107 10.834 6.183 -12.230 1.00 0.00 C ATOM 548 CE2 TYR A 107 12.603 5.211 -10.945 1.00 0.00 C ATOM 549 CZ TYR A 107 12.143 5.763 -12.122 1.00 0.00 C ATOM 550 OH TYR A 107 12.994 5.896 -13.195 1.00 0.00 O ATOM 0 H TYR A 107 7.075 5.918 -8.769 1.00 0.00 H new ATOM 0 HA TYR A 107 8.571 3.792 -9.937 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.019 6.313 -8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.065 5.081 -7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.956 6.377 -11.239 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.107 4.645 -8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.477 6.615 -13.153 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.629 4.884 -10.863 1.00 0.00 H new ATOM 0 HH TYR A 107 13.880 5.553 -12.954 1.00 0.00 H new ATOM 560 N LEU A 108 7.704 3.549 -6.792 1.00 0.00 N ATOM 561 CA LEU A 108 7.649 2.640 -5.654 1.00 0.00 C ATOM 562 C LEU A 108 6.950 1.342 -6.040 1.00 0.00 C ATOM 563 O LEU A 108 7.379 0.254 -5.653 1.00 0.00 O ATOM 564 CB LEU A 108 6.920 3.297 -4.480 1.00 0.00 C ATOM 565 CG LEU A 108 7.317 2.777 -3.096 1.00 0.00 C ATOM 566 CD1 LEU A 108 7.145 3.865 -2.048 1.00 0.00 C ATOM 567 CD2 LEU A 108 6.499 1.545 -2.732 1.00 0.00 C ATOM 0 H LEU A 108 7.152 4.399 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 108 8.670 2.411 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.103 4.371 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.848 3.152 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 108 8.369 2.492 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.432 3.477 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.777 4.716 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.103 4.182 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.795 1.190 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.440 1.801 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.676 0.761 -3.468 1.00 0.00 H new ATOM 579 N LYS A 109 5.878 1.464 -6.811 1.00 0.00 N ATOM 580 CA LYS A 109 5.123 0.303 -7.260 1.00 0.00 C ATOM 581 C LYS A 109 5.918 -0.487 -8.295 1.00 0.00 C ATOM 582 O LYS A 109 5.781 -1.705 -8.403 1.00 0.00 O ATOM 583 CB LYS A 109 3.780 0.735 -7.850 1.00 0.00 C ATOM 584 CG LYS A 109 2.630 -0.192 -7.492 1.00 0.00 C ATOM 585 CD LYS A 109 1.335 0.577 -7.293 1.00 0.00 C ATOM 586 CE LYS A 109 0.126 -0.347 -7.317 1.00 0.00 C ATOM 587 NZ LYS A 109 -0.818 -0.051 -6.204 1.00 0.00 N ATOM 0 H LYS A 109 5.511 2.358 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 109 4.939 -0.338 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.546 1.741 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.869 0.787 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.498 -0.931 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.873 -0.739 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.369 1.108 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.234 1.330 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.392 -0.243 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.458 -1.383 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.628 -0.701 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.331 -0.175 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.155 0.929 -6.286 1.00 0.00 H new ATOM 601 N ASN A 110 6.752 0.219 -9.051 1.00 0.00 N ATOM 602 CA ASN A 110 7.576 -0.410 -10.076 1.00 0.00 C ATOM 603 C ASN A 110 8.709 -1.216 -9.446 1.00 0.00 C ATOM 604 O ASN A 110 9.259 -2.124 -10.069 1.00 0.00 O ATOM 605 CB ASN A 110 8.151 0.649 -11.019 1.00 0.00 C ATOM 606 CG ASN A 110 7.285 0.862 -12.244 1.00 0.00 C ATOM 607 OD1 ASN A 110 6.421 1.740 -12.264 1.00 0.00 O ATOM 608 ND2 ASN A 110 7.510 0.057 -13.277 1.00 0.00 N ATOM 0 H ASN A 110 6.875 1.229 -8.973 1.00 0.00 H new ATOM 0 HA ASN A 110 6.944 -1.091 -10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.255 1.592 -10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.151 0.349 -11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.957 0.153 -14.129 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.236 -0.657 -13.218 1.00 0.00 H new ATOM 615 N SER A 111 9.055 -0.878 -8.205 1.00 0.00 N ATOM 616 CA SER A 111 10.122 -1.574 -7.494 1.00 0.00 C ATOM 617 C SER A 111 9.561 -2.710 -6.640 1.00 0.00 C ATOM 618 O SER A 111 10.101 -3.025 -5.579 1.00 0.00 O ATOM 619 CB SER A 111 10.898 -0.594 -6.612 1.00 0.00 C ATOM 620 OG SER A 111 12.281 -0.901 -6.604 1.00 0.00 O ATOM 0 H SER A 111 8.612 -0.128 -7.674 1.00 0.00 H new ATOM 0 HA SER A 111 10.798 -2.002 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.750 0.423 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.509 -0.629 -5.595 1.00 0.00 H new ATOM 0 HG SER A 111 12.755 -0.260 -6.035 1.00 0.00 H new ATOM 626 N VAL A 112 8.479 -3.322 -7.111 1.00 0.00 N ATOM 627 CA VAL A 112 7.849 -4.419 -6.398 1.00 0.00 C ATOM 628 C VAL A 112 8.639 -5.708 -6.586 1.00 0.00 C ATOM 629 O VAL A 112 9.212 -5.951 -7.648 1.00 0.00 O ATOM 630 CB VAL A 112 6.397 -4.633 -6.871 1.00 0.00 C ATOM 631 CG1 VAL A 112 6.358 -5.019 -8.341 1.00 0.00 C ATOM 632 CG2 VAL A 112 5.702 -5.684 -6.016 1.00 0.00 C ATOM 0 H VAL A 112 8.021 -3.073 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 112 7.837 -4.156 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 112 5.860 -3.692 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 112 5.323 -5.165 -8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.808 -4.225 -8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 112 6.915 -5.944 -8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.679 -5.820 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.240 -6.629 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.689 -5.357 -4.976 1.00 0.00 H new ATOM 642 N CYS A 113 8.669 -6.526 -5.543 1.00 0.00 N ATOM 643 CA CYS A 113 9.396 -7.792 -5.580 1.00 0.00 C ATOM 644 C CYS A 113 8.519 -8.935 -6.088 1.00 0.00 C ATOM 645 O CYS A 113 8.862 -10.106 -5.924 1.00 0.00 O ATOM 646 CB CYS A 113 9.933 -8.129 -4.188 1.00 0.00 C ATOM 647 SG CYS A 113 11.750 -8.198 -4.079 1.00 0.00 S ATOM 0 H CYS A 113 8.198 -6.337 -4.658 1.00 0.00 H new ATOM 0 HA CYS A 113 10.227 -7.675 -6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.567 -7.385 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.526 -9.091 -3.878 1.00 0.00 H new ATOM 652 N ALA A 114 7.396 -8.586 -6.711 1.00 0.00 N ATOM 653 CA ALA A 114 6.462 -9.575 -7.256 1.00 0.00 C ATOM 654 C ALA A 114 6.386 -10.828 -6.386 1.00 0.00 C ATOM 655 O ALA A 114 6.257 -11.941 -6.896 1.00 0.00 O ATOM 656 CB ALA A 114 6.863 -9.944 -8.677 1.00 0.00 C ATOM 0 H ALA A 114 7.107 -7.618 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 114 5.470 -9.123 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.163 -10.679 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.845 -9.052 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.868 -10.365 -8.674 1.00 0.00 H new ATOM 662 N GLY A 115 6.476 -10.641 -5.073 1.00 0.00 N ATOM 663 CA GLY A 115 6.426 -11.768 -4.158 1.00 0.00 C ATOM 664 C GLY A 115 5.108 -11.861 -3.408 1.00 0.00 C ATOM 665 O GLY A 115 4.495 -10.839 -3.099 1.00 0.00 O ATOM 0 H GLY A 115 6.583 -9.730 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.587 -12.690 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.242 -11.683 -3.440 1.00 0.00 H new ATOM 669 N PRO A 116 4.645 -13.086 -3.095 1.00 0.00 N ATOM 670 CA PRO A 116 3.384 -13.296 -2.369 1.00 0.00 C ATOM 671 C PRO A 116 3.425 -12.702 -0.962 1.00 0.00 C ATOM 672 O PRO A 116 4.095 -11.695 -0.725 1.00 0.00 O ATOM 673 CB PRO A 116 3.252 -14.827 -2.305 1.00 0.00 C ATOM 674 CG PRO A 116 4.188 -15.350 -3.340 1.00 0.00 C ATOM 675 CD PRO A 116 5.308 -14.358 -3.421 1.00 0.00 C ATOM 0 HA PRO A 116 2.543 -12.808 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.512 -15.202 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.228 -15.142 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.560 -16.337 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.687 -15.453 -4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 116 6.105 -14.590 -2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.758 -14.336 -4.414 1.00 0.00 H new ATOM 683 N GLU A 117 2.702 -13.328 -0.030 1.00 0.00 N ATOM 684 CA GLU A 117 2.649 -12.869 1.357 1.00 0.00 C ATOM 685 C GLU A 117 1.699 -11.685 1.507 1.00 0.00 C ATOM 686 O GLU A 117 0.637 -11.804 2.116 1.00 0.00 O ATOM 687 CB GLU A 117 4.046 -12.492 1.866 1.00 0.00 C ATOM 688 CG GLU A 117 5.128 -13.486 1.476 1.00 0.00 C ATOM 689 CD GLU A 117 5.499 -14.418 2.614 1.00 0.00 C ATOM 690 OE1 GLU A 117 4.743 -15.380 2.863 1.00 0.00 O ATOM 691 OE2 GLU A 117 6.547 -14.187 3.253 1.00 0.00 O ATOM 0 H GLU A 117 2.142 -14.160 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 117 2.271 -13.694 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 117 4.311 -11.509 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.017 -12.408 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.786 -14.075 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.016 -12.943 1.151 1.00 0.00 H new ATOM 698 N ASP A 118 2.085 -10.542 0.947 1.00 0.00 N ATOM 699 CA ASP A 118 1.262 -9.344 1.024 1.00 0.00 C ATOM 700 C ASP A 118 1.749 -8.294 0.034 1.00 0.00 C ATOM 701 O ASP A 118 0.973 -7.772 -0.766 1.00 0.00 O ATOM 702 CB ASP A 118 1.283 -8.775 2.443 1.00 0.00 C ATOM 703 CG ASP A 118 0.122 -9.271 3.283 1.00 0.00 C ATOM 704 OD1 ASP A 118 -1.035 -8.942 2.950 1.00 0.00 O ATOM 705 OD2 ASP A 118 0.371 -9.991 4.273 1.00 0.00 O ATOM 0 H ASP A 118 2.960 -10.422 0.437 1.00 0.00 H new ATOM 0 HA ASP A 118 0.238 -9.616 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 118 2.221 -9.048 2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.254 -7.686 2.395 1.00 0.00 H new ATOM 710 N ASN A 119 3.041 -7.987 0.093 1.00 0.00 N ATOM 711 CA ASN A 119 3.631 -6.997 -0.797 1.00 0.00 C ATOM 712 C ASN A 119 5.122 -6.827 -0.520 1.00 0.00 C ATOM 713 O ASN A 119 5.513 -6.230 0.481 1.00 0.00 O ATOM 714 CB ASN A 119 2.919 -5.653 -0.636 1.00 0.00 C ATOM 715 CG ASN A 119 2.831 -4.884 -1.940 1.00 0.00 C ATOM 716 OD1 ASN A 119 2.620 -5.465 -3.004 1.00 0.00 O ATOM 717 ND2 ASN A 119 2.991 -3.569 -1.862 1.00 0.00 N ATOM 0 H ASN A 119 3.698 -8.410 0.748 1.00 0.00 H new ATOM 0 HA ASN A 119 3.510 -7.351 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 119 1.914 -5.822 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.448 -5.051 0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 119 2.941 -2.998 -2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 119 3.164 -3.129 -0.958 1.00 0.00 H new ATOM 724 N SER A 120 5.949 -7.351 -1.419 1.00 0.00 N ATOM 725 CA SER A 120 7.395 -7.250 -1.276 1.00 0.00 C ATOM 726 C SER A 120 7.931 -6.076 -2.090 1.00 0.00 C ATOM 727 O SER A 120 7.535 -5.873 -3.237 1.00 0.00 O ATOM 728 CB SER A 120 8.068 -8.550 -1.720 1.00 0.00 C ATOM 729 OG SER A 120 7.524 -9.015 -2.943 1.00 0.00 O ATOM 0 H SER A 120 5.641 -7.850 -2.254 1.00 0.00 H new ATOM 0 HA SER A 120 7.625 -7.079 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.140 -8.388 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.941 -9.310 -0.950 1.00 0.00 H new ATOM 0 HG SER A 120 7.236 -8.251 -3.484 1.00 0.00 H new ATOM 735 N VAL A 121 8.825 -5.302 -1.487 1.00 0.00 N ATOM 736 CA VAL A 121 9.405 -4.142 -2.154 1.00 0.00 C ATOM 737 C VAL A 121 10.921 -4.270 -2.267 1.00 0.00 C ATOM 738 O VAL A 121 11.541 -5.065 -1.561 1.00 0.00 O ATOM 739 CB VAL A 121 9.063 -2.839 -1.404 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.446 -1.623 -2.234 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.586 -2.801 -1.043 1.00 0.00 C ATOM 0 H VAL A 121 9.164 -5.456 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 121 8.974 -4.103 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 121 9.641 -2.815 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.196 -0.715 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.517 -1.642 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.900 -1.639 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.364 -1.874 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.988 -2.852 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.346 -3.650 -0.403 1.00 0.00 H new ATOM 751 N CYS A 122 11.512 -3.479 -3.159 1.00 0.00 N ATOM 752 CA CYS A 122 12.956 -3.500 -3.361 1.00 0.00 C ATOM 753 C CYS A 122 13.585 -2.199 -2.875 1.00 0.00 C ATOM 754 O CYS A 122 13.206 -1.113 -3.311 1.00 0.00 O ATOM 755 CB CYS A 122 13.284 -3.713 -4.840 1.00 0.00 C ATOM 756 SG CYS A 122 12.794 -5.345 -5.488 1.00 0.00 S ATOM 0 H CYS A 122 11.013 -2.816 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 122 13.368 -4.327 -2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.788 -2.939 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.357 -3.584 -4.985 1.00 0.00 H new ATOM 761 N CYS A 123 14.547 -2.318 -1.967 1.00 0.00 N ATOM 762 CA CYS A 123 15.229 -1.155 -1.416 1.00 0.00 C ATOM 763 C CYS A 123 16.734 -1.241 -1.652 1.00 0.00 C ATOM 764 O CYS A 123 17.394 -2.167 -1.179 1.00 0.00 O ATOM 765 CB CYS A 123 14.941 -1.032 0.081 1.00 0.00 C ATOM 766 SG CYS A 123 13.259 -0.453 0.470 1.00 0.00 S ATOM 0 H CYS A 123 14.872 -3.211 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 123 14.852 -0.269 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.097 -2.003 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.662 -0.344 0.523 1.00 0.00 H new ATOM 771 N GLY A 124 17.270 -0.271 -2.386 1.00 0.00 N ATOM 772 CA GLY A 124 18.693 -0.255 -2.672 1.00 0.00 C ATOM 773 C GLY A 124 19.363 1.022 -2.210 1.00 0.00 C ATOM 774 O GLY A 124 18.642 2.001 -1.922 1.00 0.00 O ATOM 775 OXT GLY A 124 20.610 1.046 -2.135 1.00 0.00 O ATOM 0 H GLY A 124 16.744 0.505 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.168 -1.107 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.846 -0.374 -3.745 1.00 0.00 H new TER 779 GLY A 124