USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 308 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 108 CYS SG : rot 130:sc= 1.9 USER MOD Set 1.2: A 111 CYS SG : rot 180:sc= 0.0977 USER MOD Set 1.3: A 134 CYS SG : rot 180:sc= 0.956 USER MOD Set 1.4: A 137 CYS SG : rot 145:sc= 0.234 USER MOD Set 2.1: A 110 TYR OH : rot 40:sc= 0.325 USER MOD Set 2.2: A 141 GLN : amide:sc= 0.307 X(o=0.63,f=0.72) USER MOD Set 3.1: A 92 CYS SG : rot 145:sc= 1.85 USER MOD Set 3.2: A 95 CYS SG : rot -15:sc= 0.749 USER MOD Set 3.3: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 116 CYS SG : rot -132:sc= 0.846 USER MOD Set 3.5: A 119 CYS SG : rot 89:sc= -1.59 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-3.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.0617 (180deg=-0.387) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -3.04 F(o=-4.5!,f=-3) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.206 F(o=-2.6,f=-0.21) USER MOD Single : A 109 SER OG : rot 133:sc= 0.194 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.294 F(o=-1.7,f=-0.29) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -3.87 K(o=-3.9,f=-14!) USER MOD Single : A 139 LYS NZ :NH3+ 168:sc= -0.0163 (180deg=-0.265) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.507 0.888 1.181 1.00 0.00 N ATOM 102 CA PRO A 90 -11.094 0.701 0.877 1.00 0.00 C ATOM 103 C PRO A 90 -10.672 -0.729 1.171 1.00 0.00 C ATOM 104 O PRO A 90 -10.861 -1.212 2.285 1.00 0.00 O ATOM 105 CB PRO A 90 -10.383 1.678 1.827 1.00 0.00 C ATOM 106 CG PRO A 90 -11.466 2.361 2.610 1.00 0.00 C ATOM 107 CD PRO A 90 -12.678 1.482 2.507 1.00 0.00 C ATOM 0 HA PRO A 90 -10.858 0.883 -0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.698 1.148 2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.790 2.402 1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.169 2.494 3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.670 3.353 2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.703 0.727 3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.604 2.052 2.583 1.00 0.00 H new ATOM 115 N THR A 91 -10.097 -1.406 0.185 1.00 0.00 N ATOM 116 CA THR A 91 -9.698 -2.794 0.373 1.00 0.00 C ATOM 117 C THR A 91 -8.291 -3.085 -0.131 1.00 0.00 C ATOM 118 O THR A 91 -7.823 -2.501 -1.108 1.00 0.00 O ATOM 119 CB THR A 91 -10.678 -3.754 -0.322 1.00 0.00 C ATOM 120 OG1 THR A 91 -11.065 -3.224 -1.597 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.910 -3.982 0.538 1.00 0.00 C ATOM 0 H THR A 91 -9.899 -1.023 -0.740 1.00 0.00 H new ATOM 0 HA THR A 91 -9.713 -2.957 1.451 1.00 0.00 H new ATOM 0 HB THR A 91 -10.176 -4.710 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.688 -3.843 -2.033 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.589 -4.664 0.027 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.612 -4.415 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.413 -3.031 0.712 1.00 0.00 H new ATOM 129 N CYS A 92 -7.634 -4.005 0.565 1.00 0.00 N ATOM 130 CA CYS A 92 -6.285 -4.439 0.228 1.00 0.00 C ATOM 131 C CYS A 92 -6.288 -5.231 -1.080 1.00 0.00 C ATOM 132 O CYS A 92 -7.171 -6.060 -1.308 1.00 0.00 O ATOM 133 CB CYS A 92 -5.754 -5.297 1.375 1.00 0.00 C ATOM 134 SG CYS A 92 -4.096 -5.967 1.136 1.00 0.00 S ATOM 0 H CYS A 92 -8.025 -4.473 1.383 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.641 -3.571 0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.758 -4.699 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.443 -6.126 1.535 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.469 -5.991 2.275 1.00 0.00 H new ATOM 139 N GLY A 93 -5.294 -4.984 -1.935 1.00 0.00 N ATOM 140 CA GLY A 93 -5.218 -5.678 -3.212 1.00 0.00 C ATOM 141 C GLY A 93 -4.550 -7.041 -3.122 1.00 0.00 C ATOM 142 O GLY A 93 -4.181 -7.623 -4.141 1.00 0.00 O ATOM 0 H GLY A 93 -4.542 -4.317 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.225 -5.801 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.668 -5.059 -3.921 1.00 0.00 H new ATOM 146 N ILE A 94 -4.394 -7.550 -1.906 1.00 0.00 N ATOM 147 CA ILE A 94 -3.772 -8.848 -1.690 1.00 0.00 C ATOM 148 C ILE A 94 -4.725 -9.782 -0.953 1.00 0.00 C ATOM 149 O ILE A 94 -5.227 -10.750 -1.524 1.00 0.00 O ATOM 150 CB ILE A 94 -2.458 -8.712 -0.890 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.451 -7.877 -1.673 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.868 -10.079 -0.574 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.651 -6.386 -1.530 1.00 0.00 C ATOM 0 H ILE A 94 -4.692 -7.080 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.541 -9.269 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.683 -8.211 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.445 -8.133 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.515 -8.143 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.943 -9.955 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.580 -10.654 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.658 -10.608 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.897 -5.860 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.644 -6.116 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.557 -6.105 -0.481 1.00 0.00 H new ATOM 165 N CYS A 95 -4.968 -9.485 0.318 1.00 0.00 N ATOM 166 CA CYS A 95 -5.866 -10.297 1.131 1.00 0.00 C ATOM 167 C CYS A 95 -7.315 -9.808 1.033 1.00 0.00 C ATOM 168 O CYS A 95 -8.231 -10.463 1.533 1.00 0.00 O ATOM 169 CB CYS A 95 -5.407 -10.319 2.593 1.00 0.00 C ATOM 170 SG CYS A 95 -4.954 -8.689 3.276 1.00 0.00 S ATOM 0 H CYS A 95 -4.557 -8.690 0.807 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.830 -11.313 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.204 -10.744 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.549 -10.985 2.680 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.808 -7.837 2.305 1.00 0.00 H new ATOM 175 N HIS A 96 -7.517 -8.653 0.391 1.00 0.00 N ATOM 176 CA HIS A 96 -8.853 -8.084 0.220 1.00 0.00 C ATOM 177 C HIS A 96 -9.662 -8.148 1.512 1.00 0.00 C ATOM 178 O HIS A 96 -10.892 -8.196 1.481 1.00 0.00 O ATOM 179 CB HIS A 96 -9.600 -8.808 -0.902 1.00 0.00 C ATOM 180 CG HIS A 96 -9.576 -10.299 -0.772 1.00 0.00 C ATOM 181 ND1 HIS A 96 -10.515 -11.009 -0.053 1.00 0.00 N ATOM 182 CD2 HIS A 96 -8.719 -11.218 -1.276 1.00 0.00 C ATOM 183 CE1 HIS A 96 -10.236 -12.298 -0.119 1.00 0.00 C ATOM 184 NE2 HIS A 96 -9.152 -12.451 -0.857 1.00 0.00 N ATOM 0 H HIS A 96 -6.769 -8.094 -0.019 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.731 -7.034 -0.047 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.636 -8.469 -0.915 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.161 -8.528 -1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.855 -11.018 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.798 -13.091 0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.708 -13.342 -1.080 1.00 0.00 H new ATOM 193 N LYS A 97 -8.967 -8.137 2.644 1.00 0.00 N ATOM 194 CA LYS A 97 -9.623 -8.193 3.945 1.00 0.00 C ATOM 195 C LYS A 97 -9.427 -6.884 4.701 1.00 0.00 C ATOM 196 O LYS A 97 -10.392 -6.221 5.079 1.00 0.00 O ATOM 197 CB LYS A 97 -9.072 -9.358 4.769 1.00 0.00 C ATOM 198 CG LYS A 97 -9.599 -9.399 6.195 1.00 0.00 C ATOM 199 CD LYS A 97 -11.105 -9.605 6.230 1.00 0.00 C ATOM 200 CE LYS A 97 -11.501 -10.930 5.599 1.00 0.00 C ATOM 201 NZ LYS A 97 -12.959 -11.197 5.734 1.00 0.00 N ATOM 0 H LYS A 97 -7.949 -8.090 2.687 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.690 -8.347 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.323 -10.295 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.984 -9.292 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.108 -10.204 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.347 -8.469 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.454 -9.574 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.597 -8.788 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.229 -10.925 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.939 -11.738 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.187 -12.110 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.214 -11.228 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.496 -10.440 5.264 1.00 0.00 H new ATOM 215 N THR A 98 -8.168 -6.522 4.919 1.00 0.00 N ATOM 216 CA THR A 98 -7.834 -5.293 5.623 1.00 0.00 C ATOM 217 C THR A 98 -8.322 -4.071 4.851 1.00 0.00 C ATOM 218 O THR A 98 -7.850 -3.796 3.748 1.00 0.00 O ATOM 219 CB THR A 98 -6.311 -5.186 5.850 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.864 -6.259 6.688 1.00 0.00 O ATOM 221 CG2 THR A 98 -5.936 -3.854 6.484 1.00 0.00 C ATOM 0 H THR A 98 -7.360 -7.066 4.616 1.00 0.00 H new ATOM 0 HA THR A 98 -8.336 -5.323 6.590 1.00 0.00 H new ATOM 0 HB THR A 98 -5.823 -5.251 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.897 -6.185 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.857 -3.812 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.246 -3.039 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.437 -3.756 7.447 1.00 0.00 H new ATOM 229 N LYS A 99 -9.268 -3.341 5.435 1.00 0.00 N ATOM 230 CA LYS A 99 -9.806 -2.151 4.799 1.00 0.00 C ATOM 231 C LYS A 99 -9.051 -0.915 5.265 1.00 0.00 C ATOM 232 O LYS A 99 -8.927 -0.665 6.464 1.00 0.00 O ATOM 233 CB LYS A 99 -11.294 -2.005 5.116 1.00 0.00 C ATOM 234 CG LYS A 99 -12.114 -3.223 4.732 1.00 0.00 C ATOM 235 CD LYS A 99 -13.528 -3.140 5.285 1.00 0.00 C ATOM 236 CE LYS A 99 -14.307 -4.417 5.015 1.00 0.00 C ATOM 237 NZ LYS A 99 -13.677 -5.599 5.666 1.00 0.00 N ATOM 0 H LYS A 99 -9.675 -3.555 6.346 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.685 -2.252 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.414 -1.817 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.686 -1.133 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.151 -3.310 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.628 -4.123 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.490 -2.956 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.047 -2.294 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.328 -4.303 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.369 -4.584 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.369 -6.373 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.858 -5.909 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.363 -5.342 6.624 1.00 0.00 H new ATOM 251 N PHE A 100 -8.551 -0.147 4.310 1.00 0.00 N ATOM 252 CA PHE A 100 -7.799 1.061 4.624 1.00 0.00 C ATOM 253 C PHE A 100 -8.611 1.986 5.526 1.00 0.00 C ATOM 254 O PHE A 100 -9.805 1.771 5.736 1.00 0.00 O ATOM 255 CB PHE A 100 -7.399 1.798 3.344 1.00 0.00 C ATOM 256 CG PHE A 100 -6.803 0.904 2.295 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.814 -0.009 2.622 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.226 0.986 0.978 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.255 -0.823 1.655 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.673 0.174 0.007 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.687 -0.731 0.345 1.00 0.00 C ATOM 0 H PHE A 100 -8.651 -0.337 3.313 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.894 0.763 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.278 2.293 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.681 2.579 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.476 -0.086 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.997 1.693 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.483 -1.529 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.012 0.247 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.254 -1.366 -0.413 1.00 0.00 H new ATOM 311 N GLY A 105 -5.199 3.324 1.114 1.00 0.00 N ATOM 312 CA GLY A 105 -4.253 2.983 2.162 1.00 0.00 C ATOM 313 C GLY A 105 -2.814 3.080 1.702 1.00 0.00 C ATOM 314 O GLY A 105 -2.365 4.139 1.261 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.404 3.647 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.452 1.969 2.510 1.00 0.00 H new ATOM 318 N HIS A 106 -2.093 1.972 1.802 1.00 0.00 N ATOM 319 CA HIS A 106 -0.694 1.931 1.394 1.00 0.00 C ATOM 320 C HIS A 106 -0.574 1.403 -0.030 1.00 0.00 C ATOM 321 O HIS A 106 -1.054 0.314 -0.340 1.00 0.00 O ATOM 322 CB HIS A 106 0.114 1.057 2.354 1.00 0.00 C ATOM 323 CG HIS A 106 -0.035 1.460 3.788 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.237 2.631 4.412 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 -0.523 0.614 4.762 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 -0.090 2.472 5.736 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 -0.547 1.248 5.922 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.453 1.088 2.162 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.293 2.944 1.425 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.199 0.019 2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.167 1.104 2.078 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.614 3.474 3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.837 -0.407 4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.011 3.227 6.502 1.00 0.00 H new ATOM 336 N ASN A 107 0.071 2.182 -0.892 1.00 0.00 N ATOM 337 CA ASN A 107 0.238 1.797 -2.288 1.00 0.00 C ATOM 338 C ASN A 107 1.702 1.534 -2.617 1.00 0.00 C ATOM 339 O ASN A 107 2.583 2.314 -2.251 1.00 0.00 O ATOM 340 CB ASN A 107 -0.310 2.892 -3.205 1.00 0.00 C ATOM 341 CG ASN A 107 -1.643 3.449 -2.732 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.438 2.623 -2.054 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -1.955 4.615 -2.973 1.00 0.00 N flip ATOM 0 H ASN A 107 0.486 3.082 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.320 0.875 -2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.415 3.703 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.426 2.491 -4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.318 5.216 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.851 4.980 -2.650 1.00 0.00 H new ATOM 350 N CYS A 108 1.954 0.430 -3.312 1.00 0.00 N ATOM 351 CA CYS A 108 3.310 0.062 -3.696 1.00 0.00 C ATOM 352 C CYS A 108 3.965 1.178 -4.501 1.00 0.00 C ATOM 353 O CYS A 108 3.448 1.597 -5.533 1.00 0.00 O ATOM 354 CB CYS A 108 3.295 -1.223 -4.525 1.00 0.00 C ATOM 355 SG CYS A 108 4.934 -1.919 -4.842 1.00 0.00 S ATOM 0 H CYS A 108 1.236 -0.225 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 108 3.887 -0.101 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.690 -1.968 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.807 -1.021 -5.479 1.00 0.00 H new ATOM 0 HG CYS A 108 4.937 -3.181 -4.529 1.00 0.00 H new ATOM 360 N SER A 109 5.109 1.649 -4.027 1.00 0.00 N ATOM 361 CA SER A 109 5.835 2.713 -4.708 1.00 0.00 C ATOM 362 C SER A 109 6.212 2.295 -6.128 1.00 0.00 C ATOM 363 O SER A 109 6.545 3.137 -6.962 1.00 0.00 O ATOM 364 CB SER A 109 7.092 3.086 -3.921 1.00 0.00 C ATOM 365 OG SER A 109 7.806 4.128 -4.564 1.00 0.00 O ATOM 0 H SER A 109 5.555 1.312 -3.174 1.00 0.00 H new ATOM 0 HA SER A 109 5.182 3.583 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.815 3.398 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.734 2.211 -3.818 1.00 0.00 H new ATOM 0 HG SER A 109 8.041 4.817 -3.908 1.00 0.00 H new ATOM 371 N TYR A 110 6.159 0.991 -6.399 1.00 0.00 N ATOM 372 CA TYR A 110 6.501 0.470 -7.715 1.00 0.00 C ATOM 373 C TYR A 110 5.250 0.058 -8.497 1.00 0.00 C ATOM 374 O TYR A 110 4.822 0.755 -9.418 1.00 0.00 O ATOM 375 CB TYR A 110 7.452 -0.721 -7.571 1.00 0.00 C ATOM 376 CG TYR A 110 8.724 -0.393 -6.818 1.00 0.00 C ATOM 377 CD1 TYR A 110 8.797 -0.532 -5.435 1.00 0.00 C ATOM 378 CD2 TYR A 110 9.852 0.056 -7.493 1.00 0.00 C ATOM 379 CE1 TYR A 110 9.960 -0.233 -4.750 1.00 0.00 C ATOM 380 CE2 TYR A 110 11.017 0.357 -6.813 1.00 0.00 C ATOM 381 CZ TYR A 110 11.066 0.212 -5.443 1.00 0.00 C ATOM 382 OH TYR A 110 12.224 0.510 -4.764 1.00 0.00 O ATOM 0 H TYR A 110 5.882 0.279 -5.723 1.00 0.00 H new ATOM 0 HA TYR A 110 6.996 1.263 -8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.933 -1.530 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.712 -1.090 -8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.932 -0.879 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.818 0.172 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.002 -0.347 -3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.886 0.704 -7.353 1.00 0.00 H new ATOM 0 HH TYR A 110 12.370 -0.155 -4.059 1.00 0.00 H new ATOM 392 N CYS A 111 4.670 -1.080 -8.124 1.00 0.00 N ATOM 393 CA CYS A 111 3.474 -1.599 -8.786 1.00 0.00 C ATOM 394 C CYS A 111 2.293 -0.642 -8.650 1.00 0.00 C ATOM 395 O CYS A 111 1.368 -0.674 -9.458 1.00 0.00 O ATOM 396 CB CYS A 111 3.082 -2.956 -8.195 1.00 0.00 C ATOM 397 SG CYS A 111 4.480 -4.075 -7.870 1.00 0.00 S ATOM 0 H CYS A 111 5.011 -1.665 -7.361 1.00 0.00 H new ATOM 0 HA CYS A 111 3.715 -1.708 -9.843 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.543 -2.789 -7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.391 -3.449 -8.879 1.00 0.00 H new ATOM 0 HG CYS A 111 4.036 -5.190 -7.370 1.00 0.00 H new ATOM 402 N GLN A 112 2.328 0.196 -7.617 1.00 0.00 N ATOM 403 CA GLN A 112 1.252 1.153 -7.362 1.00 0.00 C ATOM 404 C GLN A 112 0.008 0.457 -6.803 1.00 0.00 C ATOM 405 O GLN A 112 -1.021 1.099 -6.591 1.00 0.00 O ATOM 406 CB GLN A 112 0.892 1.918 -8.639 1.00 0.00 C ATOM 407 CG GLN A 112 2.094 2.526 -9.343 1.00 0.00 C ATOM 408 CD GLN A 112 2.802 3.562 -8.491 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.759 3.114 -7.687 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 2.489 4.752 -8.552 1.00 0.00 N flip ATOM 0 H GLN A 112 3.091 0.232 -6.941 1.00 0.00 H new ATOM 0 HA GLN A 112 1.614 1.860 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.382 1.242 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.187 2.711 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.796 1.735 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.770 2.987 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.747 5.052 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.972 5.437 -7.970 1.00 0.00 H new ATOM 419 N THR A 113 0.103 -0.852 -6.561 1.00 0.00 N ATOM 420 CA THR A 113 -1.022 -1.611 -6.028 1.00 0.00 C ATOM 421 C THR A 113 -1.359 -1.173 -4.610 1.00 0.00 C ATOM 422 O THR A 113 -0.476 -0.797 -3.838 1.00 0.00 O ATOM 423 CB THR A 113 -0.738 -3.126 -6.027 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.442 -3.572 -7.356 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.930 -3.902 -5.483 1.00 0.00 C ATOM 0 H THR A 113 0.945 -1.404 -6.726 1.00 0.00 H new ATOM 0 HA THR A 113 -1.870 -1.410 -6.682 1.00 0.00 H new ATOM 0 HB THR A 113 0.121 -3.309 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.261 -4.535 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.705 -4.968 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.136 -3.584 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.804 -3.710 -6.106 1.00 0.00 H new ATOM 433 N LYS A 114 -2.643 -1.220 -4.272 1.00 0.00 N ATOM 434 CA LYS A 114 -3.094 -0.835 -2.942 1.00 0.00 C ATOM 435 C LYS A 114 -3.018 -2.017 -1.984 1.00 0.00 C ATOM 436 O LYS A 114 -3.748 -2.995 -2.134 1.00 0.00 O ATOM 437 CB LYS A 114 -4.527 -0.308 -2.994 1.00 0.00 C ATOM 438 CG LYS A 114 -4.734 0.804 -4.006 1.00 0.00 C ATOM 439 CD LYS A 114 -6.181 1.267 -4.033 1.00 0.00 C ATOM 440 CE LYS A 114 -6.395 2.375 -5.051 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.813 2.827 -5.088 1.00 0.00 N ATOM 0 H LYS A 114 -3.388 -1.521 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.437 -0.045 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.199 -1.133 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.806 0.056 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.086 1.646 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.444 0.455 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.829 0.424 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.469 1.621 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.751 3.220 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.100 2.022 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.918 3.583 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.426 2.027 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.087 3.187 -4.152 1.00 0.00 H new ATOM 455 N PHE A 115 -2.132 -1.921 -1.001 1.00 0.00 N ATOM 456 CA PHE A 115 -1.970 -2.988 -0.022 1.00 0.00 C ATOM 457 C PHE A 115 -2.083 -2.460 1.401 1.00 0.00 C ATOM 458 O PHE A 115 -1.980 -1.256 1.646 1.00 0.00 O ATOM 459 CB PHE A 115 -0.636 -3.712 -0.218 1.00 0.00 C ATOM 460 CG PHE A 115 0.574 -2.824 -0.170 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.912 -2.140 0.987 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.384 -2.687 -1.286 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.037 -1.337 1.029 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.506 -1.885 -1.250 1.00 0.00 C ATOM 465 CZ PHE A 115 2.834 -1.210 -0.093 1.00 0.00 C ATOM 0 H PHE A 115 -1.517 -1.119 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.778 -3.702 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.538 -4.478 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.655 -4.226 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.290 -2.235 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.134 -3.214 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.292 -0.810 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.127 -1.786 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.713 -0.583 -0.064 1.00 0.00 H new ATOM 475 N CYS A 116 -2.299 -3.378 2.336 1.00 0.00 N ATOM 476 CA CYS A 116 -2.442 -3.033 3.741 1.00 0.00 C ATOM 477 C CYS A 116 -1.079 -2.990 4.427 1.00 0.00 C ATOM 478 O CYS A 116 -0.069 -3.379 3.840 1.00 0.00 O ATOM 479 CB CYS A 116 -3.358 -4.044 4.435 1.00 0.00 C ATOM 480 SG CYS A 116 -2.700 -5.744 4.474 1.00 0.00 S ATOM 0 H CYS A 116 -2.379 -4.376 2.141 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.890 -2.042 3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.538 -3.712 5.458 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.323 -4.051 3.928 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.625 -6.576 4.098 1.00 0.00 H new ATOM 485 N ALA A 117 -1.055 -2.520 5.666 1.00 0.00 N ATOM 486 CA ALA A 117 0.190 -2.427 6.422 1.00 0.00 C ATOM 487 C ALA A 117 0.877 -3.785 6.548 1.00 0.00 C ATOM 488 O ALA A 117 2.071 -3.859 6.839 1.00 0.00 O ATOM 489 CB ALA A 117 -0.075 -1.844 7.801 1.00 0.00 C ATOM 0 H ALA A 117 -1.881 -2.197 6.170 1.00 0.00 H new ATOM 0 HA ALA A 117 0.861 -1.765 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.862 -1.780 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.505 -0.848 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.772 -2.486 8.340 1.00 0.00 H new ATOM 495 N ARG A 118 0.124 -4.859 6.328 1.00 0.00 N ATOM 496 CA ARG A 118 0.673 -6.207 6.434 1.00 0.00 C ATOM 497 C ARG A 118 1.099 -6.764 5.076 1.00 0.00 C ATOM 498 O ARG A 118 1.813 -7.764 5.012 1.00 0.00 O ATOM 499 CB ARG A 118 -0.343 -7.140 7.092 1.00 0.00 C ATOM 500 CG ARG A 118 -0.593 -6.818 8.557 1.00 0.00 C ATOM 501 CD ARG A 118 -1.554 -7.808 9.191 1.00 0.00 C ATOM 502 NE ARG A 118 -1.695 -7.586 10.627 1.00 0.00 N ATOM 503 CZ ARG A 118 -2.628 -8.167 11.375 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.504 -8.995 10.823 1.00 0.00 N ATOM 505 NH2 ARG A 118 -2.684 -7.917 12.676 1.00 0.00 N ATOM 0 H ARG A 118 -0.864 -4.823 6.076 1.00 0.00 H new ATOM 0 HA ARG A 118 1.566 -6.147 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.286 -7.081 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.010 -8.168 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.353 -6.830 9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -0.998 -5.810 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.530 -7.724 8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.199 -8.823 9.014 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.041 -6.949 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.463 -9.188 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.219 -9.439 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -2.012 -7.279 13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.400 -8.362 13.251 1.00 0.00 H new ATOM 519 N CYS A 119 0.662 -6.126 3.994 1.00 0.00 N ATOM 520 CA CYS A 119 1.022 -6.581 2.657 1.00 0.00 C ATOM 521 C CYS A 119 1.997 -5.614 1.996 1.00 0.00 C ATOM 522 O CYS A 119 1.975 -5.420 0.781 1.00 0.00 O ATOM 523 CB CYS A 119 -0.225 -6.744 1.792 1.00 0.00 C ATOM 524 SG CYS A 119 -1.216 -8.219 2.198 1.00 0.00 S ATOM 0 H CYS A 119 0.064 -5.300 4.017 1.00 0.00 H new ATOM 0 HA CYS A 119 1.512 -7.550 2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.849 -5.857 1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.075 -6.796 0.745 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.081 -7.920 3.121 1.00 0.00 H new ATOM 529 N GLY A 120 2.854 -5.013 2.811 1.00 0.00 N ATOM 530 CA GLY A 120 3.835 -4.075 2.303 1.00 0.00 C ATOM 531 C GLY A 120 4.833 -3.651 3.365 1.00 0.00 C ATOM 532 O GLY A 120 5.029 -4.355 4.355 1.00 0.00 O ATOM 0 H GLY A 120 2.887 -5.160 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.368 -4.528 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.324 -3.194 1.915 1.00 0.00 H new ATOM 536 N GLY A 121 5.463 -2.499 3.161 1.00 0.00 N ATOM 537 CA GLY A 121 6.435 -2.010 4.120 1.00 0.00 C ATOM 538 C GLY A 121 6.636 -0.509 4.034 1.00 0.00 C ATOM 539 O GLY A 121 6.312 0.110 3.021 1.00 0.00 O ATOM 0 H GLY A 121 5.318 -1.897 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.110 -2.272 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.389 -2.511 3.952 1.00 0.00 H new ATOM 543 N ARG A 122 7.173 0.075 5.099 1.00 0.00 N ATOM 544 CA ARG A 122 7.419 1.510 5.143 1.00 0.00 C ATOM 545 C ARG A 122 8.798 1.839 4.580 1.00 0.00 C ATOM 546 O ARG A 122 9.796 1.226 4.961 1.00 0.00 O ATOM 547 CB ARG A 122 7.302 2.020 6.581 1.00 0.00 C ATOM 548 CG ARG A 122 7.556 3.510 6.723 1.00 0.00 C ATOM 549 CD ARG A 122 7.373 3.971 8.161 1.00 0.00 C ATOM 550 NE ARG A 122 6.037 3.663 8.666 1.00 0.00 N ATOM 551 CZ ARG A 122 5.624 3.972 9.891 1.00 0.00 C ATOM 552 NH1 ARG A 122 6.436 4.600 10.731 1.00 0.00 N ATOM 553 NH2 ARG A 122 4.397 3.653 10.278 1.00 0.00 N ATOM 0 H ARG A 122 7.447 -0.425 5.945 1.00 0.00 H new ATOM 0 HA ARG A 122 6.669 2.007 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.305 1.793 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.010 1.478 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.568 3.741 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.875 4.060 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.120 3.491 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.546 5.045 8.223 1.00 0.00 H new ATOM 0 HE ARG A 122 5.385 3.184 8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.381 4.848 10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.115 4.835 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.769 3.170 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.081 3.890 11.218 1.00 0.00 H new ATOM 700 N MET A 131 7.099 6.353 1.481 1.00 0.00 N ATOM 701 CA MET A 131 6.693 5.476 0.388 1.00 0.00 C ATOM 702 C MET A 131 6.512 4.049 0.878 1.00 0.00 C ATOM 703 O MET A 131 7.301 3.545 1.678 1.00 0.00 O ATOM 704 CB MET A 131 7.720 5.505 -0.739 1.00 0.00 C ATOM 705 CG MET A 131 8.040 6.904 -1.228 1.00 0.00 C ATOM 706 SD MET A 131 9.005 6.905 -2.751 1.00 0.00 S ATOM 707 CE MET A 131 9.149 8.662 -3.062 1.00 0.00 C ATOM 0 HA MET A 131 5.739 5.841 0.007 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.639 5.030 -0.395 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.348 4.913 -1.575 1.00 0.00 H new ATOM 0 HG2 MET A 131 7.110 7.449 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.590 7.438 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.722 8.824 -3.975 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.155 9.094 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.658 9.139 -2.224 1.00 0.00 H new ATOM 717 N TRP A 132 5.466 3.406 0.386 1.00 0.00 N ATOM 718 CA TRP A 132 5.161 2.035 0.766 1.00 0.00 C ATOM 719 C TRP A 132 5.463 1.069 -0.372 1.00 0.00 C ATOM 720 O TRP A 132 5.191 1.360 -1.534 1.00 0.00 O ATOM 721 CB TRP A 132 3.696 1.919 1.187 1.00 0.00 C ATOM 722 CG TRP A 132 3.444 2.412 2.578 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.233 3.703 2.968 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.384 1.617 3.765 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.043 3.759 4.329 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.130 2.490 4.840 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.518 0.251 4.022 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.009 2.039 6.152 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.397 -0.196 5.325 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.146 0.696 6.376 1.00 0.00 C ATOM 0 H TRP A 132 4.810 3.813 -0.281 1.00 0.00 H new ATOM 0 HA TRP A 132 5.795 1.767 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.078 2.485 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.385 0.877 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.218 4.555 2.305 1.00 0.00 H new ATOM 0 HE1 TRP A 132 2.866 4.606 4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.713 -0.443 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 2.814 2.724 6.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.498 -1.250 5.536 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.059 0.316 7.383 1.00 0.00 H new ATOM 741 N VAL A 133 6.025 -0.083 -0.025 1.00 0.00 N ATOM 742 CA VAL A 133 6.367 -1.101 -1.012 1.00 0.00 C ATOM 743 C VAL A 133 5.829 -2.467 -0.586 1.00 0.00 C ATOM 744 O VAL A 133 6.071 -2.919 0.534 1.00 0.00 O ATOM 745 CB VAL A 133 7.894 -1.179 -1.215 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.253 -2.271 -2.206 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.435 0.162 -1.687 1.00 0.00 C ATOM 0 H VAL A 133 6.254 -0.336 0.936 1.00 0.00 H new ATOM 0 HA VAL A 133 5.904 -0.818 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 133 8.352 -1.424 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.335 -2.306 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.900 -3.232 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.782 -2.060 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.514 0.091 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 133 7.965 0.432 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.215 0.926 -0.941 1.00 0.00 H new ATOM 757 N CYS A 134 5.097 -3.118 -1.486 1.00 0.00 N ATOM 758 CA CYS A 134 4.504 -4.423 -1.198 1.00 0.00 C ATOM 759 C CYS A 134 5.562 -5.452 -0.815 1.00 0.00 C ATOM 760 O CYS A 134 6.725 -5.350 -1.207 1.00 0.00 O ATOM 761 CB CYS A 134 3.699 -4.929 -2.398 1.00 0.00 C ATOM 762 SG CYS A 134 4.702 -5.341 -3.864 1.00 0.00 S ATOM 0 H CYS A 134 4.899 -2.764 -2.422 1.00 0.00 H new ATOM 0 HA CYS A 134 3.835 -4.292 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.139 -5.814 -2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.968 -4.169 -2.675 1.00 0.00 H new ATOM 0 HG CYS A 134 3.924 -5.760 -4.818 1.00 0.00 H new ATOM 767 N ASN A 135 5.133 -6.445 -0.041 1.00 0.00 N ATOM 768 CA ASN A 135 6.013 -7.514 0.427 1.00 0.00 C ATOM 769 C ASN A 135 6.728 -8.213 -0.728 1.00 0.00 C ATOM 770 O ASN A 135 7.746 -8.876 -0.521 1.00 0.00 O ATOM 771 CB ASN A 135 5.211 -8.536 1.234 1.00 0.00 C ATOM 772 CG ASN A 135 4.061 -9.126 0.443 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.123 -9.232 -0.782 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.001 -9.516 1.143 1.00 0.00 N ATOM 0 H ASN A 135 4.169 -6.532 0.279 1.00 0.00 H new ATOM 0 HA ASN A 135 6.774 -7.058 1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 135 5.874 -9.338 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 135 4.822 -8.059 2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 135 2.196 -9.922 0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 135 2.992 -9.409 2.157 1.00 0.00 H new ATOM 781 N LEU A 136 6.203 -8.062 -1.939 1.00 0.00 N ATOM 782 CA LEU A 136 6.806 -8.690 -3.110 1.00 0.00 C ATOM 783 C LEU A 136 7.971 -7.850 -3.615 1.00 0.00 C ATOM 784 O LEU A 136 8.961 -8.375 -4.122 1.00 0.00 O ATOM 785 CB LEU A 136 5.766 -8.853 -4.220 1.00 0.00 C ATOM 786 CG LEU A 136 4.385 -9.301 -3.747 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.403 -9.325 -4.908 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.470 -10.670 -3.091 1.00 0.00 C ATOM 0 H LEU A 136 5.366 -7.513 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 136 7.175 -9.675 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.664 -7.903 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.139 -9.578 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 136 4.023 -8.585 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.425 -9.647 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.322 -8.326 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.757 -10.019 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.478 -10.976 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.852 -11.395 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.141 -10.621 -2.233 1.00 0.00 H new ATOM 800 N CYS A 137 7.837 -6.539 -3.467 1.00 0.00 N ATOM 801 CA CYS A 137 8.872 -5.609 -3.890 1.00 0.00 C ATOM 802 C CYS A 137 9.861 -5.371 -2.756 1.00 0.00 C ATOM 803 O CYS A 137 11.061 -5.219 -2.983 1.00 0.00 O ATOM 804 CB CYS A 137 8.248 -4.283 -4.324 1.00 0.00 C ATOM 805 SG CYS A 137 7.549 -4.302 -6.003 1.00 0.00 S ATOM 0 H CYS A 137 7.017 -6.095 -3.055 1.00 0.00 H new ATOM 0 HA CYS A 137 9.403 -6.043 -4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.461 -4.016 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.006 -3.502 -4.267 1.00 0.00 H new ATOM 0 HG CYS A 137 6.484 -3.558 -6.038 1.00 0.00 H new ATOM 810 N ARG A 138 9.340 -5.342 -1.534 1.00 0.00 N ATOM 811 CA ARG A 138 10.165 -5.128 -0.355 1.00 0.00 C ATOM 812 C ARG A 138 11.182 -6.254 -0.197 1.00 0.00 C ATOM 813 O ARG A 138 12.307 -6.031 0.251 1.00 0.00 O ATOM 814 CB ARG A 138 9.285 -5.039 0.893 1.00 0.00 C ATOM 815 CG ARG A 138 10.073 -4.929 2.187 1.00 0.00 C ATOM 816 CD ARG A 138 9.153 -4.869 3.395 1.00 0.00 C ATOM 817 NE ARG A 138 9.899 -4.788 4.647 1.00 0.00 N ATOM 818 CZ ARG A 138 9.352 -4.444 5.808 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.062 -4.144 5.873 1.00 0.00 N ATOM 820 NH2 ARG A 138 10.095 -4.396 6.905 1.00 0.00 N ATOM 0 H ARG A 138 8.347 -5.465 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 138 10.705 -4.189 -0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.628 -4.174 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.646 -5.921 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.743 -5.784 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.698 -4.036 2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.496 -4.004 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.515 -5.753 3.409 1.00 0.00 H new ATOM 0 HE ARG A 138 10.895 -5.008 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.488 -4.177 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.644 -3.880 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.088 -4.623 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.673 -4.132 7.795 1.00 0.00 H new ATOM 834 N LYS A 139 10.776 -7.463 -0.571 1.00 0.00 N ATOM 835 CA LYS A 139 11.649 -8.627 -0.473 1.00 0.00 C ATOM 836 C LYS A 139 12.507 -8.772 -1.726 1.00 0.00 C ATOM 837 O LYS A 139 13.720 -8.955 -1.641 1.00 0.00 O ATOM 838 CB LYS A 139 10.820 -9.895 -0.260 1.00 0.00 C ATOM 839 CG LYS A 139 11.647 -11.169 -0.276 1.00 0.00 C ATOM 840 CD LYS A 139 10.780 -12.400 -0.067 1.00 0.00 C ATOM 841 CE LYS A 139 11.598 -13.678 -0.147 1.00 0.00 C ATOM 842 NZ LYS A 139 12.710 -13.690 0.841 1.00 0.00 N ATOM 0 H LYS A 139 9.848 -7.662 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 139 12.309 -8.483 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.298 -9.822 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.058 -9.956 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 139 12.173 -11.251 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.406 -11.121 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.290 -12.341 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.992 -12.423 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.949 -14.536 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 139 12.005 -13.786 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.114 -14.647 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 13.447 -13.020 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.347 -13.412 1.775 1.00 0.00 H new ATOM 856 N GLN A 140 11.866 -8.690 -2.887 1.00 0.00 N ATOM 857 CA GLN A 140 12.572 -8.811 -4.157 1.00 0.00 C ATOM 858 C GLN A 140 13.728 -7.820 -4.236 1.00 0.00 C ATOM 859 O GLN A 140 14.688 -8.031 -4.978 1.00 0.00 O ATOM 860 CB GLN A 140 11.610 -8.579 -5.325 1.00 0.00 C ATOM 861 CG GLN A 140 12.276 -8.679 -6.688 1.00 0.00 C ATOM 862 CD GLN A 140 11.324 -8.362 -7.824 1.00 0.00 C ATOM 863 OE1 GLN A 140 10.118 -8.589 -7.721 1.00 0.00 O ATOM 864 NE2 GLN A 140 11.862 -7.835 -8.917 1.00 0.00 N ATOM 0 H GLN A 140 10.861 -8.541 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 140 12.977 -9.821 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.802 -9.308 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.157 -7.593 -5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 140 13.123 -7.994 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.674 -9.685 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 140 12.867 -7.664 -8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 140 11.271 -7.601 -9.715 1.00 0.00 H new ATOM 873 N GLN A 141 13.631 -6.739 -3.468 1.00 0.00 N ATOM 874 CA GLN A 141 14.672 -5.717 -3.457 1.00 0.00 C ATOM 875 C GLN A 141 15.506 -5.772 -2.175 1.00 0.00 C ATOM 876 O GLN A 141 16.429 -4.977 -1.997 1.00 0.00 O ATOM 877 CB GLN A 141 14.047 -4.329 -3.617 1.00 0.00 C ATOM 878 CG GLN A 141 15.063 -3.197 -3.611 1.00 0.00 C ATOM 879 CD GLN A 141 14.448 -1.861 -3.981 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.982 -1.120 -3.118 1.00 0.00 O ATOM 881 NE2 GLN A 141 14.446 -1.548 -5.272 1.00 0.00 N ATOM 0 H GLN A 141 12.845 -6.548 -2.847 1.00 0.00 H new ATOM 0 HA GLN A 141 15.339 -5.914 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 141 13.487 -4.298 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.331 -4.167 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.514 -3.124 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.865 -3.430 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 141 14.844 -2.194 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 141 14.047 -0.662 -5.581 1.00 0.00 H new ATOM 890 N GLU A 142 15.189 -6.711 -1.287 1.00 0.00 N ATOM 891 CA GLU A 142 15.922 -6.847 -0.034 1.00 0.00 C ATOM 892 C GLU A 142 16.229 -8.310 0.263 1.00 0.00 C ATOM 893 O GLU A 142 15.394 -8.970 0.916 1.00 0.00 O ATOM 894 CB GLU A 142 15.123 -6.238 1.120 1.00 0.00 C ATOM 895 CG GLU A 142 15.866 -6.253 2.446 1.00 0.00 C ATOM 896 CD GLU A 142 15.069 -5.615 3.566 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.171 -4.383 3.743 1.00 0.00 O ATOM 898 OE2 GLU A 142 14.341 -6.348 4.269 1.00 0.00 O ATOM 899 OXT GLU A 142 17.305 -8.786 -0.160 1.00 0.00 O ATOM 0 H GLU A 142 14.434 -7.385 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 142 16.865 -6.310 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 142 14.864 -5.209 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.186 -6.784 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 142 16.103 -7.283 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 142 16.814 -5.727 2.334 1.00 0.00 H new