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 131:sc= 2.41 USER MOD Set 1.2: A 111 CYS SG : rot -18:sc= 2.11 USER MOD Set 1.3: A 113 THR OG1 : rot 116:sc= 1.24 USER MOD Set 1.4: A 134 CYS SG : rot 180:sc= 0.945 USER MOD Set 1.5: A 137 CYS SG : rot 87:sc= 0.157 USER MOD Set 2.1: A 92 CYS SG : rot 142:sc= 1.88 USER MOD Set 2.2: A 95 CYS SG : rot -19:sc= 0.977 USER MOD Set 2.3: A 116 CYS SG : rot -131:sc= -2.73! USER MOD Set 2.4: A 119 CYS SG : rot 129:sc= -1.25 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0.046) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= -0.0427 (180deg=-0.218) USER MOD Single : A 106 HIS : no HE2:sc= -0.879 K(o=-0.88,f=-3.5!) USER MOD Single : A 107 ASN :FLIP amide:sc= -3.71! C(o=-5.2!,f=-3.7!) USER MOD Single : A 109 SER OG : rot 180:sc= -2.12! USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.551 F(o=-1.6,f=-0.55) 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= -3.88! C(o=-3.9!,f=-13!) USER MOD Single : A 139 LYS NZ :NH3+ 163:sc= -0.0519 (180deg=-0.341) USER MOD Single : A 140 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.072) USER MOD Single : A 141 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.060 1.107 0.482 1.00 0.00 N ATOM 102 CA PRO A 90 -10.651 0.799 0.266 1.00 0.00 C ATOM 103 C PRO A 90 -10.334 -0.633 0.667 1.00 0.00 C ATOM 104 O PRO A 90 -10.680 -1.060 1.766 1.00 0.00 O ATOM 105 CB PRO A 90 -9.916 1.787 1.187 1.00 0.00 C ATOM 106 CG PRO A 90 -10.981 2.601 1.860 1.00 0.00 C ATOM 107 CD PRO A 90 -12.249 1.806 1.753 1.00 0.00 C ATOM 0 HA PRO A 90 -10.361 0.890 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.309 1.257 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.241 2.424 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.726 2.788 2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.090 3.573 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.368 1.113 2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.132 2.445 1.740 1.00 0.00 H new ATOM 115 N THR A 91 -9.670 -1.372 -0.215 1.00 0.00 N ATOM 116 CA THR A 91 -9.347 -2.764 0.071 1.00 0.00 C ATOM 117 C THR A 91 -7.932 -3.136 -0.344 1.00 0.00 C ATOM 118 O THR A 91 -7.392 -2.620 -1.322 1.00 0.00 O ATOM 119 CB THR A 91 -10.332 -3.723 -0.618 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.629 -3.260 -1.941 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.614 -3.844 0.187 1.00 0.00 C ATOM 0 H THR A 91 -9.349 -1.036 -1.123 1.00 0.00 H new ATOM 0 HA THR A 91 -9.428 -2.867 1.153 1.00 0.00 H new ATOM 0 HB THR A 91 -9.866 -4.706 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.256 -3.879 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.297 -4.527 -0.318 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.385 -4.229 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.081 -2.863 0.276 1.00 0.00 H new ATOM 129 N CYS A 92 -7.346 -4.045 0.424 1.00 0.00 N ATOM 130 CA CYS A 92 -6.001 -4.537 0.171 1.00 0.00 C ATOM 131 C CYS A 92 -5.960 -5.387 -1.098 1.00 0.00 C ATOM 132 O CYS A 92 -6.847 -6.209 -1.333 1.00 0.00 O ATOM 133 CB CYS A 92 -5.546 -5.361 1.371 1.00 0.00 C ATOM 134 SG CYS A 92 -3.913 -6.107 1.207 1.00 0.00 S ATOM 0 H CYS A 92 -7.792 -4.462 1.241 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.331 -3.690 0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.550 -4.722 2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.275 -6.152 1.547 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.297 -6.058 2.351 1.00 0.00 H new ATOM 139 N GLY A 93 -4.912 -5.201 -1.901 1.00 0.00 N ATOM 140 CA GLY A 93 -4.775 -5.951 -3.143 1.00 0.00 C ATOM 141 C GLY A 93 -4.092 -7.296 -2.958 1.00 0.00 C ATOM 142 O GLY A 93 -3.588 -7.881 -3.916 1.00 0.00 O ATOM 0 H GLY A 93 -4.155 -4.544 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.763 -6.109 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.206 -5.357 -3.858 1.00 0.00 H new ATOM 146 N ILE A 94 -4.077 -7.786 -1.724 1.00 0.00 N ATOM 147 CA ILE A 94 -3.459 -9.063 -1.406 1.00 0.00 C ATOM 148 C ILE A 94 -4.446 -9.966 -0.675 1.00 0.00 C ATOM 149 O ILE A 94 -4.893 -10.980 -1.212 1.00 0.00 O ATOM 150 CB ILE A 94 -2.197 -8.874 -0.538 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.164 -8.037 -1.284 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.598 -10.217 -0.150 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.390 -6.547 -1.170 1.00 0.00 C ATOM 0 H ILE A 94 -4.491 -7.311 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.168 -9.530 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.487 -8.352 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.172 -8.275 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.175 -8.317 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.710 -10.056 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.330 -10.792 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.324 -10.767 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.616 -6.018 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.368 -6.295 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.349 -6.252 -0.121 1.00 0.00 H new ATOM 165 N CYS A 95 -4.780 -9.592 0.556 1.00 0.00 N ATOM 166 CA CYS A 95 -5.722 -10.367 1.354 1.00 0.00 C ATOM 167 C CYS A 95 -7.163 -9.892 1.140 1.00 0.00 C ATOM 168 O CYS A 95 -8.109 -10.552 1.570 1.00 0.00 O ATOM 169 CB CYS A 95 -5.351 -10.311 2.843 1.00 0.00 C ATOM 170 SG CYS A 95 -4.937 -8.649 3.466 1.00 0.00 S ATOM 0 H CYS A 95 -4.414 -8.761 1.021 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.660 -11.403 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.184 -10.705 3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.501 -10.971 3.016 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.631 -7.875 2.467 1.00 0.00 H new ATOM 175 N HIS A 96 -7.325 -8.744 0.473 1.00 0.00 N ATOM 176 CA HIS A 96 -8.649 -8.198 0.194 1.00 0.00 C ATOM 177 C HIS A 96 -9.525 -8.189 1.444 1.00 0.00 C ATOM 178 O HIS A 96 -10.750 -8.270 1.354 1.00 0.00 O ATOM 179 CB HIS A 96 -9.331 -9.008 -0.913 1.00 0.00 C ATOM 180 CG HIS A 96 -8.557 -9.042 -2.195 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.878 -8.267 -3.289 1.00 0.00 N ATOM 182 CD2 HIS A 96 -7.471 -9.767 -2.557 1.00 0.00 C ATOM 183 CE1 HIS A 96 -8.026 -8.516 -4.268 1.00 0.00 C ATOM 184 NE2 HIS A 96 -7.163 -9.421 -3.849 1.00 0.00 N ATOM 0 H HIS A 96 -6.554 -8.179 0.118 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.521 -7.167 -0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.483 -10.029 -0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.318 -8.586 -1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -6.946 -10.484 -1.943 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.035 -8.056 -5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -6.391 -9.802 -4.397 1.00 0.00 H new ATOM 193 N LYS A 97 -8.895 -8.079 2.609 1.00 0.00 N ATOM 194 CA LYS A 97 -9.627 -8.058 3.870 1.00 0.00 C ATOM 195 C LYS A 97 -9.500 -6.700 4.555 1.00 0.00 C ATOM 196 O LYS A 97 -10.494 -6.005 4.764 1.00 0.00 O ATOM 197 CB LYS A 97 -9.117 -9.159 4.802 1.00 0.00 C ATOM 198 CG LYS A 97 -9.810 -9.178 6.154 1.00 0.00 C ATOM 199 CD LYS A 97 -11.311 -9.366 6.008 1.00 0.00 C ATOM 200 CE LYS A 97 -12.016 -9.302 7.353 1.00 0.00 C ATOM 201 NZ LYS A 97 -13.488 -9.479 7.218 1.00 0.00 N ATOM 0 H LYS A 97 -7.882 -8.003 2.706 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.679 -8.236 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.255 -10.126 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.046 -9.028 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.399 -9.983 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.609 -8.245 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.712 -8.596 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.514 -10.327 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.616 -10.075 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.808 -8.343 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.931 -9.429 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.874 -8.727 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.688 -10.405 6.790 1.00 0.00 H new ATOM 215 N THR A 98 -8.272 -6.330 4.902 1.00 0.00 N ATOM 216 CA THR A 98 -8.015 -5.057 5.562 1.00 0.00 C ATOM 217 C THR A 98 -8.398 -3.887 4.660 1.00 0.00 C ATOM 218 O THR A 98 -7.795 -3.678 3.608 1.00 0.00 O ATOM 219 CB THR A 98 -6.528 -4.939 5.964 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.206 -5.938 6.938 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.209 -3.561 6.528 1.00 0.00 C ATOM 0 H THR A 98 -7.439 -6.895 4.737 1.00 0.00 H new ATOM 0 HA THR A 98 -8.629 -5.022 6.462 1.00 0.00 H new ATOM 0 HB THR A 98 -5.928 -5.088 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.262 -5.859 7.188 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.155 -3.514 6.800 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.424 -2.802 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.820 -3.379 7.412 1.00 0.00 H new ATOM 229 N LYS A 99 -9.408 -3.128 5.079 1.00 0.00 N ATOM 230 CA LYS A 99 -9.867 -1.981 4.314 1.00 0.00 C ATOM 231 C LYS A 99 -9.192 -0.709 4.806 1.00 0.00 C ATOM 232 O LYS A 99 -9.254 -0.376 5.988 1.00 0.00 O ATOM 233 CB LYS A 99 -11.385 -1.843 4.424 1.00 0.00 C ATOM 234 CG LYS A 99 -12.142 -3.036 3.869 1.00 0.00 C ATOM 235 CD LYS A 99 -13.629 -2.944 4.170 1.00 0.00 C ATOM 236 CE LYS A 99 -13.894 -2.861 5.664 1.00 0.00 C ATOM 237 NZ LYS A 99 -13.267 -3.991 6.404 1.00 0.00 N ATOM 0 H LYS A 99 -9.922 -3.290 5.945 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.602 -2.136 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.655 -1.706 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.700 -0.944 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.991 -3.094 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.740 -3.954 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.047 -2.066 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.139 -3.815 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.508 -1.917 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.969 -2.863 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.621 -4.005 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.507 -4.888 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.234 -3.870 6.411 1.00 0.00 H new ATOM 251 N PHE A 100 -8.548 -0.003 3.888 1.00 0.00 N ATOM 252 CA PHE A 100 -7.850 1.229 4.230 1.00 0.00 C ATOM 253 C PHE A 100 -8.812 2.253 4.821 1.00 0.00 C ATOM 254 O PHE A 100 -10.024 2.040 4.848 1.00 0.00 O ATOM 255 CB PHE A 100 -7.164 1.822 2.999 1.00 0.00 C ATOM 256 CG PHE A 100 -6.522 0.799 2.105 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.698 -0.185 2.629 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.741 0.828 0.738 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.102 -1.120 1.801 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.151 -0.104 -0.092 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.330 -1.078 0.439 1.00 0.00 C ATOM 0 H PHE A 100 -8.494 -0.261 2.903 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.094 0.984 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.898 2.384 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.404 2.532 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.520 -0.222 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.381 1.589 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.460 -1.881 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.332 -0.071 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.866 -1.807 -0.209 1.00 0.00 H new ATOM 311 N GLY A 105 -5.130 3.415 1.656 1.00 0.00 N ATOM 312 CA GLY A 105 -4.140 2.881 2.577 1.00 0.00 C ATOM 313 C GLY A 105 -2.720 3.021 2.069 1.00 0.00 C ATOM 314 O GLY A 105 -2.289 4.112 1.699 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.229 3.394 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.352 1.827 2.759 1.00 0.00 H new ATOM 318 N HIS A 106 -1.994 1.909 2.050 1.00 0.00 N ATOM 319 CA HIS A 106 -0.613 1.906 1.590 1.00 0.00 C ATOM 320 C HIS A 106 -0.519 1.401 0.159 1.00 0.00 C ATOM 321 O HIS A 106 -0.847 0.250 -0.131 1.00 0.00 O ATOM 322 CB HIS A 106 0.253 1.038 2.502 1.00 0.00 C ATOM 323 CG HIS A 106 0.167 1.416 3.948 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.863 2.477 4.490 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.538 0.871 4.968 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.590 2.567 5.780 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.256 1.604 6.095 1.00 0.00 N ATOM 0 H HIS A 106 -2.341 0.997 2.349 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.247 2.932 1.622 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.046 -0.004 2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.291 1.108 2.178 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.490 3.095 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.199 0.019 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.991 3.303 6.461 1.00 0.00 H new ATOM 336 N ASN A 107 -0.068 2.273 -0.731 1.00 0.00 N ATOM 337 CA ASN A 107 0.071 1.929 -2.140 1.00 0.00 C ATOM 338 C ASN A 107 1.532 1.693 -2.500 1.00 0.00 C ATOM 339 O ASN A 107 2.408 2.491 -2.165 1.00 0.00 O ATOM 340 CB ASN A 107 -0.526 3.030 -3.020 1.00 0.00 C ATOM 341 CG ASN A 107 -2.022 2.863 -3.230 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.713 2.312 -2.234 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.554 3.231 -4.278 1.00 0.00 N flip ATOM 0 H ASN A 107 0.209 3.228 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.477 1.004 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.333 4.000 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.025 3.029 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.989 3.649 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.560 3.118 -4.407 1.00 0.00 H new ATOM 350 N CYS A 108 1.781 0.585 -3.187 1.00 0.00 N ATOM 351 CA CYS A 108 3.129 0.213 -3.596 1.00 0.00 C ATOM 352 C CYS A 108 3.796 1.325 -4.396 1.00 0.00 C ATOM 353 O CYS A 108 3.256 1.797 -5.393 1.00 0.00 O ATOM 354 CB CYS A 108 3.077 -1.056 -4.440 1.00 0.00 C ATOM 355 SG CYS A 108 4.691 -1.782 -4.791 1.00 0.00 S ATOM 0 H CYS A 108 1.060 -0.077 -3.474 1.00 0.00 H new ATOM 0 HA CYS A 108 3.718 0.040 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.463 -1.795 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.580 -0.830 -5.384 1.00 0.00 H new ATOM 0 HG CYS A 108 4.665 -3.052 -4.513 1.00 0.00 H new ATOM 360 N SER A 109 4.976 1.735 -3.953 1.00 0.00 N ATOM 361 CA SER A 109 5.726 2.787 -4.630 1.00 0.00 C ATOM 362 C SER A 109 6.125 2.372 -6.048 1.00 0.00 C ATOM 363 O SER A 109 6.548 3.207 -6.847 1.00 0.00 O ATOM 364 CB SER A 109 6.974 3.147 -3.825 1.00 0.00 C ATOM 365 OG SER A 109 7.830 2.026 -3.680 1.00 0.00 O ATOM 0 H SER A 109 5.437 1.355 -3.126 1.00 0.00 H new ATOM 0 HA SER A 109 5.077 3.659 -4.704 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.510 3.956 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.682 3.515 -2.841 1.00 0.00 H new ATOM 0 HG SER A 109 8.622 2.284 -3.163 1.00 0.00 H new ATOM 371 N TYR A 110 5.991 1.082 -6.360 1.00 0.00 N ATOM 372 CA TYR A 110 6.359 0.576 -7.677 1.00 0.00 C ATOM 373 C TYR A 110 5.138 0.296 -8.554 1.00 0.00 C ATOM 374 O TYR A 110 4.766 1.120 -9.388 1.00 0.00 O ATOM 375 CB TYR A 110 7.201 -0.692 -7.537 1.00 0.00 C ATOM 376 CG TYR A 110 8.528 -0.464 -6.846 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.599 0.094 -7.531 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.708 -0.808 -5.512 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.814 0.304 -6.907 1.00 0.00 C ATOM 380 CE2 TYR A 110 9.921 -0.601 -4.879 1.00 0.00 C ATOM 381 CZ TYR A 110 10.970 -0.047 -5.582 1.00 0.00 C ATOM 382 OH TYR A 110 12.178 0.161 -4.956 1.00 0.00 O ATOM 0 H TYR A 110 5.632 0.374 -5.720 1.00 0.00 H new ATOM 0 HA TYR A 110 6.943 1.354 -8.169 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.633 -1.436 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.383 -1.108 -8.528 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.481 0.369 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.888 -1.244 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.637 0.740 -7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.045 -0.872 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 110 12.120 -0.140 -4.025 1.00 0.00 H new ATOM 392 N CYS A 111 4.515 -0.867 -8.363 1.00 0.00 N ATOM 393 CA CYS A 111 3.351 -1.243 -9.165 1.00 0.00 C ATOM 394 C CYS A 111 2.086 -0.482 -8.752 1.00 0.00 C ATOM 395 O CYS A 111 1.022 -0.682 -9.335 1.00 0.00 O ATOM 396 CB CYS A 111 3.110 -2.756 -9.101 1.00 0.00 C ATOM 397 SG CYS A 111 3.116 -3.464 -7.423 1.00 0.00 S ATOM 0 H CYS A 111 4.793 -1.559 -7.667 1.00 0.00 H new ATOM 0 HA CYS A 111 3.575 -0.964 -10.195 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.151 -2.976 -9.569 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.876 -3.256 -9.693 1.00 0.00 H new ATOM 0 HG CYS A 111 3.702 -2.639 -6.606 1.00 0.00 H new ATOM 402 N GLN A 112 2.202 0.388 -7.750 1.00 0.00 N ATOM 403 CA GLN A 112 1.064 1.183 -7.295 1.00 0.00 C ATOM 404 C GLN A 112 -0.046 0.318 -6.704 1.00 0.00 C ATOM 405 O GLN A 112 -1.170 0.785 -6.519 1.00 0.00 O ATOM 406 CB GLN A 112 0.512 2.015 -8.452 1.00 0.00 C ATOM 407 CG GLN A 112 1.523 2.991 -9.029 1.00 0.00 C ATOM 408 CD GLN A 112 2.092 3.927 -7.979 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.179 3.508 -7.341 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 1.559 5.010 -7.742 1.00 0.00 N flip ATOM 0 H GLN A 112 3.069 0.559 -7.240 1.00 0.00 H new ATOM 0 HA GLN A 112 1.423 1.841 -6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.173 1.345 -9.242 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.361 2.569 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.337 2.434 -9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.049 3.578 -9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.725 5.291 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.951 5.627 -7.031 1.00 0.00 H new ATOM 419 N THR A 113 0.263 -0.940 -6.409 1.00 0.00 N ATOM 420 CA THR A 113 -0.723 -1.841 -5.831 1.00 0.00 C ATOM 421 C THR A 113 -1.154 -1.355 -4.452 1.00 0.00 C ATOM 422 O THR A 113 -0.317 -1.031 -3.610 1.00 0.00 O ATOM 423 CB THR A 113 -0.177 -3.276 -5.708 1.00 0.00 C ATOM 424 OG1 THR A 113 0.294 -3.732 -6.982 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.252 -4.222 -5.192 1.00 0.00 C ATOM 0 H THR A 113 1.182 -1.355 -6.560 1.00 0.00 H new ATOM 0 HA THR A 113 -1.581 -1.848 -6.503 1.00 0.00 H new ATOM 0 HB THR A 113 0.649 -3.267 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.261 -3.886 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 113 -0.843 -5.229 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.589 -3.889 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.095 -4.226 -5.882 1.00 0.00 H new ATOM 433 N LYS A 114 -2.463 -1.304 -4.226 1.00 0.00 N ATOM 434 CA LYS A 114 -3.000 -0.856 -2.946 1.00 0.00 C ATOM 435 C LYS A 114 -3.004 -2.004 -1.945 1.00 0.00 C ATOM 436 O LYS A 114 -3.784 -2.947 -2.069 1.00 0.00 O ATOM 437 CB LYS A 114 -4.416 -0.308 -3.125 1.00 0.00 C ATOM 438 CG LYS A 114 -4.544 0.664 -4.287 1.00 0.00 C ATOM 439 CD LYS A 114 -5.938 1.263 -4.370 1.00 0.00 C ATOM 440 CE LYS A 114 -6.991 0.199 -4.640 1.00 0.00 C ATOM 441 NZ LYS A 114 -8.342 0.793 -4.838 1.00 0.00 N ATOM 0 H LYS A 114 -3.171 -1.567 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.363 -0.058 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.103 -1.140 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.723 0.192 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.811 1.463 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.314 0.148 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.170 1.776 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.966 2.012 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.712 -0.372 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.021 -0.502 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.031 0.035 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.620 1.316 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.320 1.443 -5.650 1.00 0.00 H new ATOM 455 N PHE A 115 -2.129 -1.914 -0.951 1.00 0.00 N ATOM 456 CA PHE A 115 -2.018 -2.955 0.061 1.00 0.00 C ATOM 457 C PHE A 115 -2.122 -2.386 1.472 1.00 0.00 C ATOM 458 O PHE A 115 -1.988 -1.182 1.686 1.00 0.00 O ATOM 459 CB PHE A 115 -0.703 -3.714 -0.104 1.00 0.00 C ATOM 460 CG PHE A 115 0.519 -2.845 -0.066 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.908 -2.213 1.103 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.288 -2.673 -1.205 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.044 -1.425 1.135 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.422 -1.886 -1.179 1.00 0.00 C ATOM 465 CZ PHE A 115 2.802 -1.262 -0.010 1.00 0.00 C ATOM 0 H PHE A 115 -1.487 -1.132 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.852 -3.643 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.627 -4.462 0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.723 -4.251 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.318 -2.337 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.997 -3.160 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.339 -0.938 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.012 -1.759 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.690 -0.647 0.012 1.00 0.00 H new ATOM 475 N CYS A 116 -2.364 -3.275 2.428 1.00 0.00 N ATOM 476 CA CYS A 116 -2.502 -2.892 3.826 1.00 0.00 C ATOM 477 C CYS A 116 -1.137 -2.843 4.510 1.00 0.00 C ATOM 478 O CYS A 116 -0.129 -3.256 3.936 1.00 0.00 O ATOM 479 CB CYS A 116 -3.430 -3.872 4.546 1.00 0.00 C ATOM 480 SG CYS A 116 -2.834 -5.592 4.551 1.00 0.00 S ATOM 0 H CYS A 116 -2.469 -4.275 2.257 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.939 -1.894 3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.561 -3.541 5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.412 -3.840 4.073 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.793 -6.385 4.174 1.00 0.00 H new ATOM 485 N ALA A 117 -1.114 -2.343 5.739 1.00 0.00 N ATOM 486 CA ALA A 117 0.128 -2.216 6.496 1.00 0.00 C ATOM 487 C ALA A 117 0.842 -3.554 6.690 1.00 0.00 C ATOM 488 O ALA A 117 2.054 -3.587 6.902 1.00 0.00 O ATOM 489 CB ALA A 117 -0.150 -1.572 7.846 1.00 0.00 C ATOM 0 H ALA A 117 -1.943 -2.017 6.235 1.00 0.00 H new ATOM 0 HA ALA A 117 0.795 -1.582 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.782 -1.481 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.581 -0.582 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.850 -2.191 8.407 1.00 0.00 H new ATOM 495 N ARG A 118 0.101 -4.656 6.616 1.00 0.00 N ATOM 496 CA ARG A 118 0.700 -5.976 6.807 1.00 0.00 C ATOM 497 C ARG A 118 1.075 -6.641 5.483 1.00 0.00 C ATOM 498 O ARG A 118 1.783 -7.647 5.471 1.00 0.00 O ATOM 499 CB ARG A 118 -0.241 -6.884 7.603 1.00 0.00 C ATOM 500 CG ARG A 118 -1.594 -7.091 6.947 1.00 0.00 C ATOM 501 CD ARG A 118 -2.396 -8.176 7.649 1.00 0.00 C ATOM 502 NE ARG A 118 -2.767 -7.790 9.007 1.00 0.00 N ATOM 503 CZ ARG A 118 -3.401 -8.593 9.855 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.711 -9.831 9.494 1.00 0.00 N ATOM 505 NH2 ARG A 118 -3.721 -8.160 11.067 1.00 0.00 N ATOM 0 H ARG A 118 -0.901 -4.664 6.428 1.00 0.00 H new ATOM 0 HA ARG A 118 1.621 -5.828 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 118 0.237 -7.854 7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.390 -6.457 8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -2.154 -6.156 6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.454 -7.361 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -3.297 -8.390 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.812 -9.096 7.680 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.526 -6.851 9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.463 -10.168 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.198 -10.446 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.480 -7.210 11.349 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.208 -8.777 11.717 1.00 0.00 H new ATOM 519 N CYS A 119 0.606 -6.085 4.369 1.00 0.00 N ATOM 520 CA CYS A 119 0.919 -6.648 3.058 1.00 0.00 C ATOM 521 C CYS A 119 1.897 -5.760 2.292 1.00 0.00 C ATOM 522 O CYS A 119 1.848 -5.677 1.065 1.00 0.00 O ATOM 523 CB CYS A 119 -0.355 -6.850 2.241 1.00 0.00 C ATOM 524 SG CYS A 119 -1.292 -8.347 2.687 1.00 0.00 S ATOM 0 H CYS A 119 0.014 -5.254 4.346 1.00 0.00 H new ATOM 0 HA CYS A 119 1.393 -7.616 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.998 -5.980 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.093 -6.900 1.184 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.534 -8.032 2.905 1.00 0.00 H new ATOM 529 N GLY A 120 2.789 -5.106 3.026 1.00 0.00 N ATOM 530 CA GLY A 120 3.772 -4.238 2.403 1.00 0.00 C ATOM 531 C GLY A 120 4.891 -3.857 3.352 1.00 0.00 C ATOM 532 O GLY A 120 5.185 -4.589 4.298 1.00 0.00 O ATOM 0 H GLY A 120 2.850 -5.161 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.193 -4.738 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.279 -3.334 2.045 1.00 0.00 H new ATOM 536 N GLY A 121 5.519 -2.711 3.104 1.00 0.00 N ATOM 537 CA GLY A 121 6.604 -2.263 3.958 1.00 0.00 C ATOM 538 C GLY A 121 6.719 -0.752 4.019 1.00 0.00 C ATOM 539 O GLY A 121 6.358 -0.055 3.071 1.00 0.00 O ATOM 0 H GLY A 121 5.296 -2.086 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.452 -2.652 4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.543 -2.680 3.593 1.00 0.00 H new ATOM 543 N ARG A 122 7.225 -0.247 5.140 1.00 0.00 N ATOM 544 CA ARG A 122 7.391 1.191 5.331 1.00 0.00 C ATOM 545 C ARG A 122 8.759 1.652 4.835 1.00 0.00 C ATOM 546 O ARG A 122 9.784 1.067 5.184 1.00 0.00 O ATOM 547 CB ARG A 122 7.226 1.548 6.809 1.00 0.00 C ATOM 548 CG ARG A 122 8.345 1.016 7.691 1.00 0.00 C ATOM 549 CD ARG A 122 8.039 1.215 9.167 1.00 0.00 C ATOM 550 NE ARG A 122 6.920 0.387 9.611 1.00 0.00 N ATOM 551 CZ ARG A 122 6.465 0.370 10.860 1.00 0.00 C ATOM 552 NH1 ARG A 122 7.019 1.146 11.782 1.00 0.00 N ATOM 553 NH2 ARG A 122 5.453 -0.420 11.189 1.00 0.00 N ATOM 0 H ARG A 122 7.528 -0.814 5.932 1.00 0.00 H new ATOM 0 HA ARG A 122 6.623 1.702 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.179 2.632 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.274 1.154 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.494 -0.045 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.278 1.522 7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.924 0.975 9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.809 2.264 9.351 1.00 0.00 H new ATOM 0 HE ARG A 122 6.462 -0.212 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.796 1.758 11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.668 1.131 12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.021 -1.017 10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.106 -0.431 12.148 1.00 0.00 H new ATOM 700 N MET A 131 6.739 6.517 1.384 1.00 0.00 N ATOM 701 CA MET A 131 6.351 5.565 0.352 1.00 0.00 C ATOM 702 C MET A 131 6.331 4.148 0.910 1.00 0.00 C ATOM 703 O MET A 131 7.080 3.822 1.830 1.00 0.00 O ATOM 704 CB MET A 131 7.302 5.647 -0.843 1.00 0.00 C ATOM 705 CG MET A 131 8.753 5.368 -0.492 1.00 0.00 C ATOM 706 SD MET A 131 9.856 5.583 -1.903 1.00 0.00 S ATOM 707 CE MET A 131 11.417 5.066 -1.197 1.00 0.00 C ATOM 0 HA MET A 131 5.347 5.821 0.015 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.978 4.935 -1.602 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.230 6.640 -1.286 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.064 6.034 0.313 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.843 4.349 -0.116 1.00 0.00 H new ATOM 0 HE1 MET A 131 12.201 5.143 -1.951 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.663 5.707 -0.350 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.339 4.033 -0.859 1.00 0.00 H new ATOM 717 N TRP A 132 5.467 3.313 0.348 1.00 0.00 N ATOM 718 CA TRP A 132 5.339 1.933 0.797 1.00 0.00 C ATOM 719 C TRP A 132 5.547 0.953 -0.354 1.00 0.00 C ATOM 720 O TRP A 132 5.178 1.231 -1.494 1.00 0.00 O ATOM 721 CB TRP A 132 3.965 1.716 1.432 1.00 0.00 C ATOM 722 CG TRP A 132 3.905 2.129 2.870 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.903 3.401 3.365 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.837 1.256 3.999 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.840 3.370 4.738 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.797 2.063 5.150 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.804 -0.133 4.145 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.727 1.525 6.433 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.735 -0.666 5.417 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.697 0.161 6.547 1.00 0.00 C ATOM 0 H TRP A 132 4.845 3.567 -0.419 1.00 0.00 H new ATOM 0 HA TRP A 132 6.114 1.746 1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.219 2.277 0.869 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.698 0.662 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.945 4.299 2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.827 4.186 5.350 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.832 -0.778 3.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.697 2.161 7.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.710 -1.738 5.543 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.643 -0.287 7.528 1.00 0.00 H new ATOM 741 N VAL A 133 6.140 -0.196 -0.044 1.00 0.00 N ATOM 742 CA VAL A 133 6.403 -1.222 -1.048 1.00 0.00 C ATOM 743 C VAL A 133 5.801 -2.562 -0.628 1.00 0.00 C ATOM 744 O VAL A 133 6.063 -3.055 0.468 1.00 0.00 O ATOM 745 CB VAL A 133 7.919 -1.391 -1.283 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.192 -2.508 -2.281 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.530 -0.083 -1.763 1.00 0.00 C ATOM 0 H VAL A 133 6.448 -0.440 0.897 1.00 0.00 H new ATOM 0 HA VAL A 133 5.935 -0.897 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 133 8.384 -1.664 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.267 -2.608 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.790 -3.446 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.714 -2.271 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.599 -0.219 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.057 0.218 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.372 0.690 -1.011 1.00 0.00 H new ATOM 757 N CYS A 134 4.996 -3.148 -1.511 1.00 0.00 N ATOM 758 CA CYS A 134 4.353 -4.429 -1.228 1.00 0.00 C ATOM 759 C CYS A 134 5.382 -5.525 -0.981 1.00 0.00 C ATOM 760 O CYS A 134 6.511 -5.464 -1.469 1.00 0.00 O ATOM 761 CB CYS A 134 3.428 -4.840 -2.378 1.00 0.00 C ATOM 762 SG CYS A 134 4.285 -5.226 -3.939 1.00 0.00 S ATOM 0 H CYS A 134 4.774 -2.757 -2.427 1.00 0.00 H new ATOM 0 HA CYS A 134 3.760 -4.301 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 134 2.852 -5.712 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.715 -4.035 -2.559 1.00 0.00 H new ATOM 0 HG CYS A 134 3.412 -5.562 -4.842 1.00 0.00 H new ATOM 767 N ASN A 135 4.967 -6.533 -0.219 1.00 0.00 N ATOM 768 CA ASN A 135 5.828 -7.666 0.118 1.00 0.00 C ATOM 769 C ASN A 135 6.418 -8.335 -1.125 1.00 0.00 C ATOM 770 O ASN A 135 7.408 -9.061 -1.033 1.00 0.00 O ATOM 771 CB ASN A 135 5.043 -8.694 0.933 1.00 0.00 C ATOM 772 CG ASN A 135 4.574 -8.139 2.263 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.422 -6.928 2.422 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.333 -9.023 3.224 1.00 0.00 N ATOM 0 H ASN A 135 4.030 -6.589 0.181 1.00 0.00 H new ATOM 0 HA ASN A 135 6.658 -7.278 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.180 -9.028 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.668 -9.570 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 135 4.008 -8.707 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.473 -10.018 3.048 1.00 0.00 H new ATOM 781 N LEU A 136 5.817 -8.084 -2.285 1.00 0.00 N ATOM 782 CA LEU A 136 6.293 -8.676 -3.532 1.00 0.00 C ATOM 783 C LEU A 136 7.481 -7.896 -4.077 1.00 0.00 C ATOM 784 O LEU A 136 8.421 -8.474 -4.622 1.00 0.00 O ATOM 785 CB LEU A 136 5.168 -8.689 -4.568 1.00 0.00 C ATOM 786 CG LEU A 136 3.795 -9.080 -4.022 1.00 0.00 C ATOM 787 CD1 LEU A 136 2.715 -8.825 -5.061 1.00 0.00 C ATOM 788 CD2 LEU A 136 3.794 -10.539 -3.599 1.00 0.00 C ATOM 0 H LEU A 136 5.003 -7.478 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 136 6.609 -9.699 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.096 -7.698 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.436 -9.382 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 136 3.580 -8.465 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.744 -9.109 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.703 -7.767 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.922 -9.416 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.810 -10.805 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.028 -11.167 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.543 -10.693 -2.823 1.00 0.00 H new ATOM 800 N CYS A 137 7.431 -6.580 -3.926 1.00 0.00 N ATOM 801 CA CYS A 137 8.506 -5.717 -4.391 1.00 0.00 C ATOM 802 C CYS A 137 9.553 -5.542 -3.299 1.00 0.00 C ATOM 803 O CYS A 137 10.748 -5.450 -3.576 1.00 0.00 O ATOM 804 CB CYS A 137 7.953 -4.355 -4.816 1.00 0.00 C ATOM 805 SG CYS A 137 6.949 -4.399 -6.336 1.00 0.00 S ATOM 0 H CYS A 137 6.655 -6.086 -3.484 1.00 0.00 H new ATOM 0 HA CYS A 137 8.976 -6.186 -5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.347 -3.952 -4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.786 -3.667 -4.963 1.00 0.00 H new ATOM 0 HG CYS A 137 5.715 -4.673 -6.033 1.00 0.00 H new ATOM 810 N ARG A 138 9.094 -5.504 -2.052 1.00 0.00 N ATOM 811 CA ARG A 138 9.989 -5.348 -0.913 1.00 0.00 C ATOM 812 C ARG A 138 10.959 -6.523 -0.826 1.00 0.00 C ATOM 813 O ARG A 138 12.114 -6.358 -0.435 1.00 0.00 O ATOM 814 CB ARG A 138 9.188 -5.237 0.384 1.00 0.00 C ATOM 815 CG ARG A 138 10.052 -4.992 1.611 1.00 0.00 C ATOM 816 CD ARG A 138 9.219 -4.951 2.881 1.00 0.00 C ATOM 817 NE ARG A 138 8.577 -6.235 3.156 1.00 0.00 N ATOM 818 CZ ARG A 138 7.852 -6.476 4.242 1.00 0.00 C ATOM 819 NH1 ARG A 138 7.681 -5.528 5.152 1.00 0.00 N ATOM 820 NH2 ARG A 138 7.296 -7.668 4.422 1.00 0.00 N ATOM 0 H ARG A 138 8.107 -5.579 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 138 10.562 -4.431 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.468 -4.425 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.617 -6.154 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.802 -5.779 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.589 -4.050 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.854 -4.676 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.457 -4.177 2.790 1.00 0.00 H new ATOM 0 HE ARG A 138 8.692 -6.987 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.107 -4.611 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.124 -5.716 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.425 -8.402 3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.740 -7.850 5.257 1.00 0.00 H new ATOM 834 N LYS A 139 10.477 -7.708 -1.188 1.00 0.00 N ATOM 835 CA LYS A 139 11.303 -8.909 -1.152 1.00 0.00 C ATOM 836 C LYS A 139 12.054 -9.090 -2.468 1.00 0.00 C ATOM 837 O LYS A 139 13.225 -9.469 -2.478 1.00 0.00 O ATOM 838 CB LYS A 139 10.440 -10.141 -0.872 1.00 0.00 C ATOM 839 CG LYS A 139 11.240 -11.425 -0.724 1.00 0.00 C ATOM 840 CD LYS A 139 10.338 -12.611 -0.424 1.00 0.00 C ATOM 841 CE LYS A 139 9.431 -12.934 -1.601 1.00 0.00 C ATOM 842 NZ LYS A 139 10.209 -13.315 -2.813 1.00 0.00 N ATOM 0 H LYS A 139 9.521 -7.862 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 139 12.031 -8.795 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 139 9.867 -9.973 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.721 -10.262 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.799 -11.614 -1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.970 -11.310 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.948 -13.482 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.731 -12.395 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 139 8.760 -13.749 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 139 8.807 -12.069 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 9.583 -13.797 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 10.604 -12.460 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 10.983 -13.954 -2.542 1.00 0.00 H new ATOM 856 N GLN A 140 11.371 -8.815 -3.575 1.00 0.00 N ATOM 857 CA GLN A 140 11.975 -8.948 -4.896 1.00 0.00 C ATOM 858 C GLN A 140 13.011 -7.853 -5.132 1.00 0.00 C ATOM 859 O GLN A 140 14.007 -8.064 -5.822 1.00 0.00 O ATOM 860 CB GLN A 140 10.898 -8.893 -5.981 1.00 0.00 C ATOM 861 CG GLN A 140 11.434 -9.141 -7.381 1.00 0.00 C ATOM 862 CD GLN A 140 12.084 -10.504 -7.525 1.00 0.00 C ATOM 863 OE1 GLN A 140 13.284 -10.658 -7.298 1.00 0.00 O ATOM 864 NE2 GLN A 140 11.292 -11.501 -7.903 1.00 0.00 N ATOM 0 H GLN A 140 10.401 -8.499 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 140 12.477 -9.914 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.131 -9.634 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.415 -7.916 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 140 10.618 -9.054 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.161 -8.368 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 140 10.303 -11.327 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 140 11.673 -12.440 -8.016 1.00 0.00 H new ATOM 873 N GLN A 141 12.768 -6.681 -4.551 1.00 0.00 N ATOM 874 CA GLN A 141 13.682 -5.552 -4.695 1.00 0.00 C ATOM 875 C GLN A 141 14.381 -5.252 -3.373 1.00 0.00 C ATOM 876 O GLN A 141 14.793 -4.120 -3.120 1.00 0.00 O ATOM 877 CB GLN A 141 12.928 -4.312 -5.179 1.00 0.00 C ATOM 878 CG GLN A 141 12.251 -4.498 -6.528 1.00 0.00 C ATOM 879 CD GLN A 141 13.245 -4.641 -7.664 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.668 -5.748 -7.999 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.626 -3.518 -8.263 1.00 0.00 N ATOM 0 H GLN A 141 11.947 -6.489 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 141 14.436 -5.819 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.175 -4.043 -4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.624 -3.476 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 141 11.615 -5.383 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 141 11.600 -3.646 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.250 -2.622 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 141 14.294 -3.552 -9.033 1.00 0.00 H new ATOM 890 N GLU A 142 14.514 -6.275 -2.536 1.00 0.00 N ATOM 891 CA GLU A 142 15.161 -6.130 -1.236 1.00 0.00 C ATOM 892 C GLU A 142 16.481 -5.371 -1.357 1.00 0.00 C ATOM 893 O GLU A 142 17.509 -6.014 -1.651 1.00 0.00 O ATOM 894 CB GLU A 142 15.402 -7.506 -0.611 1.00 0.00 C ATOM 895 CG GLU A 142 16.053 -8.501 -1.559 1.00 0.00 C ATOM 896 CD GLU A 142 16.230 -9.871 -0.935 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.268 -10.667 -0.967 1.00 0.00 O ATOM 898 OE2 GLU A 142 17.330 -10.147 -0.412 1.00 0.00 O ATOM 899 OXT GLU A 142 16.472 -4.137 -1.156 1.00 0.00 O ATOM 0 H GLU A 142 14.181 -7.218 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 142 14.497 -5.554 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.033 -7.390 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.450 -7.912 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 142 15.444 -8.592 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.026 -8.119 -1.869 1.00 0.00 H new