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= 2.4 USER MOD Set 1.2: A 111 CYS SG : rot -19:sc= 2.3 USER MOD Set 1.3: A 113 THR OG1 : rot 117:sc= 1.14 USER MOD Set 1.4: A 134 CYS SG : rot 180:sc= 1.06 USER MOD Set 1.5: A 137 CYS SG : rot 90:sc= 0.104 USER MOD Set 2.1: A 92 CYS SG : rot 142:sc= 1.87 USER MOD Set 2.2: A 95 CYS SG : rot -12:sc= 0.707 USER MOD Set 2.3: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 116 CYS SG : rot 180:sc= 0.649 USER MOD Set 2.5: A 119 CYS SG : rot 89:sc= -1.58 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.0014) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= -0.0789 (180deg=-0.438) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-8!) USER MOD Single : A 107 ASN :FLIP amide:sc=-0.00346 F(o=-1.6,f=-0.0035) USER MOD Single : A 109 SER OG : rot -21:sc= 0.359 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.77! C(o=-4.1!,f=-2.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 162:sc= -0.138 (180deg=-0.683) USER MOD Single : A 135 ASN : amide:sc= -3.38 K(o=-3.4,f=-14!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN : amide:sc= -0.0582 X(o=-0.058,f=0.1) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.135 1.145 0.659 1.00 0.00 N ATOM 102 CA PRO A 90 -10.727 0.843 0.411 1.00 0.00 C ATOM 103 C PRO A 90 -10.404 -0.601 0.760 1.00 0.00 C ATOM 104 O PRO A 90 -10.725 -1.061 1.853 1.00 0.00 O ATOM 105 CB PRO A 90 -9.981 1.800 1.355 1.00 0.00 C ATOM 106 CG PRO A 90 -11.038 2.617 2.036 1.00 0.00 C ATOM 107 CD PRO A 90 -12.299 1.811 1.949 1.00 0.00 C ATOM 0 HA PRO A 90 -10.452 0.968 -0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.387 1.246 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.292 2.437 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.771 2.814 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.158 3.585 1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.387 1.099 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.189 2.439 1.975 1.00 0.00 H new ATOM 115 N THR A 91 -9.761 -1.313 -0.158 1.00 0.00 N ATOM 116 CA THR A 91 -9.435 -2.715 0.079 1.00 0.00 C ATOM 117 C THR A 91 -8.007 -3.061 -0.317 1.00 0.00 C ATOM 118 O THR A 91 -7.431 -2.471 -1.229 1.00 0.00 O ATOM 119 CB THR A 91 -10.394 -3.652 -0.676 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.647 -3.144 -1.991 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.703 -3.804 0.081 1.00 0.00 C ATOM 0 H THR A 91 -9.458 -0.950 -1.062 1.00 0.00 H new ATOM 0 HA THR A 91 -9.543 -2.862 1.154 1.00 0.00 H new ATOM 0 HB THR A 91 -9.923 -4.632 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.257 -3.748 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.367 -4.470 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.506 -4.223 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.176 -2.828 0.189 1.00 0.00 H new ATOM 129 N CYS A 92 -7.453 -4.034 0.395 1.00 0.00 N ATOM 130 CA CYS A 92 -6.104 -4.517 0.150 1.00 0.00 C ATOM 131 C CYS A 92 -6.055 -5.348 -1.132 1.00 0.00 C ATOM 132 O CYS A 92 -6.926 -6.184 -1.372 1.00 0.00 O ATOM 133 CB CYS A 92 -5.661 -5.357 1.346 1.00 0.00 C ATOM 134 SG CYS A 92 -3.984 -6.010 1.245 1.00 0.00 S ATOM 0 H CYS A 92 -7.930 -4.511 1.161 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.430 -3.670 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.744 -4.749 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.353 -6.192 1.460 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.428 -5.962 2.419 1.00 0.00 H new ATOM 139 N GLY A 93 -5.026 -5.123 -1.947 1.00 0.00 N ATOM 140 CA GLY A 93 -4.890 -5.852 -3.198 1.00 0.00 C ATOM 141 C GLY A 93 -4.244 -7.218 -3.032 1.00 0.00 C ATOM 142 O GLY A 93 -3.861 -7.852 -4.015 1.00 0.00 O ATOM 0 H GLY A 93 -4.284 -4.448 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.876 -5.976 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.296 -5.259 -3.893 1.00 0.00 H new ATOM 146 N ILE A 94 -4.124 -7.675 -1.789 1.00 0.00 N ATOM 147 CA ILE A 94 -3.524 -8.968 -1.501 1.00 0.00 C ATOM 148 C ILE A 94 -4.520 -9.883 -0.796 1.00 0.00 C ATOM 149 O ILE A 94 -4.985 -10.870 -1.366 1.00 0.00 O ATOM 150 CB ILE A 94 -2.261 -8.811 -0.626 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.204 -7.991 -1.361 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.692 -10.169 -0.240 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.430 -6.497 -1.292 1.00 0.00 C ATOM 0 H ILE A 94 -4.437 -7.164 -0.963 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.240 -9.416 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.546 -8.287 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.224 -8.220 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.183 -8.297 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.803 -10.030 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.439 -10.730 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.426 -10.721 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.638 -5.984 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.394 -6.254 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.421 -6.175 -0.251 1.00 0.00 H new ATOM 165 N CYS A 95 -4.843 -9.550 0.449 1.00 0.00 N ATOM 166 CA CYS A 95 -5.783 -10.347 1.229 1.00 0.00 C ATOM 167 C CYS A 95 -7.228 -9.887 1.019 1.00 0.00 C ATOM 168 O CYS A 95 -8.167 -10.567 1.432 1.00 0.00 O ATOM 169 CB CYS A 95 -5.422 -10.311 2.720 1.00 0.00 C ATOM 170 SG CYS A 95 -5.031 -8.653 3.373 1.00 0.00 S ATOM 0 H CYS A 95 -4.469 -8.737 0.938 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.707 -11.375 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.254 -10.724 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.565 -10.963 2.888 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.881 -7.822 2.385 1.00 0.00 H new ATOM 175 N HIS A 96 -7.404 -8.731 0.373 1.00 0.00 N ATOM 176 CA HIS A 96 -8.736 -8.197 0.103 1.00 0.00 C ATOM 177 C HIS A 96 -9.599 -8.187 1.361 1.00 0.00 C ATOM 178 O HIS A 96 -10.826 -8.205 1.282 1.00 0.00 O ATOM 179 CB HIS A 96 -9.428 -9.017 -0.990 1.00 0.00 C ATOM 180 CG HIS A 96 -8.749 -8.936 -2.323 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.094 -10.002 -2.899 1.00 0.00 N ATOM 182 CD2 HIS A 96 -8.636 -7.909 -3.198 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.605 -9.636 -4.071 1.00 0.00 C ATOM 184 NE2 HIS A 96 -7.921 -8.370 -4.276 1.00 0.00 N ATOM 0 H HIS A 96 -6.640 -8.150 0.029 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.615 -7.169 -0.237 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.472 -10.060 -0.677 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.457 -8.672 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.034 -6.913 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.043 -10.265 -4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.674 -7.823 -5.101 1.00 0.00 H new ATOM 193 N LYS A 97 -8.951 -8.148 2.521 1.00 0.00 N ATOM 194 CA LYS A 97 -9.665 -8.135 3.792 1.00 0.00 C ATOM 195 C LYS A 97 -9.482 -6.794 4.491 1.00 0.00 C ATOM 196 O LYS A 97 -10.452 -6.092 4.776 1.00 0.00 O ATOM 197 CB LYS A 97 -9.163 -9.269 4.690 1.00 0.00 C ATOM 198 CG LYS A 97 -10.118 -9.630 5.817 1.00 0.00 C ATOM 199 CD LYS A 97 -10.398 -8.442 6.724 1.00 0.00 C ATOM 200 CE LYS A 97 -11.185 -8.858 7.957 1.00 0.00 C ATOM 201 NZ LYS A 97 -10.431 -9.828 8.800 1.00 0.00 N ATOM 0 H LYS A 97 -7.935 -8.125 2.607 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.727 -8.283 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.988 -10.154 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.203 -8.982 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.055 -9.995 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.695 -10.444 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.456 -7.985 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.956 -7.685 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.426 -7.975 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.131 -9.304 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.845 -9.854 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.486 -10.775 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.436 -9.533 8.862 1.00 0.00 H new ATOM 215 N THR A 98 -8.230 -6.445 4.764 1.00 0.00 N ATOM 216 CA THR A 98 -7.911 -5.188 5.423 1.00 0.00 C ATOM 217 C THR A 98 -8.332 -4.001 4.561 1.00 0.00 C ATOM 218 O THR A 98 -7.729 -3.733 3.522 1.00 0.00 O ATOM 219 CB THR A 98 -6.402 -5.091 5.724 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.014 -6.136 6.624 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.044 -3.740 6.325 1.00 0.00 C ATOM 0 H THR A 98 -7.418 -7.019 4.537 1.00 0.00 H new ATOM 0 HA THR A 98 -8.463 -5.161 6.362 1.00 0.00 H new ATOM 0 HB THR A 98 -5.864 -5.200 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.054 -6.069 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.973 -3.703 6.526 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.309 -2.948 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.593 -3.599 7.256 1.00 0.00 H new ATOM 229 N LYS A 99 -9.369 -3.293 4.995 1.00 0.00 N ATOM 230 CA LYS A 99 -9.856 -2.136 4.264 1.00 0.00 C ATOM 231 C LYS A 99 -9.200 -0.871 4.800 1.00 0.00 C ATOM 232 O LYS A 99 -9.292 -0.568 5.989 1.00 0.00 O ATOM 233 CB LYS A 99 -11.378 -2.040 4.384 1.00 0.00 C ATOM 234 CG LYS A 99 -12.102 -3.292 3.916 1.00 0.00 C ATOM 235 CD LYS A 99 -13.522 -3.352 4.456 1.00 0.00 C ATOM 236 CE LYS A 99 -14.354 -2.175 3.973 1.00 0.00 C ATOM 237 NZ LYS A 99 -15.748 -2.229 4.494 1.00 0.00 N ATOM 0 H LYS A 99 -9.886 -3.502 5.849 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.598 -2.246 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.641 -1.845 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.728 -1.188 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.125 -3.314 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.551 -4.175 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.992 -4.284 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.498 -3.358 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.884 -1.244 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.374 -2.167 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.282 -1.409 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.206 -3.105 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.731 -2.210 5.534 1.00 0.00 H new ATOM 251 N PHE A 100 -8.536 -0.135 3.917 1.00 0.00 N ATOM 252 CA PHE A 100 -7.850 1.088 4.316 1.00 0.00 C ATOM 253 C PHE A 100 -8.814 2.045 5.007 1.00 0.00 C ATOM 254 O PHE A 100 -10.030 1.888 4.914 1.00 0.00 O ATOM 255 CB PHE A 100 -7.212 1.772 3.106 1.00 0.00 C ATOM 256 CG PHE A 100 -6.601 0.821 2.116 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.742 -0.184 2.533 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.877 0.942 0.763 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.170 -1.048 1.619 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.310 0.080 -0.155 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.455 -0.916 0.273 1.00 0.00 C ATOM 0 H PHE A 100 -8.458 -0.362 2.926 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.062 0.817 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.969 2.370 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.442 2.460 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.517 -0.293 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.544 1.720 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.501 -1.826 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.535 0.185 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.010 -1.591 -0.443 1.00 0.00 H new ATOM 311 N GLY A 105 -5.182 3.601 1.711 1.00 0.00 N ATOM 312 CA GLY A 105 -4.219 2.923 2.560 1.00 0.00 C ATOM 313 C GLY A 105 -2.798 3.056 2.052 1.00 0.00 C ATOM 314 O GLY A 105 -2.359 4.148 1.689 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.280 3.331 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.480 1.867 2.627 1.00 0.00 H new ATOM 318 N HIS A 106 -2.079 1.940 2.027 1.00 0.00 N ATOM 319 CA HIS A 106 -0.698 1.931 1.559 1.00 0.00 C ATOM 320 C HIS A 106 -0.632 1.495 0.102 1.00 0.00 C ATOM 321 O HIS A 106 -1.139 0.434 -0.262 1.00 0.00 O ATOM 322 CB HIS A 106 0.153 0.999 2.425 1.00 0.00 C ATOM 323 CG HIS A 106 0.056 1.292 3.890 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.807 2.264 4.515 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.714 0.734 4.855 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.507 2.291 5.801 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.413 1.374 6.032 1.00 0.00 N ATOM 0 H HIS A 106 -2.429 1.030 2.325 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.302 2.943 1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.155 -0.031 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.195 1.078 2.115 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.488 2.868 4.056 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.430 -0.064 4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.941 2.951 6.538 1.00 0.00 H new ATOM 336 N ASN A 107 -0.001 2.316 -0.729 1.00 0.00 N ATOM 337 CA ASN A 107 0.121 2.014 -2.148 1.00 0.00 C ATOM 338 C ASN A 107 1.572 1.741 -2.526 1.00 0.00 C ATOM 339 O ASN A 107 2.469 2.524 -2.215 1.00 0.00 O ATOM 340 CB ASN A 107 -0.436 3.167 -2.987 1.00 0.00 C ATOM 341 CG ASN A 107 -1.824 3.608 -2.544 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.623 2.674 -2.033 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.176 4.781 -2.664 1.00 0.00 N flip ATOM 0 H ASN A 107 0.433 3.194 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.460 1.115 -2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.245 4.016 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.474 2.863 -4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.535 5.468 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.109 5.066 -2.367 1.00 0.00 H new ATOM 350 N CYS A 108 1.786 0.616 -3.198 1.00 0.00 N ATOM 351 CA CYS A 108 3.119 0.213 -3.625 1.00 0.00 C ATOM 352 C CYS A 108 3.786 1.301 -4.460 1.00 0.00 C ATOM 353 O CYS A 108 3.240 1.752 -5.466 1.00 0.00 O ATOM 354 CB CYS A 108 3.037 -1.077 -4.436 1.00 0.00 C ATOM 355 SG CYS A 108 4.639 -1.816 -4.816 1.00 0.00 S ATOM 0 H CYS A 108 1.047 -0.037 -3.460 1.00 0.00 H new ATOM 0 HA CYS A 108 3.723 0.049 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.437 -1.801 -3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.513 -0.873 -5.370 1.00 0.00 H new ATOM 0 HG CYS A 108 4.615 -3.081 -4.518 1.00 0.00 H new ATOM 360 N SER A 109 4.972 1.711 -4.034 1.00 0.00 N ATOM 361 CA SER A 109 5.727 2.742 -4.736 1.00 0.00 C ATOM 362 C SER A 109 6.135 2.290 -6.141 1.00 0.00 C ATOM 363 O SER A 109 6.591 3.101 -6.948 1.00 0.00 O ATOM 364 CB SER A 109 6.972 3.117 -3.932 1.00 0.00 C ATOM 365 OG SER A 109 7.725 4.118 -4.594 1.00 0.00 O ATOM 0 H SER A 109 5.435 1.344 -3.202 1.00 0.00 H new ATOM 0 HA SER A 109 5.079 3.613 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.677 3.473 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.591 2.233 -3.781 1.00 0.00 H new ATOM 0 HG SER A 109 7.492 4.127 -5.546 1.00 0.00 H new ATOM 371 N TYR A 110 5.976 0.999 -6.433 1.00 0.00 N ATOM 372 CA TYR A 110 6.353 0.468 -7.738 1.00 0.00 C ATOM 373 C TYR A 110 5.137 0.168 -8.619 1.00 0.00 C ATOM 374 O TYR A 110 4.806 0.951 -9.510 1.00 0.00 O ATOM 375 CB TYR A 110 7.204 -0.791 -7.566 1.00 0.00 C ATOM 376 CG TYR A 110 8.530 -0.529 -6.885 1.00 0.00 C ATOM 377 CD1 TYR A 110 8.643 -0.570 -5.500 1.00 0.00 C ATOM 378 CD2 TYR A 110 9.668 -0.235 -7.628 1.00 0.00 C ATOM 379 CE1 TYR A 110 9.852 -0.326 -4.876 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.880 0.010 -7.010 1.00 0.00 C ATOM 381 CZ TYR A 110 10.967 -0.037 -5.635 1.00 0.00 C ATOM 382 OH TYR A 110 12.170 0.208 -5.015 1.00 0.00 O ATOM 0 H TYR A 110 5.592 0.309 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 110 6.936 1.237 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.644 -1.523 -6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.387 -1.234 -8.545 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.772 -0.796 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.604 -0.197 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.923 -0.361 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.755 0.237 -7.602 1.00 0.00 H new ATOM 0 HH TYR A 110 12.855 0.394 -5.691 1.00 0.00 H new ATOM 392 N CYS A 111 4.476 -0.964 -8.379 1.00 0.00 N ATOM 393 CA CYS A 111 3.314 -1.344 -9.182 1.00 0.00 C ATOM 394 C CYS A 111 2.052 -0.570 -8.782 1.00 0.00 C ATOM 395 O CYS A 111 0.977 -0.806 -9.335 1.00 0.00 O ATOM 396 CB CYS A 111 3.065 -2.855 -9.103 1.00 0.00 C ATOM 397 SG CYS A 111 3.041 -3.538 -7.414 1.00 0.00 S ATOM 0 H CYS A 111 4.721 -1.627 -7.644 1.00 0.00 H new ATOM 0 HA CYS A 111 3.543 -1.079 -10.214 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.112 -3.078 -9.583 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.838 -3.367 -9.676 1.00 0.00 H new ATOM 0 HG CYS A 111 3.636 -2.713 -6.604 1.00 0.00 H new ATOM 402 N GLN A 112 2.180 0.347 -7.826 1.00 0.00 N ATOM 403 CA GLN A 112 1.046 1.161 -7.387 1.00 0.00 C ATOM 404 C GLN A 112 -0.069 0.319 -6.769 1.00 0.00 C ATOM 405 O GLN A 112 -1.180 0.810 -6.568 1.00 0.00 O ATOM 406 CB GLN A 112 0.488 1.963 -8.564 1.00 0.00 C ATOM 407 CG GLN A 112 1.347 3.156 -8.953 1.00 0.00 C ATOM 408 CD GLN A 112 2.779 2.768 -9.261 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.627 2.788 -8.240 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 3.120 2.455 -10.401 1.00 0.00 N flip ATOM 0 H GLN A 112 3.055 0.546 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 112 1.416 1.837 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.386 1.303 -9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.513 2.314 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.911 3.644 -9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.338 3.885 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.434 2.453 -11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.088 2.197 -10.591 1.00 0.00 H new ATOM 419 N THR A 113 0.220 -0.942 -6.470 1.00 0.00 N ATOM 420 CA THR A 113 -0.775 -1.821 -5.876 1.00 0.00 C ATOM 421 C THR A 113 -1.172 -1.338 -4.484 1.00 0.00 C ATOM 422 O THR A 113 -0.315 -1.000 -3.667 1.00 0.00 O ATOM 423 CB THR A 113 -0.265 -3.269 -5.775 1.00 0.00 C ATOM 424 OG1 THR A 113 0.171 -3.726 -7.061 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.355 -4.192 -5.248 1.00 0.00 C ATOM 0 H THR A 113 1.130 -1.375 -6.629 1.00 0.00 H new ATOM 0 HA THR A 113 -1.645 -1.798 -6.532 1.00 0.00 H new ATOM 0 HB THR A 113 0.573 -3.287 -5.079 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.130 -3.927 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 113 -0.971 -5.210 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.666 -3.860 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.210 -4.168 -5.923 1.00 0.00 H new ATOM 433 N LYS A 114 -2.474 -1.305 -4.220 1.00 0.00 N ATOM 434 CA LYS A 114 -2.976 -0.872 -2.921 1.00 0.00 C ATOM 435 C LYS A 114 -2.938 -2.030 -1.931 1.00 0.00 C ATOM 436 O LYS A 114 -3.647 -3.020 -2.097 1.00 0.00 O ATOM 437 CB LYS A 114 -4.406 -0.347 -3.047 1.00 0.00 C ATOM 438 CG LYS A 114 -4.576 0.710 -4.127 1.00 0.00 C ATOM 439 CD LYS A 114 -6.007 1.220 -4.183 1.00 0.00 C ATOM 440 CE LYS A 114 -6.175 2.294 -5.245 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.571 2.811 -5.294 1.00 0.00 N ATOM 0 H LYS A 114 -3.199 -1.572 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.337 -0.068 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.073 -1.182 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.716 0.072 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.899 1.542 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.299 0.292 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.682 0.390 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.289 1.622 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.490 3.117 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.904 1.887 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.645 3.542 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.223 2.031 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.821 3.222 -4.372 1.00 0.00 H new ATOM 455 N PHE A 115 -2.107 -1.901 -0.905 1.00 0.00 N ATOM 456 CA PHE A 115 -1.975 -2.952 0.096 1.00 0.00 C ATOM 457 C PHE A 115 -2.057 -2.397 1.512 1.00 0.00 C ATOM 458 O PHE A 115 -1.922 -1.194 1.734 1.00 0.00 O ATOM 459 CB PHE A 115 -0.660 -3.706 -0.090 1.00 0.00 C ATOM 460 CG PHE A 115 0.557 -2.830 -0.039 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.956 -2.240 1.150 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.307 -2.603 -1.181 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.083 -1.442 1.197 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.433 -1.805 -1.139 1.00 0.00 C ATOM 465 CZ PHE A 115 2.821 -1.224 0.051 1.00 0.00 C ATOM 0 H PHE A 115 -1.517 -1.084 -0.744 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.808 -3.640 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.578 -4.470 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.682 -4.224 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.380 -2.406 2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.008 -3.055 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.386 -0.989 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.009 -1.636 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.701 -0.599 0.086 1.00 0.00 H new ATOM 475 N CYS A 116 -2.286 -3.293 2.464 1.00 0.00 N ATOM 476 CA CYS A 116 -2.394 -2.924 3.867 1.00 0.00 C ATOM 477 C CYS A 116 -1.016 -2.904 4.521 1.00 0.00 C ATOM 478 O CYS A 116 -0.041 -3.388 3.946 1.00 0.00 O ATOM 479 CB CYS A 116 -3.313 -3.907 4.598 1.00 0.00 C ATOM 480 SG CYS A 116 -2.710 -5.627 4.605 1.00 0.00 S ATOM 0 H CYS A 116 -2.401 -4.291 2.285 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.822 -1.924 3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.438 -3.573 5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.298 -3.881 4.133 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.553 -6.380 5.247 1.00 0.00 H new ATOM 485 N ALA A 117 -0.941 -2.353 5.725 1.00 0.00 N ATOM 486 CA ALA A 117 0.323 -2.270 6.449 1.00 0.00 C ATOM 487 C ALA A 117 0.943 -3.650 6.669 1.00 0.00 C ATOM 488 O ALA A 117 2.130 -3.761 6.974 1.00 0.00 O ATOM 489 CB ALA A 117 0.119 -1.566 7.782 1.00 0.00 C ATOM 0 H ALA A 117 -1.739 -1.957 6.222 1.00 0.00 H new ATOM 0 HA ALA A 117 1.016 -1.691 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.069 -1.510 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.259 -0.559 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.600 -2.124 8.382 1.00 0.00 H new ATOM 495 N ARG A 118 0.139 -4.701 6.514 1.00 0.00 N ATOM 496 CA ARG A 118 0.624 -6.062 6.708 1.00 0.00 C ATOM 497 C ARG A 118 1.089 -6.693 5.396 1.00 0.00 C ATOM 498 O ARG A 118 1.807 -7.694 5.405 1.00 0.00 O ATOM 499 CB ARG A 118 -0.468 -6.925 7.342 1.00 0.00 C ATOM 500 CG ARG A 118 -0.903 -6.440 8.714 1.00 0.00 C ATOM 501 CD ARG A 118 -2.003 -7.317 9.290 1.00 0.00 C ATOM 502 NE ARG A 118 -1.599 -8.718 9.367 1.00 0.00 N ATOM 503 CZ ARG A 118 -2.358 -9.675 9.891 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.551 -9.380 10.388 1.00 0.00 N ATOM 505 NH2 ARG A 118 -1.923 -10.927 9.917 1.00 0.00 N ATOM 0 H ARG A 118 -0.846 -4.635 6.256 1.00 0.00 H new ATOM 0 HA ARG A 118 1.484 -6.012 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.334 -6.945 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.107 -7.950 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.047 -6.437 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.256 -5.411 8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.268 -6.960 10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.897 -7.230 8.672 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.684 -8.977 8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.888 -8.417 10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.132 -10.116 10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -1.005 -11.156 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -2.506 -11.661 10.319 1.00 0.00 H new ATOM 519 N CYS A 119 0.685 -6.111 4.269 1.00 0.00 N ATOM 520 CA CYS A 119 1.080 -6.636 2.966 1.00 0.00 C ATOM 521 C CYS A 119 2.096 -5.721 2.298 1.00 0.00 C ATOM 522 O CYS A 119 2.069 -5.522 1.083 1.00 0.00 O ATOM 523 CB CYS A 119 -0.139 -6.810 2.066 1.00 0.00 C ATOM 524 SG CYS A 119 -1.188 -8.232 2.506 1.00 0.00 S ATOM 0 H CYS A 119 0.090 -5.283 4.232 1.00 0.00 H new ATOM 0 HA CYS A 119 1.543 -7.610 3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.740 -5.902 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.197 -6.924 1.035 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.079 -7.861 3.377 1.00 0.00 H new ATOM 529 N GLY A 120 2.989 -5.166 3.106 1.00 0.00 N ATOM 530 CA GLY A 120 4.012 -4.278 2.589 1.00 0.00 C ATOM 531 C GLY A 120 4.975 -3.822 3.666 1.00 0.00 C ATOM 532 O GLY A 120 5.128 -4.485 4.691 1.00 0.00 O ATOM 0 H GLY A 120 3.023 -5.316 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.567 -4.786 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.539 -3.407 2.135 1.00 0.00 H new ATOM 536 N GLY A 121 5.624 -2.687 3.434 1.00 0.00 N ATOM 537 CA GLY A 121 6.566 -2.168 4.404 1.00 0.00 C ATOM 538 C GLY A 121 6.821 -0.684 4.232 1.00 0.00 C ATOM 539 O GLY A 121 6.641 -0.136 3.144 1.00 0.00 O ATOM 0 H GLY A 121 5.514 -2.119 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.187 -2.354 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.509 -2.708 4.314 1.00 0.00 H new ATOM 543 N ARG A 122 7.243 -0.030 5.310 1.00 0.00 N ATOM 544 CA ARG A 122 7.528 1.397 5.277 1.00 0.00 C ATOM 545 C ARG A 122 8.966 1.648 4.839 1.00 0.00 C ATOM 546 O ARG A 122 9.904 1.086 5.405 1.00 0.00 O ATOM 547 CB ARG A 122 7.291 2.015 6.656 1.00 0.00 C ATOM 548 CG ARG A 122 7.570 3.506 6.708 1.00 0.00 C ATOM 549 CD ARG A 122 7.435 4.048 8.121 1.00 0.00 C ATOM 550 NE ARG A 122 8.405 3.447 9.032 1.00 0.00 N ATOM 551 CZ ARG A 122 8.603 3.868 10.276 1.00 0.00 C ATOM 552 NH1 ARG A 122 7.902 4.888 10.753 1.00 0.00 N ATOM 553 NH2 ARG A 122 9.502 3.270 11.046 1.00 0.00 N ATOM 0 H ARG A 122 7.395 -0.469 6.218 1.00 0.00 H new ATOM 0 HA ARG A 122 6.857 1.863 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.257 1.836 6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.924 1.509 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.576 3.702 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.878 4.030 6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.571 5.129 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.426 3.857 8.488 1.00 0.00 H new ATOM 0 HE ARG A 122 8.961 2.661 8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.209 5.351 10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.056 5.210 11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.043 2.485 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.652 3.595 12.001 1.00 0.00 H new ATOM 700 N MET A 131 7.250 6.309 1.374 1.00 0.00 N ATOM 701 CA MET A 131 6.771 5.448 0.300 1.00 0.00 C ATOM 702 C MET A 131 6.614 4.018 0.792 1.00 0.00 C ATOM 703 O MET A 131 7.450 3.505 1.535 1.00 0.00 O ATOM 704 CB MET A 131 7.721 5.485 -0.894 1.00 0.00 C ATOM 705 CG MET A 131 9.170 5.224 -0.526 1.00 0.00 C ATOM 706 SD MET A 131 10.262 5.214 -1.960 1.00 0.00 S ATOM 707 CE MET A 131 10.017 6.874 -2.587 1.00 0.00 C ATOM 0 HA MET A 131 5.798 5.822 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.401 4.743 -1.625 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.647 6.460 -1.376 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.505 5.988 0.175 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.243 4.265 -0.012 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.835 7.134 -3.259 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.073 6.922 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.993 7.578 -1.755 1.00 0.00 H new ATOM 717 N TRP A 132 5.535 3.382 0.367 1.00 0.00 N ATOM 718 CA TRP A 132 5.249 2.011 0.765 1.00 0.00 C ATOM 719 C TRP A 132 5.418 1.047 -0.404 1.00 0.00 C ATOM 720 O TRP A 132 5.045 1.353 -1.536 1.00 0.00 O ATOM 721 CB TRP A 132 3.833 1.914 1.333 1.00 0.00 C ATOM 722 CG TRP A 132 3.739 2.357 2.760 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.631 3.638 3.218 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.748 1.516 3.917 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.573 3.643 4.592 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.642 2.351 5.043 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.833 0.134 4.106 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.622 1.850 6.343 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.813 -0.363 5.395 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.707 0.493 6.500 1.00 0.00 C ATOM 0 H TRP A 132 4.840 3.794 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 132 5.964 1.727 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.162 2.522 0.726 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.487 0.883 1.256 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.596 4.518 2.593 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.492 4.473 5.179 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.913 -0.533 3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.542 2.508 7.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.880 -1.429 5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.692 0.073 7.495 1.00 0.00 H new ATOM 741 N VAL A 133 5.983 -0.120 -0.115 1.00 0.00 N ATOM 742 CA VAL A 133 6.206 -1.139 -1.132 1.00 0.00 C ATOM 743 C VAL A 133 5.669 -2.491 -0.672 1.00 0.00 C ATOM 744 O VAL A 133 5.979 -2.951 0.426 1.00 0.00 O ATOM 745 CB VAL A 133 7.704 -1.279 -1.465 1.00 0.00 C ATOM 746 CG1 VAL A 133 7.919 -2.348 -2.524 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.276 0.055 -1.918 1.00 0.00 C ATOM 0 H VAL A 133 6.296 -0.384 0.819 1.00 0.00 H new ATOM 0 HA VAL A 133 5.672 -0.822 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 133 8.231 -1.586 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 133 8.983 -2.432 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.548 -3.305 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.380 -2.075 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.335 -0.063 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 133 7.746 0.395 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.158 0.791 -1.122 1.00 0.00 H new ATOM 757 N CYS A 134 4.862 -3.121 -1.519 1.00 0.00 N ATOM 758 CA CYS A 134 4.278 -4.419 -1.196 1.00 0.00 C ATOM 759 C CYS A 134 5.361 -5.457 -0.925 1.00 0.00 C ATOM 760 O CYS A 134 6.478 -5.359 -1.431 1.00 0.00 O ATOM 761 CB CYS A 134 3.368 -4.903 -2.327 1.00 0.00 C ATOM 762 SG CYS A 134 4.231 -5.246 -3.896 1.00 0.00 S ATOM 0 H CYS A 134 4.597 -2.755 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 134 3.682 -4.294 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 134 2.857 -5.809 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.600 -4.150 -2.506 1.00 0.00 H new ATOM 0 HG CYS A 134 3.372 -5.650 -4.784 1.00 0.00 H new ATOM 767 N ASN A 135 5.011 -6.454 -0.118 1.00 0.00 N ATOM 768 CA ASN A 135 5.935 -7.526 0.246 1.00 0.00 C ATOM 769 C ASN A 135 6.481 -8.255 -0.982 1.00 0.00 C ATOM 770 O ASN A 135 7.479 -8.970 -0.891 1.00 0.00 O ATOM 771 CB ASN A 135 5.244 -8.524 1.177 1.00 0.00 C ATOM 772 CG ASN A 135 4.002 -9.134 0.556 1.00 0.00 C ATOM 773 OD1 ASN A 135 3.908 -9.274 -0.663 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.042 -9.503 1.397 1.00 0.00 N ATOM 0 H ASN A 135 4.085 -6.543 0.300 1.00 0.00 H new ATOM 0 HA ASN A 135 6.779 -7.067 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 135 5.944 -9.318 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 135 4.973 -8.022 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 135 2.184 -9.922 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.163 -9.368 2.401 1.00 0.00 H new ATOM 781 N LEU A 136 5.833 -8.072 -2.129 1.00 0.00 N ATOM 782 CA LEU A 136 6.265 -8.726 -3.359 1.00 0.00 C ATOM 783 C LEU A 136 7.406 -7.951 -4.009 1.00 0.00 C ATOM 784 O LEU A 136 8.313 -8.539 -4.597 1.00 0.00 O ATOM 785 CB LEU A 136 5.090 -8.836 -4.333 1.00 0.00 C ATOM 786 CG LEU A 136 3.756 -9.205 -3.687 1.00 0.00 C ATOM 787 CD1 LEU A 136 2.630 -9.139 -4.708 1.00 0.00 C ATOM 788 CD2 LEU A 136 3.834 -10.592 -3.067 1.00 0.00 C ATOM 0 H LEU A 136 5.010 -7.478 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 136 6.622 -9.726 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.976 -7.884 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.331 -9.584 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 136 3.544 -8.484 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.688 -9.405 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.560 -8.127 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.834 -9.837 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.876 -10.841 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.069 -11.324 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.614 -10.607 -2.305 1.00 0.00 H new ATOM 800 N CYS A 137 7.353 -6.629 -3.895 1.00 0.00 N ATOM 801 CA CYS A 137 8.387 -5.769 -4.462 1.00 0.00 C ATOM 802 C CYS A 137 9.507 -5.542 -3.451 1.00 0.00 C ATOM 803 O CYS A 137 10.682 -5.474 -3.813 1.00 0.00 O ATOM 804 CB CYS A 137 7.787 -4.427 -4.889 1.00 0.00 C ATOM 805 SG CYS A 137 6.797 -4.506 -6.417 1.00 0.00 S ATOM 0 H CYS A 137 6.605 -6.128 -3.415 1.00 0.00 H new ATOM 0 HA CYS A 137 8.803 -6.265 -5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.160 -4.049 -4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.595 -3.708 -5.029 1.00 0.00 H new ATOM 0 HG CYS A 137 5.559 -4.768 -6.119 1.00 0.00 H new ATOM 810 N ARG A 138 9.131 -5.427 -2.182 1.00 0.00 N ATOM 811 CA ARG A 138 10.094 -5.212 -1.108 1.00 0.00 C ATOM 812 C ARG A 138 11.053 -6.394 -0.989 1.00 0.00 C ATOM 813 O ARG A 138 12.241 -6.217 -0.722 1.00 0.00 O ATOM 814 CB ARG A 138 9.360 -4.994 0.220 1.00 0.00 C ATOM 815 CG ARG A 138 10.271 -4.996 1.438 1.00 0.00 C ATOM 816 CD ARG A 138 9.474 -4.858 2.725 1.00 0.00 C ATOM 817 NE ARG A 138 10.202 -5.374 3.881 1.00 0.00 N ATOM 818 CZ ARG A 138 11.274 -4.786 4.399 1.00 0.00 C ATOM 819 NH1 ARG A 138 11.746 -3.669 3.864 1.00 0.00 N ATOM 820 NH2 ARG A 138 11.879 -5.317 5.454 1.00 0.00 N ATOM 0 H ARG A 138 8.161 -5.479 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 138 10.677 -4.322 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.829 -4.043 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.608 -5.774 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.847 -5.921 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.986 -4.177 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.231 -3.808 2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.529 -5.392 2.625 1.00 0.00 H new ATOM 0 HE ARG A 138 9.868 -6.235 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.286 -3.258 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.570 -3.220 4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.521 -6.178 5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 138 12.702 -4.864 5.851 1.00 0.00 H new ATOM 834 N LYS A 139 10.528 -7.598 -1.188 1.00 0.00 N ATOM 835 CA LYS A 139 11.336 -8.809 -1.091 1.00 0.00 C ATOM 836 C LYS A 139 11.980 -9.148 -2.430 1.00 0.00 C ATOM 837 O LYS A 139 13.187 -9.379 -2.509 1.00 0.00 O ATOM 838 CB LYS A 139 10.473 -9.978 -0.612 1.00 0.00 C ATOM 839 CG LYS A 139 9.717 -9.684 0.674 1.00 0.00 C ATOM 840 CD LYS A 139 8.802 -10.834 1.062 1.00 0.00 C ATOM 841 CE LYS A 139 9.593 -12.086 1.407 1.00 0.00 C ATOM 842 NZ LYS A 139 8.703 -13.231 1.746 1.00 0.00 N ATOM 0 H LYS A 139 9.548 -7.762 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 139 12.132 -8.630 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 139 9.759 -10.237 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 139 11.108 -10.850 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.427 -9.496 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 139 9.128 -8.775 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 139 8.191 -10.542 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 139 8.119 -11.049 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.228 -12.358 0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.253 -11.878 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 9.281 -14.064 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 8.114 -12.982 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 8.091 -13.447 0.934 1.00 0.00 H new ATOM 856 N GLN A 140 11.169 -9.179 -3.482 1.00 0.00 N ATOM 857 CA GLN A 140 11.662 -9.491 -4.819 1.00 0.00 C ATOM 858 C GLN A 140 12.837 -8.592 -5.191 1.00 0.00 C ATOM 859 O GLN A 140 13.708 -8.982 -5.969 1.00 0.00 O ATOM 860 CB GLN A 140 10.542 -9.339 -5.848 1.00 0.00 C ATOM 861 CG GLN A 140 10.997 -9.571 -7.280 1.00 0.00 C ATOM 862 CD GLN A 140 9.871 -9.411 -8.284 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.191 -10.377 -8.630 1.00 0.00 O ATOM 864 NE2 GLN A 140 9.666 -8.188 -8.757 1.00 0.00 N ATOM 0 H GLN A 140 10.167 -8.992 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 140 12.006 -10.525 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 140 9.744 -10.042 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.119 -8.338 -5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 140 11.796 -8.870 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 140 11.416 -10.574 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 140 10.253 -7.415 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.921 -8.021 -9.434 1.00 0.00 H new ATOM 873 N GLN A 141 12.856 -7.386 -4.631 1.00 0.00 N ATOM 874 CA GLN A 141 13.927 -6.434 -4.908 1.00 0.00 C ATOM 875 C GLN A 141 14.882 -6.310 -3.723 1.00 0.00 C ATOM 876 O GLN A 141 15.661 -5.359 -3.644 1.00 0.00 O ATOM 877 CB GLN A 141 13.345 -5.060 -5.245 1.00 0.00 C ATOM 878 CG GLN A 141 12.511 -5.045 -6.515 1.00 0.00 C ATOM 879 CD GLN A 141 12.012 -3.656 -6.865 1.00 0.00 C ATOM 880 OE1 GLN A 141 12.668 -2.914 -7.594 1.00 0.00 O ATOM 881 NE2 GLN A 141 10.848 -3.297 -6.338 1.00 0.00 N ATOM 0 H GLN A 141 12.144 -7.045 -3.985 1.00 0.00 H new ATOM 0 HA GLN A 141 14.488 -6.809 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.729 -4.722 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 141 14.161 -4.345 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 141 13.106 -5.433 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 141 11.659 -5.714 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 141 10.338 -3.946 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.464 -2.373 -6.533 1.00 0.00 H new ATOM 890 N GLU A 142 14.824 -7.270 -2.803 1.00 0.00 N ATOM 891 CA GLU A 142 15.690 -7.252 -1.630 1.00 0.00 C ATOM 892 C GLU A 142 16.071 -8.671 -1.220 1.00 0.00 C ATOM 893 O GLU A 142 15.342 -9.265 -0.399 1.00 0.00 O ATOM 894 CB GLU A 142 14.995 -6.536 -0.469 1.00 0.00 C ATOM 895 CG GLU A 142 15.926 -6.172 0.677 1.00 0.00 C ATOM 896 CD GLU A 142 16.527 -7.387 1.356 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.894 -7.917 2.293 1.00 0.00 O ATOM 898 OE2 GLU A 142 17.631 -7.809 0.950 1.00 0.00 O ATOM 899 OXT GLU A 142 17.097 -9.176 -1.724 1.00 0.00 O ATOM 0 H GLU A 142 14.189 -8.067 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 142 16.601 -6.710 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 142 14.525 -5.627 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.197 -7.173 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 142 16.729 -5.539 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.376 -5.585 1.413 1.00 0.00 H new