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 110 TYR OH : rot -106:sc= 0.496 USER MOD Set 1.2: A 141 GLN : amide:sc= -0.143 X(o=0.35,f=0.52) USER MOD Set 2.1: A 108 CYS SG : rot -164:sc= 1.93 USER MOD Set 2.2: A 111 CYS SG : rot 180:sc= 0.646 USER MOD Set 2.3: A 134 CYS SG : rot -83:sc= 0.778 USER MOD Set 2.4: A 137 CYS SG : rot 155:sc= 0.208 USER MOD Set 3.1: A 92 CYS SG : rot 148:sc= 1.64 USER MOD Set 3.2: A 95 CYS SG : rot -16:sc= 1.01 USER MOD Set 3.3: A 116 CYS SG : rot -132:sc= 0.875 USER MOD Set 3.4: A 119 CYS SG : rot 89:sc= -1.89 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0159 (180deg=-0.168) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= -0.0329 (180deg=-0.198) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -0.702 F(o=-4.1!,f=-0.7) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.169 F(o=-2.5,f=-0.17) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 112 GLN : amide:sc= 0.0989 K(o=0.099,f=-0.66) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -162:sc= -0.0918 (180deg=-0.451) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -3.83! C(o=-3.8!,f=-13!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.402 1.066 0.950 1.00 0.00 N ATOM 102 CA PRO A 90 -11.033 0.769 0.548 1.00 0.00 C ATOM 103 C PRO A 90 -10.633 -0.642 0.954 1.00 0.00 C ATOM 104 O PRO A 90 -10.879 -1.057 2.086 1.00 0.00 O ATOM 105 CB PRO A 90 -10.195 1.803 1.312 1.00 0.00 C ATOM 106 CG PRO A 90 -11.142 2.538 2.216 1.00 0.00 C ATOM 107 CD PRO A 90 -12.429 1.760 2.237 1.00 0.00 C ATOM 0 HA PRO A 90 -10.898 0.821 -0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.409 1.315 1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.705 2.491 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.727 2.623 3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.311 3.552 1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.467 1.062 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.297 2.414 2.327 1.00 0.00 H new ATOM 115 N THR A 91 -10.001 -1.374 0.043 1.00 0.00 N ATOM 116 CA THR A 91 -9.607 -2.747 0.331 1.00 0.00 C ATOM 117 C THR A 91 -8.198 -3.069 -0.153 1.00 0.00 C ATOM 118 O THR A 91 -7.688 -2.461 -1.095 1.00 0.00 O ATOM 119 CB THR A 91 -10.588 -3.753 -0.296 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.942 -3.339 -1.620 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.840 -3.886 0.558 1.00 0.00 C ATOM 0 H THR A 91 -9.753 -1.044 -0.890 1.00 0.00 H new ATOM 0 HA THR A 91 -9.626 -2.838 1.417 1.00 0.00 H new ATOM 0 HB THR A 91 -10.097 -4.725 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.565 -3.987 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.520 -4.602 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.566 -4.235 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.332 -2.916 0.636 1.00 0.00 H new ATOM 129 N CYS A 92 -7.585 -4.040 0.514 1.00 0.00 N ATOM 130 CA CYS A 92 -6.244 -4.495 0.185 1.00 0.00 C ATOM 131 C CYS A 92 -6.259 -5.335 -1.092 1.00 0.00 C ATOM 132 O CYS A 92 -7.128 -6.188 -1.271 1.00 0.00 O ATOM 133 CB CYS A 92 -5.702 -5.312 1.358 1.00 0.00 C ATOM 134 SG CYS A 92 -4.100 -6.090 1.075 1.00 0.00 S ATOM 0 H CYS A 92 -8.007 -4.534 1.300 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.599 -3.634 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.623 -4.661 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.426 -6.088 1.605 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.445 -6.154 2.196 1.00 0.00 H new ATOM 139 N GLY A 93 -5.281 -5.102 -1.968 1.00 0.00 N ATOM 140 CA GLY A 93 -5.211 -5.834 -3.225 1.00 0.00 C ATOM 141 C GLY A 93 -4.497 -7.172 -3.111 1.00 0.00 C ATOM 142 O GLY A 93 -4.028 -7.718 -4.110 1.00 0.00 O ATOM 0 H GLY A 93 -4.536 -4.419 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.222 -6.002 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.698 -5.220 -3.965 1.00 0.00 H new ATOM 146 N ILE A 94 -4.412 -7.701 -1.896 1.00 0.00 N ATOM 147 CA ILE A 94 -3.760 -8.978 -1.653 1.00 0.00 C ATOM 148 C ILE A 94 -4.688 -9.914 -0.890 1.00 0.00 C ATOM 149 O ILE A 94 -5.172 -10.906 -1.437 1.00 0.00 O ATOM 150 CB ILE A 94 -2.451 -8.789 -0.859 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.476 -7.932 -1.656 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.815 -10.130 -0.528 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.694 -6.446 -1.493 1.00 0.00 C ATOM 0 H ILE A 94 -4.791 -7.259 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.521 -9.418 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.690 -8.285 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.459 -8.176 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.561 -8.188 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.894 -9.968 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.505 -10.722 0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.589 -10.663 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.962 -5.903 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.699 -6.187 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.579 -6.174 -0.444 1.00 0.00 H new ATOM 165 N CYS A 95 -4.934 -9.593 0.376 1.00 0.00 N ATOM 166 CA CYS A 95 -5.818 -10.400 1.208 1.00 0.00 C ATOM 167 C CYS A 95 -7.272 -9.934 1.090 1.00 0.00 C ATOM 168 O CYS A 95 -8.191 -10.627 1.527 1.00 0.00 O ATOM 169 CB CYS A 95 -5.362 -10.375 2.673 1.00 0.00 C ATOM 170 SG CYS A 95 -4.972 -8.716 3.319 1.00 0.00 S ATOM 0 H CYS A 95 -4.534 -8.781 0.847 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.764 -11.427 0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.144 -10.816 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.480 -11.007 2.776 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.828 -7.887 2.328 1.00 0.00 H new ATOM 175 N HIS A 96 -7.473 -8.754 0.497 1.00 0.00 N ATOM 176 CA HIS A 96 -8.813 -8.208 0.308 1.00 0.00 C ATOM 177 C HIS A 96 -9.608 -8.218 1.610 1.00 0.00 C ATOM 178 O HIS A 96 -10.828 -8.378 1.599 1.00 0.00 O ATOM 179 CB HIS A 96 -9.557 -9.006 -0.764 1.00 0.00 C ATOM 180 CG HIS A 96 -8.846 -9.040 -2.083 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.042 -10.087 -2.481 1.00 0.00 N ATOM 182 CD2 HIS A 96 -8.824 -8.144 -3.100 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.556 -9.836 -3.683 1.00 0.00 C ATOM 184 NE2 HIS A 96 -8.015 -8.664 -4.080 1.00 0.00 N ATOM 0 H HIS A 96 -6.723 -8.161 0.141 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.711 -7.172 -0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.701 -10.027 -0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.548 -8.574 -0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.345 -7.199 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -6.896 -10.480 -4.245 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.803 -8.216 -4.972 1.00 0.00 H new ATOM 193 N LYS A 97 -8.912 -8.036 2.727 1.00 0.00 N ATOM 194 CA LYS A 97 -9.556 -8.028 4.036 1.00 0.00 C ATOM 195 C LYS A 97 -9.396 -6.673 4.714 1.00 0.00 C ATOM 196 O LYS A 97 -10.379 -5.989 5.003 1.00 0.00 O ATOM 197 CB LYS A 97 -8.963 -9.126 4.920 1.00 0.00 C ATOM 198 CG LYS A 97 -9.560 -9.172 6.318 1.00 0.00 C ATOM 199 CD LYS A 97 -8.836 -10.177 7.200 1.00 0.00 C ATOM 200 CE LYS A 97 -8.904 -11.581 6.618 1.00 0.00 C ATOM 201 NZ LYS A 97 -10.307 -12.054 6.472 1.00 0.00 N ATOM 0 H LYS A 97 -7.903 -7.892 2.753 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.620 -8.217 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.115 -10.091 4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.886 -8.975 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.505 -8.182 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.616 -9.435 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.794 -9.879 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.278 -10.173 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.413 -11.595 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.355 -12.268 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.310 -13.070 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.823 -11.891 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.771 -11.532 5.702 1.00 0.00 H new ATOM 215 N THR A 98 -8.150 -6.289 4.966 1.00 0.00 N ATOM 216 CA THR A 98 -7.852 -5.020 5.613 1.00 0.00 C ATOM 217 C THR A 98 -8.321 -3.841 4.763 1.00 0.00 C ATOM 218 O THR A 98 -7.876 -3.664 3.629 1.00 0.00 O ATOM 219 CB THR A 98 -6.340 -4.888 5.887 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.910 -5.930 6.770 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.006 -3.535 6.496 1.00 0.00 C ATOM 0 H THR A 98 -7.327 -6.843 4.730 1.00 0.00 H new ATOM 0 HA THR A 98 -8.391 -5.003 6.560 1.00 0.00 H new ATOM 0 HB THR A 98 -5.817 -4.975 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.949 -5.841 6.938 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.933 -3.473 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.304 -2.743 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.541 -3.418 7.439 1.00 0.00 H new ATOM 229 N LYS A 99 -9.224 -3.037 5.321 1.00 0.00 N ATOM 230 CA LYS A 99 -9.747 -1.872 4.622 1.00 0.00 C ATOM 231 C LYS A 99 -8.964 -0.624 5.006 1.00 0.00 C ATOM 232 O LYS A 99 -8.784 -0.330 6.188 1.00 0.00 O ATOM 233 CB LYS A 99 -11.230 -1.678 4.945 1.00 0.00 C ATOM 234 CG LYS A 99 -12.110 -2.817 4.461 1.00 0.00 C ATOM 235 CD LYS A 99 -13.542 -2.664 4.950 1.00 0.00 C ATOM 236 CE LYS A 99 -13.613 -2.605 6.468 1.00 0.00 C ATOM 237 NZ LYS A 99 -12.968 -3.787 7.103 1.00 0.00 N ATOM 0 H LYS A 99 -9.607 -3.174 6.256 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.638 -2.038 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.348 -1.572 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.573 -0.747 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.098 -2.849 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.704 -3.766 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.975 -1.757 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.141 -3.500 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.127 -1.695 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.656 -2.550 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.184 -3.796 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.331 -4.658 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.938 -3.735 6.968 1.00 0.00 H new ATOM 251 N PHE A 100 -8.500 0.108 4.001 1.00 0.00 N ATOM 252 CA PHE A 100 -7.723 1.320 4.239 1.00 0.00 C ATOM 253 C PHE A 100 -8.536 2.353 5.012 1.00 0.00 C ATOM 254 O PHE A 100 -9.663 2.088 5.431 1.00 0.00 O ATOM 255 CB PHE A 100 -7.245 1.928 2.920 1.00 0.00 C ATOM 256 CG PHE A 100 -6.737 0.919 1.932 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.799 -0.028 2.310 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.190 0.924 0.623 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.321 -0.950 1.399 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.718 0.003 -0.292 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.781 -0.934 0.096 1.00 0.00 C ATOM 0 H PHE A 100 -8.647 -0.114 3.016 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.856 1.039 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.068 2.482 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.453 2.647 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.438 -0.046 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.921 1.657 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.589 -1.682 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.081 0.016 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.408 -1.653 -0.618 1.00 0.00 H new ATOM 311 N GLY A 105 -5.086 3.257 1.374 1.00 0.00 N ATOM 312 CA GLY A 105 -4.131 2.876 2.399 1.00 0.00 C ATOM 313 C GLY A 105 -2.697 2.968 1.922 1.00 0.00 C ATOM 314 O GLY A 105 -2.242 4.029 1.497 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.262 3.519 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.338 1.856 2.722 1.00 0.00 H new ATOM 318 N HIS A 106 -1.985 1.851 1.994 1.00 0.00 N ATOM 319 CA HIS A 106 -0.592 1.802 1.565 1.00 0.00 C ATOM 320 C HIS A 106 -0.500 1.284 0.135 1.00 0.00 C ATOM 321 O HIS A 106 -0.937 0.172 -0.163 1.00 0.00 O ATOM 322 CB HIS A 106 0.222 0.909 2.502 1.00 0.00 C ATOM 323 CG HIS A 106 -0.011 1.202 3.953 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.493 2.171 4.754 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 -0.852 0.451 4.746 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 -0.051 1.989 6.002 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 -0.858 0.947 5.971 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.349 0.965 2.346 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.181 2.811 1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.026 -0.134 2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.282 1.032 2.280 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.153 2.899 4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.418 -0.408 4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.150 2.601 6.869 1.00 0.00 H new ATOM 336 N ASN A 107 0.072 2.095 -0.749 1.00 0.00 N ATOM 337 CA ASN A 107 0.201 1.718 -2.151 1.00 0.00 C ATOM 338 C ASN A 107 1.661 1.497 -2.531 1.00 0.00 C ATOM 339 O ASN A 107 2.534 2.289 -2.177 1.00 0.00 O ATOM 340 CB ASN A 107 -0.414 2.799 -3.043 1.00 0.00 C ATOM 341 CG ASN A 107 -1.755 3.302 -2.528 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.488 2.451 -1.812 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.128 4.450 -2.771 1.00 0.00 N flip ATOM 0 H ASN A 107 0.452 3.014 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.334 0.780 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.278 3.638 -3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.543 2.402 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.538 5.072 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.027 4.779 -2.420 1.00 0.00 H new ATOM 350 N CYS A 108 1.916 0.412 -3.259 1.00 0.00 N ATOM 351 CA CYS A 108 3.268 0.081 -3.690 1.00 0.00 C ATOM 352 C CYS A 108 3.883 1.228 -4.481 1.00 0.00 C ATOM 353 O CYS A 108 3.326 1.673 -5.485 1.00 0.00 O ATOM 354 CB CYS A 108 3.265 -1.186 -4.547 1.00 0.00 C ATOM 355 SG CYS A 108 4.917 -1.840 -4.890 1.00 0.00 S ATOM 0 H CYS A 108 1.203 -0.251 -3.562 1.00 0.00 H new ATOM 0 HA CYS A 108 3.868 -0.092 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.678 -1.953 -4.042 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.765 -0.973 -5.492 1.00 0.00 H new ATOM 0 HG CYS A 108 4.851 -2.696 -5.867 1.00 0.00 H new ATOM 360 N SER A 109 5.037 1.698 -4.025 1.00 0.00 N ATOM 361 CA SER A 109 5.736 2.789 -4.688 1.00 0.00 C ATOM 362 C SER A 109 6.060 2.434 -6.138 1.00 0.00 C ATOM 363 O SER A 109 6.339 3.315 -6.951 1.00 0.00 O ATOM 364 CB SER A 109 7.025 3.121 -3.935 1.00 0.00 C ATOM 365 OG SER A 109 7.989 2.096 -4.098 1.00 0.00 O ATOM 0 H SER A 109 5.509 1.339 -3.196 1.00 0.00 H new ATOM 0 HA SER A 109 5.081 3.660 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.429 4.066 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.807 3.254 -2.875 1.00 0.00 H new ATOM 0 HG SER A 109 8.804 2.333 -3.609 1.00 0.00 H new ATOM 371 N TYR A 110 6.026 1.142 -6.459 1.00 0.00 N ATOM 372 CA TYR A 110 6.325 0.688 -7.811 1.00 0.00 C ATOM 373 C TYR A 110 5.061 0.220 -8.536 1.00 0.00 C ATOM 374 O TYR A 110 4.560 0.903 -9.429 1.00 0.00 O ATOM 375 CB TYR A 110 7.356 -0.443 -7.769 1.00 0.00 C ATOM 376 CG TYR A 110 8.636 -0.070 -7.052 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.563 0.778 -7.644 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.915 -0.565 -5.782 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.733 1.122 -6.993 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.083 -0.224 -5.126 1.00 0.00 C ATOM 381 CZ TYR A 110 10.988 0.620 -5.735 1.00 0.00 C ATOM 382 OH TYR A 110 12.152 0.961 -5.084 1.00 0.00 O ATOM 0 H TYR A 110 5.795 0.396 -5.803 1.00 0.00 H new ATOM 0 HA TYR A 110 6.737 1.532 -8.365 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.913 -1.309 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.595 -0.743 -8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.367 1.175 -8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.208 -1.226 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.444 1.781 -7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.286 -0.617 -4.141 1.00 0.00 H new ATOM 0 HH TYR A 110 12.765 0.196 -5.087 1.00 0.00 H new ATOM 392 N CYS A 111 4.560 -0.949 -8.152 1.00 0.00 N ATOM 393 CA CYS A 111 3.361 -1.516 -8.766 1.00 0.00 C ATOM 394 C CYS A 111 2.163 -0.582 -8.623 1.00 0.00 C ATOM 395 O CYS A 111 1.229 -0.633 -9.422 1.00 0.00 O ATOM 396 CB CYS A 111 3.021 -2.865 -8.126 1.00 0.00 C ATOM 397 SG CYS A 111 4.453 -3.958 -7.860 1.00 0.00 S ATOM 0 H CYS A 111 4.966 -1.526 -7.415 1.00 0.00 H new ATOM 0 HA CYS A 111 3.574 -1.652 -9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.534 -2.685 -7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.299 -3.381 -8.759 1.00 0.00 H new ATOM 0 HG CYS A 111 4.056 -5.068 -7.313 1.00 0.00 H new ATOM 402 N GLN A 112 2.195 0.262 -7.596 1.00 0.00 N ATOM 403 CA GLN A 112 1.104 1.196 -7.330 1.00 0.00 C ATOM 404 C GLN A 112 -0.120 0.471 -6.762 1.00 0.00 C ATOM 405 O GLN A 112 -1.162 1.088 -6.541 1.00 0.00 O ATOM 406 CB GLN A 112 0.712 1.952 -8.603 1.00 0.00 C ATOM 407 CG GLN A 112 1.891 2.565 -9.340 1.00 0.00 C ATOM 408 CD GLN A 112 2.650 3.566 -8.492 1.00 0.00 C ATOM 409 OE1 GLN A 112 2.075 4.226 -7.626 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.950 3.686 -8.738 1.00 0.00 N ATOM 0 H GLN A 112 2.967 0.319 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 112 1.460 1.911 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.191 1.269 -9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.008 2.742 -8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.570 1.773 -9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.534 3.057 -10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.386 3.119 -9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.512 4.345 -8.200 1.00 0.00 H new ATOM 419 N THR A 113 0.006 -0.837 -6.527 1.00 0.00 N ATOM 420 CA THR A 113 -1.095 -1.625 -5.993 1.00 0.00 C ATOM 421 C THR A 113 -1.433 -1.203 -4.570 1.00 0.00 C ATOM 422 O THR A 113 -0.549 -0.853 -3.787 1.00 0.00 O ATOM 423 CB THR A 113 -0.764 -3.129 -6.003 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.389 -3.541 -7.323 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.957 -3.950 -5.532 1.00 0.00 C ATOM 0 H THR A 113 0.860 -1.368 -6.699 1.00 0.00 H new ATOM 0 HA THR A 113 -1.955 -1.444 -6.637 1.00 0.00 H new ATOM 0 HB THR A 113 0.068 -3.298 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.179 -4.498 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.699 -5.009 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.223 -3.656 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.805 -3.773 -6.194 1.00 0.00 H new ATOM 433 N LYS A 114 -2.718 -1.237 -4.239 1.00 0.00 N ATOM 434 CA LYS A 114 -3.170 -0.861 -2.908 1.00 0.00 C ATOM 435 C LYS A 114 -3.101 -2.051 -1.959 1.00 0.00 C ATOM 436 O LYS A 114 -3.849 -3.018 -2.106 1.00 0.00 O ATOM 437 CB LYS A 114 -4.597 -0.318 -2.967 1.00 0.00 C ATOM 438 CG LYS A 114 -4.767 0.835 -3.943 1.00 0.00 C ATOM 439 CD LYS A 114 -6.232 1.177 -4.156 1.00 0.00 C ATOM 440 CE LYS A 114 -6.960 0.067 -4.897 1.00 0.00 C ATOM 441 NZ LYS A 114 -6.359 -0.195 -6.235 1.00 0.00 N ATOM 0 H LYS A 114 -3.464 -1.521 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.510 -0.080 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.273 -1.125 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.893 0.012 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.239 1.711 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.311 0.574 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.711 1.348 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.312 2.106 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.932 -0.846 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.009 0.338 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.037 -0.719 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.128 0.709 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.492 -0.758 -6.122 1.00 0.00 H new ATOM 455 N PHE A 115 -2.202 -1.974 -0.986 1.00 0.00 N ATOM 456 CA PHE A 115 -2.037 -3.050 -0.018 1.00 0.00 C ATOM 457 C PHE A 115 -2.152 -2.537 1.412 1.00 0.00 C ATOM 458 O PHE A 115 -2.043 -1.338 1.670 1.00 0.00 O ATOM 459 CB PHE A 115 -0.695 -3.762 -0.219 1.00 0.00 C ATOM 460 CG PHE A 115 0.504 -2.857 -0.179 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.840 -2.169 0.976 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.306 -2.710 -1.299 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.954 -1.350 1.011 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.418 -1.892 -1.270 1.00 0.00 C ATOM 465 CZ PHE A 115 2.743 -1.213 -0.115 1.00 0.00 C ATOM 0 H PHE A 115 -1.578 -1.180 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.842 -3.766 -0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.584 -4.525 0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.712 -4.278 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.226 -2.273 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.058 -3.242 -2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.207 -0.819 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.033 -1.784 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.614 -0.574 -0.090 1.00 0.00 H new ATOM 475 N CYS A 116 -2.372 -3.465 2.338 1.00 0.00 N ATOM 476 CA CYS A 116 -2.518 -3.134 3.748 1.00 0.00 C ATOM 477 C CYS A 116 -1.162 -3.102 4.442 1.00 0.00 C ATOM 478 O CYS A 116 -0.148 -3.493 3.862 1.00 0.00 O ATOM 479 CB CYS A 116 -3.438 -4.152 4.428 1.00 0.00 C ATOM 480 SG CYS A 116 -2.787 -5.855 4.438 1.00 0.00 S ATOM 0 H CYS A 116 -2.453 -4.461 2.132 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.962 -2.142 3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.614 -3.836 5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.404 -4.147 3.923 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.712 -6.676 4.038 1.00 0.00 H new ATOM 485 N ALA A 117 -1.147 -2.639 5.687 1.00 0.00 N ATOM 486 CA ALA A 117 0.090 -2.556 6.456 1.00 0.00 C ATOM 487 C ALA A 117 0.747 -3.925 6.617 1.00 0.00 C ATOM 488 O ALA A 117 1.926 -4.018 6.959 1.00 0.00 O ATOM 489 CB ALA A 117 -0.180 -1.939 7.820 1.00 0.00 C ATOM 0 H ALA A 117 -1.976 -2.316 6.185 1.00 0.00 H new ATOM 0 HA ALA A 117 0.782 -1.919 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.751 -1.882 8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.588 -0.936 7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.897 -2.555 8.363 1.00 0.00 H new ATOM 495 N ARG A 118 -0.015 -4.989 6.370 1.00 0.00 N ATOM 496 CA ARG A 118 0.508 -6.346 6.499 1.00 0.00 C ATOM 497 C ARG A 118 1.015 -6.884 5.163 1.00 0.00 C ATOM 498 O ARG A 118 1.767 -7.857 5.127 1.00 0.00 O ATOM 499 CB ARG A 118 -0.570 -7.275 7.059 1.00 0.00 C ATOM 500 CG ARG A 118 -1.095 -6.846 8.420 1.00 0.00 C ATOM 501 CD ARG A 118 0.011 -6.827 9.462 1.00 0.00 C ATOM 502 NE ARG A 118 0.585 -8.153 9.675 1.00 0.00 N ATOM 503 CZ ARG A 118 1.425 -8.439 10.665 1.00 0.00 C ATOM 504 NH1 ARG A 118 1.791 -7.496 11.521 1.00 0.00 N ATOM 505 NH2 ARG A 118 1.901 -9.670 10.797 1.00 0.00 N ATOM 0 H ARG A 118 -0.992 -4.938 6.081 1.00 0.00 H new ATOM 0 HA ARG A 118 1.352 -6.311 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.401 -7.319 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.164 -8.284 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.541 -5.854 8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.884 -7.527 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.795 -6.139 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.385 -6.448 10.404 1.00 0.00 H new ATOM 0 HE ARG A 118 0.328 -8.900 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.428 -6.548 11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.436 -7.718 12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.623 -10.398 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 118 2.545 -9.889 11.557 1.00 0.00 H new ATOM 519 N CYS A 119 0.605 -6.252 4.067 1.00 0.00 N ATOM 520 CA CYS A 119 1.031 -6.684 2.741 1.00 0.00 C ATOM 521 C CYS A 119 2.010 -5.686 2.131 1.00 0.00 C ATOM 522 O CYS A 119 2.083 -5.534 0.912 1.00 0.00 O ATOM 523 CB CYS A 119 -0.179 -6.857 1.826 1.00 0.00 C ATOM 524 SG CYS A 119 -1.202 -8.314 2.215 1.00 0.00 S ATOM 0 H CYS A 119 -0.018 -5.444 4.071 1.00 0.00 H new ATOM 0 HA CYS A 119 1.538 -7.643 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.800 -5.963 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.166 -6.933 0.795 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.108 -7.988 3.089 1.00 0.00 H new ATOM 529 N GLY A 120 2.760 -5.011 2.992 1.00 0.00 N ATOM 530 CA GLY A 120 3.730 -4.034 2.532 1.00 0.00 C ATOM 531 C GLY A 120 4.476 -3.376 3.678 1.00 0.00 C ATOM 532 O GLY A 120 4.080 -3.503 4.837 1.00 0.00 O ATOM 0 H GLY A 120 2.714 -5.123 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.445 -4.520 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.221 -3.269 1.946 1.00 0.00 H new ATOM 536 N GLY A 121 5.557 -2.672 3.356 1.00 0.00 N ATOM 537 CA GLY A 121 6.338 -2.010 4.384 1.00 0.00 C ATOM 538 C GLY A 121 6.686 -0.577 4.026 1.00 0.00 C ATOM 539 O GLY A 121 6.458 -0.138 2.899 1.00 0.00 O ATOM 0 H GLY A 121 5.905 -2.549 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.781 -2.021 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.257 -2.571 4.553 1.00 0.00 H new ATOM 543 N ARG A 122 7.240 0.150 4.991 1.00 0.00 N ATOM 544 CA ARG A 122 7.625 1.540 4.779 1.00 0.00 C ATOM 545 C ARG A 122 9.046 1.632 4.233 1.00 0.00 C ATOM 546 O ARG A 122 9.962 0.989 4.747 1.00 0.00 O ATOM 547 CB ARG A 122 7.520 2.326 6.087 1.00 0.00 C ATOM 548 CG ARG A 122 7.912 3.788 5.948 1.00 0.00 C ATOM 549 CD ARG A 122 7.937 4.492 7.297 1.00 0.00 C ATOM 550 NE ARG A 122 8.950 3.932 8.187 1.00 0.00 N ATOM 551 CZ ARG A 122 9.308 4.489 9.340 1.00 0.00 C ATOM 552 NH1 ARG A 122 8.733 5.615 9.743 1.00 0.00 N ATOM 553 NH2 ARG A 122 10.242 3.921 10.092 1.00 0.00 N ATOM 0 H ARG A 122 7.432 -0.202 5.929 1.00 0.00 H new ATOM 0 HA ARG A 122 6.943 1.972 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.496 2.266 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.158 1.857 6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.895 3.859 5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.208 4.293 5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.132 5.554 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.957 4.411 7.767 1.00 0.00 H new ATOM 0 HE ARG A 122 9.409 3.065 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.015 6.055 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.009 6.040 10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.687 3.056 9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.515 4.350 10.976 1.00 0.00 H new ATOM 700 N MET A 131 7.327 6.427 0.953 1.00 0.00 N ATOM 701 CA MET A 131 6.701 5.527 -0.007 1.00 0.00 C ATOM 702 C MET A 131 6.656 4.105 0.533 1.00 0.00 C ATOM 703 O MET A 131 7.593 3.642 1.181 1.00 0.00 O ATOM 704 CB MET A 131 7.453 5.554 -1.335 1.00 0.00 C ATOM 705 CG MET A 131 7.635 6.951 -1.895 1.00 0.00 C ATOM 706 SD MET A 131 8.175 6.946 -3.615 1.00 0.00 S ATOM 707 CE MET A 131 8.223 8.702 -3.960 1.00 0.00 C ATOM 0 HA MET A 131 5.679 5.869 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.432 5.095 -1.199 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.914 4.946 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.694 7.495 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.366 7.488 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 131 8.541 8.862 -4.990 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.230 9.128 -3.816 1.00 0.00 H new ATOM 0 HE3 MET A 131 8.927 9.187 -3.284 1.00 0.00 H new ATOM 717 N TRP A 132 5.554 3.422 0.259 1.00 0.00 N ATOM 718 CA TRP A 132 5.369 2.053 0.721 1.00 0.00 C ATOM 719 C TRP A 132 5.660 1.050 -0.389 1.00 0.00 C ATOM 720 O TRP A 132 5.338 1.283 -1.553 1.00 0.00 O ATOM 721 CB TRP A 132 3.948 1.865 1.251 1.00 0.00 C ATOM 722 CG TRP A 132 3.782 2.342 2.659 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.761 3.637 3.094 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.620 1.523 3.821 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.597 3.672 4.458 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.507 2.386 4.927 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.560 0.144 4.030 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.335 1.911 6.225 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.390 -0.327 5.318 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.280 0.555 6.402 1.00 0.00 C ATOM 0 H TRP A 132 4.773 3.794 -0.282 1.00 0.00 H new ATOM 0 HA TRP A 132 6.077 1.869 1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.252 2.402 0.607 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.683 0.809 1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.859 4.505 2.459 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.550 4.516 5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.645 -0.542 3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.248 2.588 7.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.341 -1.392 5.492 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.149 0.156 7.397 1.00 0.00 H new ATOM 741 N VAL A 133 6.270 -0.071 -0.017 1.00 0.00 N ATOM 742 CA VAL A 133 6.613 -1.115 -0.976 1.00 0.00 C ATOM 743 C VAL A 133 6.025 -2.459 -0.553 1.00 0.00 C ATOM 744 O VAL A 133 6.245 -2.916 0.568 1.00 0.00 O ATOM 745 CB VAL A 133 8.140 -1.249 -1.121 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.498 -2.155 -2.287 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.783 0.110 -1.278 1.00 0.00 C ATOM 0 H VAL A 133 6.538 -0.280 0.945 1.00 0.00 H new ATOM 0 HA VAL A 133 6.188 -0.827 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 133 8.528 -1.706 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.582 -2.233 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.074 -3.146 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.095 -1.737 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.862 -0.007 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.387 0.600 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.565 0.719 -0.401 1.00 0.00 H new ATOM 757 N CYS A 134 5.276 -3.089 -1.456 1.00 0.00 N ATOM 758 CA CYS A 134 4.649 -4.377 -1.166 1.00 0.00 C ATOM 759 C CYS A 134 5.688 -5.440 -0.830 1.00 0.00 C ATOM 760 O CYS A 134 6.845 -5.354 -1.243 1.00 0.00 O ATOM 761 CB CYS A 134 3.795 -4.842 -2.349 1.00 0.00 C ATOM 762 SG CYS A 134 4.743 -5.251 -3.853 1.00 0.00 S ATOM 0 H CYS A 134 5.089 -2.730 -2.392 1.00 0.00 H new ATOM 0 HA CYS A 134 4.008 -4.238 -0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.224 -5.719 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.075 -4.060 -2.590 1.00 0.00 H new ATOM 0 HG CYS A 134 4.995 -4.162 -4.517 1.00 0.00 H new ATOM 767 N ASN A 135 5.253 -6.445 -0.076 1.00 0.00 N ATOM 768 CA ASN A 135 6.118 -7.547 0.340 1.00 0.00 C ATOM 769 C ASN A 135 6.799 -8.220 -0.851 1.00 0.00 C ATOM 770 O ASN A 135 7.806 -8.910 -0.689 1.00 0.00 O ATOM 771 CB ASN A 135 5.312 -8.582 1.123 1.00 0.00 C ATOM 772 CG ASN A 135 4.719 -8.010 2.395 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.460 -6.809 2.487 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.497 -8.867 3.384 1.00 0.00 N ATOM 0 H ASN A 135 4.294 -6.520 0.264 1.00 0.00 H new ATOM 0 HA ASN A 135 6.896 -7.127 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.510 -8.967 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.955 -9.426 1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 135 4.097 -8.539 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.727 -9.854 3.265 1.00 0.00 H new ATOM 781 N LEU A 136 6.252 -8.018 -2.046 1.00 0.00 N ATOM 782 CA LEU A 136 6.815 -8.617 -3.251 1.00 0.00 C ATOM 783 C LEU A 136 7.980 -7.780 -3.763 1.00 0.00 C ATOM 784 O LEU A 136 8.943 -8.307 -4.320 1.00 0.00 O ATOM 785 CB LEU A 136 5.740 -8.731 -4.333 1.00 0.00 C ATOM 786 CG LEU A 136 4.361 -9.154 -3.826 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.325 -9.024 -4.926 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.404 -10.578 -3.295 1.00 0.00 C ATOM 0 H LEU A 136 5.423 -7.446 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 136 7.180 -9.614 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.647 -7.768 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.073 -9.450 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 136 4.076 -8.491 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.350 -9.330 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.276 -7.987 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.603 -9.662 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.414 -10.863 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.711 -11.255 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.117 -10.638 -2.473 1.00 0.00 H new ATOM 800 N CYS A 137 7.880 -6.472 -3.569 1.00 0.00 N ATOM 801 CA CYS A 137 8.924 -5.550 -3.995 1.00 0.00 C ATOM 802 C CYS A 137 9.951 -5.363 -2.884 1.00 0.00 C ATOM 803 O CYS A 137 11.146 -5.218 -3.142 1.00 0.00 O ATOM 804 CB CYS A 137 8.314 -4.202 -4.380 1.00 0.00 C ATOM 805 SG CYS A 137 7.573 -4.166 -6.042 1.00 0.00 S ATOM 0 H CYS A 137 7.083 -6.024 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 137 9.425 -5.971 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.550 -3.939 -3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.087 -3.436 -4.323 1.00 0.00 H new ATOM 0 HG CYS A 137 6.665 -3.237 -6.092 1.00 0.00 H new ATOM 810 N ARG A 138 9.470 -5.367 -1.647 1.00 0.00 N ATOM 811 CA ARG A 138 10.333 -5.201 -0.484 1.00 0.00 C ATOM 812 C ARG A 138 11.331 -6.352 -0.375 1.00 0.00 C ATOM 813 O ARG A 138 12.477 -6.156 0.028 1.00 0.00 O ATOM 814 CB ARG A 138 9.490 -5.118 0.789 1.00 0.00 C ATOM 815 CG ARG A 138 10.301 -4.838 2.043 1.00 0.00 C ATOM 816 CD ARG A 138 9.425 -4.843 3.286 1.00 0.00 C ATOM 817 NE ARG A 138 10.170 -4.459 4.482 1.00 0.00 N ATOM 818 CZ ARG A 138 9.629 -4.385 5.694 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.346 -4.665 5.867 1.00 0.00 N ATOM 820 NH2 ARG A 138 10.373 -4.032 6.734 1.00 0.00 N ATOM 0 H ARG A 138 8.482 -5.484 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 138 10.892 -4.273 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.742 -4.334 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.950 -6.056 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.085 -5.589 2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.796 -3.871 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.590 -4.157 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.001 -5.837 3.427 1.00 0.00 H new ATOM 0 HE ARG A 138 11.160 -4.235 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.772 -4.938 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.932 -4.608 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.362 -3.817 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.956 -3.976 7.663 1.00 0.00 H new ATOM 834 N LYS A 139 10.886 -7.551 -0.739 1.00 0.00 N ATOM 835 CA LYS A 139 11.739 -8.733 -0.678 1.00 0.00 C ATOM 836 C LYS A 139 12.487 -8.934 -1.992 1.00 0.00 C ATOM 837 O LYS A 139 13.621 -9.413 -2.005 1.00 0.00 O ATOM 838 CB LYS A 139 10.908 -9.975 -0.352 1.00 0.00 C ATOM 839 CG LYS A 139 10.358 -9.983 1.066 1.00 0.00 C ATOM 840 CD LYS A 139 9.579 -11.257 1.355 1.00 0.00 C ATOM 841 CE LYS A 139 8.289 -11.318 0.553 1.00 0.00 C ATOM 842 NZ LYS A 139 7.539 -12.578 0.806 1.00 0.00 N ATOM 0 H LYS A 139 9.941 -7.729 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 139 12.471 -8.580 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.078 -10.042 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 139 11.523 -10.863 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.179 -9.889 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 139 9.710 -9.118 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.197 -12.123 1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.349 -11.310 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 139 7.662 -10.464 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 139 8.518 -11.239 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 6.666 -12.582 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 8.128 -13.392 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 7.298 -12.642 1.816 1.00 0.00 H new ATOM 856 N GLN A 140 11.845 -8.567 -3.096 1.00 0.00 N ATOM 857 CA GLN A 140 12.454 -8.706 -4.415 1.00 0.00 C ATOM 858 C GLN A 140 13.529 -7.644 -4.626 1.00 0.00 C ATOM 859 O GLN A 140 14.463 -7.840 -5.403 1.00 0.00 O ATOM 860 CB GLN A 140 11.385 -8.600 -5.507 1.00 0.00 C ATOM 861 CG GLN A 140 11.934 -8.729 -6.921 1.00 0.00 C ATOM 862 CD GLN A 140 12.648 -7.476 -7.394 1.00 0.00 C ATOM 863 OE1 GLN A 140 12.316 -6.365 -6.979 1.00 0.00 O ATOM 864 NE2 GLN A 140 13.635 -7.649 -8.266 1.00 0.00 N ATOM 0 H GLN A 140 10.905 -8.172 -3.104 1.00 0.00 H new ATOM 0 HA GLN A 140 12.923 -9.688 -4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.637 -9.376 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.876 -7.641 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.624 -9.572 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 140 11.115 -8.954 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 140 13.877 -8.588 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 140 14.151 -6.843 -8.618 1.00 0.00 H new ATOM 873 N GLN A 141 13.392 -6.522 -3.928 1.00 0.00 N ATOM 874 CA GLN A 141 14.354 -5.431 -4.043 1.00 0.00 C ATOM 875 C GLN A 141 15.552 -5.630 -3.115 1.00 0.00 C ATOM 876 O GLN A 141 16.539 -4.900 -3.202 1.00 0.00 O ATOM 877 CB GLN A 141 13.678 -4.093 -3.739 1.00 0.00 C ATOM 878 CG GLN A 141 14.630 -2.907 -3.790 1.00 0.00 C ATOM 879 CD GLN A 141 13.922 -1.569 -3.665 1.00 0.00 C ATOM 880 OE1 GLN A 141 14.367 -0.568 -4.224 1.00 0.00 O ATOM 881 NE2 GLN A 141 12.819 -1.540 -2.923 1.00 0.00 N ATOM 0 H GLN A 141 12.626 -6.344 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 141 14.722 -5.427 -5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.871 -3.932 -4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.223 -4.141 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.361 -3.001 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.183 -2.933 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 141 12.483 -2.393 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 141 12.309 -0.665 -2.801 1.00 0.00 H new ATOM 890 N GLU A 142 15.463 -6.617 -2.231 1.00 0.00 N ATOM 891 CA GLU A 142 16.545 -6.902 -1.295 1.00 0.00 C ATOM 892 C GLU A 142 16.253 -8.166 -0.495 1.00 0.00 C ATOM 893 O GLU A 142 15.633 -8.053 0.584 1.00 0.00 O ATOM 894 CB GLU A 142 16.753 -5.720 -0.346 1.00 0.00 C ATOM 895 CG GLU A 142 17.906 -5.917 0.627 1.00 0.00 C ATOM 896 CD GLU A 142 18.080 -4.743 1.570 1.00 0.00 C ATOM 897 OE1 GLU A 142 18.830 -3.808 1.223 1.00 0.00 O ATOM 898 OE2 GLU A 142 17.464 -4.760 2.657 1.00 0.00 O ATOM 899 OXT GLU A 142 16.645 -9.259 -0.953 1.00 0.00 O ATOM 0 H GLU A 142 14.655 -7.233 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 142 17.457 -7.060 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.934 -4.820 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.836 -5.552 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 142 17.735 -6.823 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 142 18.828 -6.067 0.066 1.00 0.00 H new