USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 370 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0098 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -139:sc= 0.223 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= -0.957 K(o=-0.96,f=-1.7) USER MOD Single : A 25 SER OG : rot -62:sc= 0.32 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.62! C(o=-2.6!,f=-14!) USER MOD Single : A 31 SER OG : rot 48:sc= 0.851 USER MOD Single : A 33 HIS : no HD1:sc= -6.43! C(o=-6.4!,f=-10!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= -0.988 (180deg=-0.988) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 55 THR OG1 : rot 127:sc= -0.903! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N PRO A 7 19.249 0.995 -1.754 1.00 0.00 N ATOM 87 CA PRO A 7 19.977 0.501 -0.584 1.00 0.00 C ATOM 88 C PRO A 7 20.202 -0.999 -0.701 1.00 0.00 C ATOM 89 O PRO A 7 19.318 -1.723 -1.119 1.00 0.00 O ATOM 90 CB PRO A 7 19.064 0.809 0.619 1.00 0.00 C ATOM 91 CG PRO A 7 17.829 1.586 0.082 1.00 0.00 C ATOM 92 CD PRO A 7 17.960 1.657 -1.447 1.00 0.00 C ATOM 0 HA PRO A 7 20.957 0.968 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.753 -0.113 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.597 1.402 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.905 1.081 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.789 2.587 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 7 17.129 1.150 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.954 2.690 -1.796 1.00 0.00 H new ATOM 100 N CYS A 8 21.378 -1.442 -0.335 1.00 0.00 N ATOM 101 CA CYS A 8 21.664 -2.903 -0.429 1.00 0.00 C ATOM 102 C CYS A 8 22.424 -3.431 0.775 1.00 0.00 C ATOM 103 O CYS A 8 22.501 -2.798 1.809 1.00 0.00 O ATOM 104 CB CYS A 8 22.535 -3.131 -1.655 1.00 0.00 C ATOM 105 SG CYS A 8 24.189 -2.388 -1.638 1.00 0.00 S ATOM 0 H CYS A 8 22.141 -0.865 0.019 1.00 0.00 H new ATOM 0 HA CYS A 8 20.709 -3.425 -0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.648 -4.206 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.001 -2.750 -2.526 1.00 0.00 H new ATOM 110 N CYS A 9 22.979 -4.602 0.596 1.00 0.00 N ATOM 111 CA CYS A 9 23.755 -5.239 1.693 1.00 0.00 C ATOM 112 C CYS A 9 24.377 -6.546 1.221 1.00 0.00 C ATOM 113 O CYS A 9 24.073 -7.018 0.151 1.00 0.00 O ATOM 114 CB CYS A 9 22.792 -5.553 2.835 1.00 0.00 C ATOM 115 SG CYS A 9 22.702 -4.362 4.202 1.00 0.00 S ATOM 0 H CYS A 9 22.926 -5.143 -0.267 1.00 0.00 H new ATOM 0 HA CYS A 9 24.547 -4.562 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.792 -5.658 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.067 -6.523 3.250 1.00 0.00 H new ATOM 120 N ASP A 10 25.236 -7.109 2.035 1.00 0.00 N ATOM 121 CA ASP A 10 25.887 -8.391 1.644 1.00 0.00 C ATOM 122 C ASP A 10 25.840 -9.381 2.793 1.00 0.00 C ATOM 123 O ASP A 10 25.032 -10.289 2.805 1.00 0.00 O ATOM 124 CB ASP A 10 27.354 -8.104 1.293 1.00 0.00 C ATOM 125 CG ASP A 10 27.517 -8.085 -0.229 1.00 0.00 C ATOM 126 OD1 ASP A 10 27.321 -7.015 -0.781 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.827 -9.143 -0.754 1.00 0.00 O ATOM 0 H ASP A 10 25.511 -6.738 2.945 1.00 0.00 H new ATOM 0 HA ASP A 10 25.361 -8.817 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.660 -7.147 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.000 -8.866 1.730 1.00 0.00 H new ATOM 132 N GLN A 11 26.706 -9.190 3.742 1.00 0.00 N ATOM 133 CA GLN A 11 26.722 -10.114 4.900 1.00 0.00 C ATOM 134 C GLN A 11 25.574 -9.787 5.840 1.00 0.00 C ATOM 135 O GLN A 11 25.593 -8.779 6.518 1.00 0.00 O ATOM 136 CB GLN A 11 28.045 -9.937 5.650 1.00 0.00 C ATOM 137 CG GLN A 11 29.172 -9.749 4.632 1.00 0.00 C ATOM 138 CD GLN A 11 30.502 -10.152 5.268 1.00 0.00 C ATOM 139 OE1 GLN A 11 30.775 -9.846 6.412 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.359 -10.837 4.561 1.00 0.00 N ATOM 0 H GLN A 11 27.398 -8.441 3.766 1.00 0.00 H new ATOM 0 HA GLN A 11 26.617 -11.140 4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.989 -9.074 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.243 -10.808 6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.982 -10.355 3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.212 -8.710 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.136 -11.097 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.252 -11.113 4.969 1.00 0.00 H new ATOM 149 N CYS A 12 24.597 -10.647 5.865 1.00 0.00 N ATOM 150 CA CYS A 12 23.438 -10.401 6.752 1.00 0.00 C ATOM 151 C CYS A 12 23.593 -11.114 8.093 1.00 0.00 C ATOM 152 O CYS A 12 24.160 -12.186 8.172 1.00 0.00 O ATOM 153 CB CYS A 12 22.176 -10.932 6.052 1.00 0.00 C ATOM 154 SG CYS A 12 20.653 -11.024 7.029 1.00 0.00 S ATOM 0 H CYS A 12 24.554 -11.503 5.312 1.00 0.00 H new ATOM 0 HA CYS A 12 23.368 -9.330 6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 12 21.982 -10.301 5.185 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.395 -11.931 5.676 1.00 0.00 H new ATOM 159 N ALA A 13 23.077 -10.498 9.123 1.00 0.00 N ATOM 160 CA ALA A 13 23.171 -11.105 10.476 1.00 0.00 C ATOM 161 C ALA A 13 21.944 -10.731 11.304 1.00 0.00 C ATOM 162 O ALA A 13 21.403 -9.651 11.147 1.00 0.00 O ATOM 163 CB ALA A 13 24.426 -10.551 11.169 1.00 0.00 C ATOM 0 H ALA A 13 22.595 -9.600 9.083 1.00 0.00 H new ATOM 0 HA ALA A 13 23.225 -12.190 10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.513 -10.985 12.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.308 -10.808 10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.348 -9.467 11.251 1.00 0.00 H new ATOM 169 N CYS A 14 21.522 -11.629 12.170 1.00 0.00 N ATOM 170 CA CYS A 14 20.327 -11.329 13.010 1.00 0.00 C ATOM 171 C CYS A 14 20.553 -11.669 14.469 1.00 0.00 C ATOM 172 O CYS A 14 21.250 -12.607 14.802 1.00 0.00 O ATOM 173 CB CYS A 14 19.138 -12.149 12.492 1.00 0.00 C ATOM 174 SG CYS A 14 17.672 -11.238 11.933 1.00 0.00 S ATOM 0 H CYS A 14 21.950 -12.542 12.325 1.00 0.00 H new ATOM 0 HA CYS A 14 20.131 -10.259 12.941 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.489 -12.763 11.663 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.829 -12.830 13.285 1.00 0.00 H new ATOM 179 N THR A 15 19.943 -10.880 15.315 1.00 0.00 N ATOM 180 CA THR A 15 20.079 -11.101 16.773 1.00 0.00 C ATOM 181 C THR A 15 18.820 -11.754 17.324 1.00 0.00 C ATOM 182 O THR A 15 17.722 -11.456 16.892 1.00 0.00 O ATOM 183 CB THR A 15 20.266 -9.740 17.448 1.00 0.00 C ATOM 184 OG1 THR A 15 18.987 -9.387 17.940 1.00 0.00 O ATOM 185 CG2 THR A 15 20.591 -8.656 16.410 1.00 0.00 C ATOM 0 H THR A 15 19.355 -10.090 15.051 1.00 0.00 H new ATOM 0 HA THR A 15 20.931 -11.752 16.967 1.00 0.00 H new ATOM 0 HB THR A 15 21.057 -9.804 18.195 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.038 -8.518 18.389 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.720 -7.698 16.913 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.511 -8.917 15.887 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.774 -8.582 15.693 1.00 0.00 H new ATOM 193 N LYS A 16 18.999 -12.627 18.273 1.00 0.00 N ATOM 194 CA LYS A 16 17.824 -13.311 18.864 1.00 0.00 C ATOM 195 C LYS A 16 17.120 -12.427 19.889 1.00 0.00 C ATOM 196 O LYS A 16 17.023 -12.779 21.048 1.00 0.00 O ATOM 197 CB LYS A 16 18.316 -14.582 19.568 1.00 0.00 C ATOM 198 CG LYS A 16 18.963 -15.509 18.535 1.00 0.00 C ATOM 199 CD LYS A 16 19.475 -16.765 19.240 1.00 0.00 C ATOM 200 CE LYS A 16 20.088 -17.706 18.203 1.00 0.00 C ATOM 201 NZ LYS A 16 19.243 -18.922 18.040 1.00 0.00 N ATOM 0 H LYS A 16 19.904 -12.894 18.662 1.00 0.00 H new ATOM 0 HA LYS A 16 17.116 -13.542 18.068 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.035 -14.326 20.346 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.483 -15.087 20.057 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.239 -15.778 17.766 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.785 -14.998 18.034 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.218 -16.498 19.991 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.658 -17.262 19.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.183 -17.191 17.247 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.093 -17.993 18.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.673 -19.551 17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.173 -19.421 18.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.292 -18.644 17.724 1.00 0.00 H new ATOM 215 N SER A 17 16.639 -11.292 19.448 1.00 0.00 N ATOM 216 CA SER A 17 15.941 -10.390 20.398 1.00 0.00 C ATOM 217 C SER A 17 14.488 -10.835 20.568 1.00 0.00 C ATOM 218 O SER A 17 14.202 -12.016 20.526 1.00 0.00 O ATOM 219 CB SER A 17 15.985 -8.958 19.844 1.00 0.00 C ATOM 220 OG SER A 17 15.488 -8.159 20.907 1.00 0.00 O ATOM 0 H SER A 17 16.700 -10.959 18.486 1.00 0.00 H new ATOM 0 HA SER A 17 16.434 -10.427 21.369 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.999 -8.668 19.568 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.371 -8.858 18.949 1.00 0.00 H new ATOM 0 HG SER A 17 14.894 -7.468 20.547 1.00 0.00 H new ATOM 226 N ASN A 18 13.588 -9.901 20.754 1.00 0.00 N ATOM 227 CA ASN A 18 12.167 -10.309 20.924 1.00 0.00 C ATOM 228 C ASN A 18 11.178 -9.139 20.661 1.00 0.00 C ATOM 229 O ASN A 18 10.872 -8.394 21.570 1.00 0.00 O ATOM 230 CB ASN A 18 11.992 -10.758 22.385 1.00 0.00 C ATOM 231 CG ASN A 18 10.700 -11.568 22.515 1.00 0.00 C ATOM 232 OD1 ASN A 18 10.461 -12.499 21.770 1.00 0.00 O ATOM 233 ND2 ASN A 18 9.843 -11.248 23.446 1.00 0.00 N ATOM 0 H ASN A 18 13.772 -8.899 20.794 1.00 0.00 H new ATOM 0 HA ASN A 18 11.947 -11.100 20.207 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.845 -11.360 22.697 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.958 -9.889 23.043 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.977 -11.778 23.546 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.039 -10.468 24.073 1.00 0.00 H new ATOM 240 N PRO A 19 10.686 -8.985 19.420 1.00 0.00 N ATOM 241 CA PRO A 19 11.029 -9.838 18.262 1.00 0.00 C ATOM 242 C PRO A 19 12.505 -9.672 17.879 1.00 0.00 C ATOM 243 O PRO A 19 13.151 -8.746 18.318 1.00 0.00 O ATOM 244 CB PRO A 19 10.147 -9.308 17.112 1.00 0.00 C ATOM 245 CG PRO A 19 9.322 -8.114 17.661 1.00 0.00 C ATOM 246 CD PRO A 19 9.714 -7.921 19.133 1.00 0.00 C ATOM 0 HA PRO A 19 10.866 -10.894 18.479 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.764 -8.992 16.271 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.486 -10.093 16.744 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.528 -7.210 17.088 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.254 -8.312 17.571 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.150 -6.936 19.298 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.844 -7.997 19.785 1.00 0.00 H new ATOM 254 N PRO A 20 13.007 -10.567 17.042 1.00 0.00 N ATOM 255 CA PRO A 20 14.406 -10.507 16.603 1.00 0.00 C ATOM 256 C PRO A 20 14.705 -9.213 15.839 1.00 0.00 C ATOM 257 O PRO A 20 13.811 -8.460 15.508 1.00 0.00 O ATOM 258 CB PRO A 20 14.573 -11.710 15.650 1.00 0.00 C ATOM 259 CG PRO A 20 13.178 -12.381 15.496 1.00 0.00 C ATOM 260 CD PRO A 20 12.223 -11.682 16.476 1.00 0.00 C ATOM 0 HA PRO A 20 15.085 -10.532 17.456 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.950 -11.382 14.681 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.297 -12.419 16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.816 -12.284 14.472 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.239 -13.447 15.713 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.331 -11.319 15.966 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.888 -12.365 17.256 1.00 0.00 H new ATOM 268 N GLN A 21 15.969 -8.988 15.577 1.00 0.00 N ATOM 269 CA GLN A 21 16.379 -7.764 14.838 1.00 0.00 C ATOM 270 C GLN A 21 17.350 -8.165 13.739 1.00 0.00 C ATOM 271 O GLN A 21 17.845 -9.272 13.756 1.00 0.00 O ATOM 272 CB GLN A 21 17.090 -6.830 15.825 1.00 0.00 C ATOM 273 CG GLN A 21 16.234 -5.580 16.054 1.00 0.00 C ATOM 274 CD GLN A 21 16.736 -4.844 17.298 1.00 0.00 C ATOM 275 OE1 GLN A 21 17.906 -4.881 17.624 1.00 0.00 O ATOM 276 NE2 GLN A 21 15.886 -4.163 18.017 1.00 0.00 N ATOM 0 H GLN A 21 16.735 -9.605 15.847 1.00 0.00 H new ATOM 0 HA GLN A 21 15.514 -7.264 14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.261 -7.345 16.770 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.068 -6.548 15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.286 -4.925 15.184 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.188 -5.860 16.180 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.903 -4.129 17.748 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.205 -3.665 18.848 1.00 0.00 H new ATOM 285 N CYS A 22 17.630 -7.288 12.798 1.00 0.00 N ATOM 286 CA CYS A 22 18.585 -7.718 11.733 1.00 0.00 C ATOM 287 C CYS A 22 19.345 -6.591 11.063 1.00 0.00 C ATOM 288 O CYS A 22 18.779 -5.711 10.455 1.00 0.00 O ATOM 289 CB CYS A 22 17.806 -8.482 10.660 1.00 0.00 C ATOM 290 SG CYS A 22 18.310 -10.193 10.325 1.00 0.00 S ATOM 0 H CYS A 22 17.258 -6.341 12.724 1.00 0.00 H new ATOM 0 HA CYS A 22 19.334 -8.334 12.231 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.755 -8.490 10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.877 -7.921 9.728 1.00 0.00 H new ATOM 295 N ARG A 23 20.641 -6.677 11.193 1.00 0.00 N ATOM 296 CA ARG A 23 21.539 -5.669 10.598 1.00 0.00 C ATOM 297 C ARG A 23 22.437 -6.375 9.586 1.00 0.00 C ATOM 298 O ARG A 23 22.862 -7.490 9.827 1.00 0.00 O ATOM 299 CB ARG A 23 22.385 -5.054 11.745 1.00 0.00 C ATOM 300 CG ARG A 23 23.874 -5.446 11.626 1.00 0.00 C ATOM 301 CD ARG A 23 24.630 -4.867 12.823 1.00 0.00 C ATOM 302 NE ARG A 23 25.254 -5.985 13.586 1.00 0.00 N ATOM 303 CZ ARG A 23 24.700 -6.393 14.693 1.00 0.00 C ATOM 304 NH1 ARG A 23 24.964 -5.756 15.803 1.00 0.00 N ATOM 305 NH2 ARG A 23 23.901 -7.422 14.656 1.00 0.00 N ATOM 0 H ARG A 23 21.117 -7.423 11.699 1.00 0.00 H new ATOM 0 HA ARG A 23 20.985 -4.878 10.092 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.291 -3.968 11.725 1.00 0.00 H new ATOM 0 HB3 ARG A 23 21.995 -5.390 12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.979 -6.531 11.602 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.292 -5.065 10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.395 -4.169 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 23 23.949 -4.307 13.464 1.00 0.00 H new ATOM 0 HE ARG A 23 26.107 -6.427 13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.594 -4.954 15.793 1.00 0.00 H new ATOM 0 HH12 ARG A 23 24.540 -6.061 16.679 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.718 -7.894 13.771 1.00 0.00 H new ATOM 0 HH22 ARG A 23 23.459 -7.755 15.513 1.00 0.00 H new ATOM 319 N CYS A 24 22.694 -5.741 8.466 1.00 0.00 N ATOM 320 CA CYS A 24 23.550 -6.371 7.457 1.00 0.00 C ATOM 321 C CYS A 24 24.707 -5.472 7.073 1.00 0.00 C ATOM 322 O CYS A 24 24.877 -4.402 7.624 1.00 0.00 O ATOM 323 CB CYS A 24 22.698 -6.626 6.228 1.00 0.00 C ATOM 324 SG CYS A 24 21.624 -5.290 5.640 1.00 0.00 S ATOM 0 H CYS A 24 22.340 -4.816 8.223 1.00 0.00 H new ATOM 0 HA CYS A 24 23.963 -7.295 7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 24 23.365 -6.901 5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 24 22.070 -7.493 6.432 1.00 0.00 H new ATOM 329 N SER A 25 25.481 -5.920 6.122 1.00 0.00 N ATOM 330 CA SER A 25 26.640 -5.100 5.685 1.00 0.00 C ATOM 331 C SER A 25 27.377 -4.577 6.897 1.00 0.00 C ATOM 332 O SER A 25 27.795 -3.437 6.935 1.00 0.00 O ATOM 333 CB SER A 25 26.122 -3.917 4.871 1.00 0.00 C ATOM 334 OG SER A 25 27.266 -3.447 4.172 1.00 0.00 O ATOM 0 H SER A 25 25.361 -6.808 5.635 1.00 0.00 H new ATOM 0 HA SER A 25 27.316 -5.708 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 25 25.333 -4.222 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.703 -3.144 5.515 1.00 0.00 H new ATOM 0 HG SER A 25 27.944 -3.152 4.815 1.00 0.00 H new ATOM 340 N ASP A 26 27.501 -5.436 7.871 1.00 0.00 N ATOM 341 CA ASP A 26 28.205 -5.052 9.126 1.00 0.00 C ATOM 342 C ASP A 26 29.392 -4.143 8.822 1.00 0.00 C ATOM 343 O ASP A 26 29.349 -2.963 9.103 1.00 0.00 O ATOM 344 CB ASP A 26 28.698 -6.335 9.815 1.00 0.00 C ATOM 345 CG ASP A 26 28.229 -7.554 9.021 1.00 0.00 C ATOM 346 OD1 ASP A 26 27.088 -7.930 9.228 1.00 0.00 O ATOM 347 OD2 ASP A 26 29.042 -8.044 8.254 1.00 0.00 O ATOM 0 H ASP A 26 27.143 -6.391 7.851 1.00 0.00 H new ATOM 0 HA ASP A 26 27.520 -4.508 9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.786 -6.329 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.315 -6.383 10.834 1.00 0.00 H new ATOM 352 N MET A 27 30.423 -4.698 8.243 1.00 0.00 N ATOM 353 CA MET A 27 31.605 -3.870 7.917 1.00 0.00 C ATOM 354 C MET A 27 31.574 -3.512 6.449 1.00 0.00 C ATOM 355 O MET A 27 31.130 -4.289 5.627 1.00 0.00 O ATOM 356 CB MET A 27 32.877 -4.670 8.180 1.00 0.00 C ATOM 357 CG MET A 27 32.542 -5.941 8.960 1.00 0.00 C ATOM 358 SD MET A 27 33.926 -6.939 9.558 1.00 0.00 S ATOM 359 CE MET A 27 32.965 -8.024 10.644 1.00 0.00 C ATOM 0 H MET A 27 30.492 -5.683 7.986 1.00 0.00 H new ATOM 0 HA MET A 27 31.590 -2.970 8.532 1.00 0.00 H new ATOM 0 HB2 MET A 27 33.356 -4.928 7.236 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.588 -4.065 8.743 1.00 0.00 H new ATOM 0 HG2 MET A 27 31.934 -5.658 9.820 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.921 -6.572 8.324 1.00 0.00 H new ATOM 0 HE1 MET A 27 33.632 -8.737 11.128 1.00 0.00 H new ATOM 0 HE2 MET A 27 32.461 -7.425 11.403 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.223 -8.563 10.055 1.00 0.00 H new ATOM 369 N ARG A 28 32.042 -2.355 6.142 1.00 0.00 N ATOM 370 CA ARG A 28 32.043 -1.933 4.726 1.00 0.00 C ATOM 371 C ARG A 28 33.004 -0.781 4.508 1.00 0.00 C ATOM 372 O ARG A 28 33.222 0.022 5.393 1.00 0.00 O ATOM 373 CB ARG A 28 30.624 -1.466 4.366 1.00 0.00 C ATOM 374 CG ARG A 28 30.060 -0.649 5.531 1.00 0.00 C ATOM 375 CD ARG A 28 28.992 0.315 5.006 1.00 0.00 C ATOM 376 NE ARG A 28 28.054 -0.432 4.123 1.00 0.00 N ATOM 377 CZ ARG A 28 27.691 0.093 2.985 1.00 0.00 C ATOM 378 NH1 ARG A 28 27.110 1.262 2.986 1.00 0.00 N ATOM 379 NH2 ARG A 28 27.923 -0.567 1.884 1.00 0.00 N ATOM 0 H ARG A 28 32.425 -1.680 6.804 1.00 0.00 H new ATOM 0 HA ARG A 28 32.355 -2.770 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 28 30.645 -0.863 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 28 29.984 -2.325 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 28 29.629 -1.313 6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 28 30.859 -0.092 6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 28 28.449 0.764 5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.460 1.130 4.454 1.00 0.00 H new ATOM 0 HE ARG A 28 27.699 -1.346 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 28 26.947 1.750 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 28 26.819 1.688 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 28 28.381 -1.478 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 28 27.646 -0.173 0.985 1.00 0.00 H new ATOM 393 N LEU A 29 33.568 -0.715 3.337 1.00 0.00 N ATOM 394 CA LEU A 29 34.512 0.387 3.060 1.00 0.00 C ATOM 395 C LEU A 29 33.772 1.712 3.262 1.00 0.00 C ATOM 396 O LEU A 29 32.712 1.730 3.850 1.00 0.00 O ATOM 397 CB LEU A 29 34.963 0.263 1.583 1.00 0.00 C ATOM 398 CG LEU A 29 36.479 0.036 1.517 1.00 0.00 C ATOM 399 CD1 LEU A 29 36.856 -0.419 0.104 1.00 0.00 C ATOM 400 CD2 LEU A 29 37.202 1.343 1.830 1.00 0.00 C ATOM 0 H LEU A 29 33.416 -1.371 2.571 1.00 0.00 H new ATOM 0 HA LEU A 29 35.378 0.346 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 34.441 -0.565 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 29 34.698 1.167 1.036 1.00 0.00 H new ATOM 0 HG LEU A 29 36.767 -0.725 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.932 -0.582 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.336 -1.348 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.569 0.349 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.279 1.183 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.916 2.101 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.928 1.680 2.830 1.00 0.00 H new ATOM 412 N ASN A 30 34.295 2.783 2.747 1.00 0.00 N ATOM 413 CA ASN A 30 33.582 4.073 2.937 1.00 0.00 C ATOM 414 C ASN A 30 32.347 4.079 2.031 1.00 0.00 C ATOM 415 O ASN A 30 32.484 4.102 0.824 1.00 0.00 O ATOM 416 CB ASN A 30 34.506 5.225 2.506 1.00 0.00 C ATOM 417 CG ASN A 30 35.765 4.663 1.842 1.00 0.00 C ATOM 418 OD1 ASN A 30 36.677 4.204 2.499 1.00 0.00 O ATOM 419 ND2 ASN A 30 35.857 4.685 0.540 1.00 0.00 N ATOM 0 H ASN A 30 35.164 2.825 2.215 1.00 0.00 H new ATOM 0 HA ASN A 30 33.295 4.193 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 30 33.982 5.883 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.779 5.827 3.373 1.00 0.00 H new ATOM 0 HD21 ASN A 30 36.691 4.318 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 30 35.095 5.069 -0.019 1.00 0.00 H new ATOM 426 N SER A 31 31.150 4.056 2.608 1.00 0.00 N ATOM 427 CA SER A 31 29.958 4.056 1.706 1.00 0.00 C ATOM 428 C SER A 31 28.621 4.387 2.369 1.00 0.00 C ATOM 429 O SER A 31 27.666 4.655 1.671 1.00 0.00 O ATOM 430 CB SER A 31 29.830 2.646 1.169 1.00 0.00 C ATOM 431 OG SER A 31 30.306 2.729 -0.166 1.00 0.00 O ATOM 0 H SER A 31 30.963 4.038 3.611 1.00 0.00 H new ATOM 0 HA SER A 31 30.134 4.834 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.419 1.942 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 31 28.796 2.301 1.201 1.00 0.00 H new ATOM 0 HG SER A 31 31.158 3.212 -0.180 1.00 0.00 H new ATOM 437 N CYS A 32 28.551 4.311 3.669 1.00 0.00 N ATOM 438 CA CYS A 32 27.236 4.635 4.346 1.00 0.00 C ATOM 439 C CYS A 32 26.513 5.774 3.634 1.00 0.00 C ATOM 440 O CYS A 32 27.106 6.530 2.888 1.00 0.00 O ATOM 441 CB CYS A 32 27.450 5.041 5.815 1.00 0.00 C ATOM 442 SG CYS A 32 28.543 4.022 6.834 1.00 0.00 S ATOM 0 H CYS A 32 29.317 4.047 4.289 1.00 0.00 H new ATOM 0 HA CYS A 32 26.630 3.730 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 32 27.839 6.059 5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.473 5.068 6.299 1.00 0.00 H new ATOM 447 N HIS A 33 25.252 5.897 3.908 1.00 0.00 N ATOM 448 CA HIS A 33 24.466 6.976 3.255 1.00 0.00 C ATOM 449 C HIS A 33 23.228 7.342 4.087 1.00 0.00 C ATOM 450 O HIS A 33 23.352 7.845 5.187 1.00 0.00 O ATOM 451 CB HIS A 33 24.024 6.430 1.879 1.00 0.00 C ATOM 452 CG HIS A 33 23.555 4.980 2.071 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.325 4.453 3.184 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.340 3.973 1.141 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.994 3.234 3.061 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.974 2.841 1.790 1.00 0.00 N ATOM 0 H HIS A 33 24.731 5.302 4.552 1.00 0.00 H new ATOM 0 HA HIS A 33 25.070 7.878 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.219 7.039 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.850 6.472 1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.447 4.075 0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.756 2.589 3.894 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.743 1.925 1.404 1.00 0.00 H new ATOM 464 N SER A 34 22.060 7.080 3.546 1.00 0.00 N ATOM 465 CA SER A 34 20.810 7.405 4.286 1.00 0.00 C ATOM 466 C SER A 34 20.221 6.167 4.926 1.00 0.00 C ATOM 467 O SER A 34 19.558 6.240 5.941 1.00 0.00 O ATOM 468 CB SER A 34 19.797 7.982 3.292 1.00 0.00 C ATOM 469 OG SER A 34 20.484 7.962 2.049 1.00 0.00 O ATOM 0 H SER A 34 21.925 6.657 2.628 1.00 0.00 H new ATOM 0 HA SER A 34 21.039 8.123 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.888 7.382 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.500 8.994 3.567 1.00 0.00 H new ATOM 0 HG SER A 34 19.900 8.318 1.347 1.00 0.00 H new ATOM 475 N ALA A 35 20.470 5.053 4.320 1.00 0.00 N ATOM 476 CA ALA A 35 19.934 3.794 4.880 1.00 0.00 C ATOM 477 C ALA A 35 20.810 3.357 6.042 1.00 0.00 C ATOM 478 O ALA A 35 20.555 2.357 6.683 1.00 0.00 O ATOM 479 CB ALA A 35 19.961 2.717 3.784 1.00 0.00 C ATOM 0 H ALA A 35 21.018 4.957 3.465 1.00 0.00 H new ATOM 0 HA ALA A 35 18.912 3.940 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.568 1.782 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.347 3.039 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.987 2.566 3.448 1.00 0.00 H new ATOM 485 N CYS A 36 21.832 4.140 6.285 1.00 0.00 N ATOM 486 CA CYS A 36 22.768 3.841 7.387 1.00 0.00 C ATOM 487 C CYS A 36 22.927 5.083 8.255 1.00 0.00 C ATOM 488 O CYS A 36 23.869 5.837 8.109 1.00 0.00 O ATOM 489 CB CYS A 36 24.132 3.478 6.789 1.00 0.00 C ATOM 490 SG CYS A 36 24.467 1.731 6.453 1.00 0.00 S ATOM 0 H CYS A 36 22.051 4.982 5.754 1.00 0.00 H new ATOM 0 HA CYS A 36 22.387 3.015 7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 36 24.245 4.027 5.854 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.903 3.843 7.468 1.00 0.00 H new ATOM 495 N LYS A 37 21.999 5.272 9.140 1.00 0.00 N ATOM 496 CA LYS A 37 22.062 6.454 10.030 1.00 0.00 C ATOM 497 C LYS A 37 23.155 6.312 11.062 1.00 0.00 C ATOM 498 O LYS A 37 24.114 7.057 11.073 1.00 0.00 O ATOM 499 CB LYS A 37 20.718 6.579 10.764 1.00 0.00 C ATOM 500 CG LYS A 37 19.641 7.065 9.788 1.00 0.00 C ATOM 501 CD LYS A 37 18.432 6.131 9.883 1.00 0.00 C ATOM 502 CE LYS A 37 17.334 6.614 8.929 1.00 0.00 C ATOM 503 NZ LYS A 37 17.725 7.896 8.283 1.00 0.00 N ATOM 0 H LYS A 37 21.198 4.658 9.286 1.00 0.00 H new ATOM 0 HA LYS A 37 22.272 7.334 9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.432 5.616 11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.810 7.277 11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.348 8.087 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.031 7.075 8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.726 5.112 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.056 6.109 10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.150 5.858 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.401 6.747 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.968 8.206 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.878 8.620 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.603 7.759 7.743 1.00 0.00 H new ATOM 517 N SER A 38 22.990 5.357 11.905 1.00 0.00 N ATOM 518 CA SER A 38 24.003 5.136 12.957 1.00 0.00 C ATOM 519 C SER A 38 25.217 4.397 12.412 1.00 0.00 C ATOM 520 O SER A 38 25.442 3.255 12.736 1.00 0.00 O ATOM 521 CB SER A 38 23.367 4.291 14.072 1.00 0.00 C ATOM 522 OG SER A 38 22.501 5.195 14.742 1.00 0.00 O ATOM 0 H SER A 38 22.198 4.715 11.917 1.00 0.00 H new ATOM 0 HA SER A 38 24.333 6.104 13.334 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.818 3.442 13.665 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.122 3.889 14.747 1.00 0.00 H new ATOM 0 HG SER A 38 22.048 4.731 15.477 1.00 0.00 H new ATOM 528 N CYS A 39 25.964 5.061 11.570 1.00 0.00 N ATOM 529 CA CYS A 39 27.170 4.411 10.997 1.00 0.00 C ATOM 530 C CYS A 39 28.432 4.881 11.668 1.00 0.00 C ATOM 531 O CYS A 39 28.717 6.061 11.722 1.00 0.00 O ATOM 532 CB CYS A 39 27.293 4.752 9.508 1.00 0.00 C ATOM 533 SG CYS A 39 27.342 3.373 8.330 1.00 0.00 S ATOM 0 H CYS A 39 25.790 6.017 11.259 1.00 0.00 H new ATOM 0 HA CYS A 39 27.052 3.338 11.151 1.00 0.00 H new ATOM 0 HB2 CYS A 39 26.453 5.393 9.240 1.00 0.00 H new ATOM 0 HB3 CYS A 39 28.200 5.342 9.372 1.00 0.00 H new ATOM 538 N ILE A 40 29.171 3.946 12.166 1.00 0.00 N ATOM 539 CA ILE A 40 30.432 4.315 12.833 1.00 0.00 C ATOM 540 C ILE A 40 31.330 4.561 11.684 1.00 0.00 C ATOM 541 O ILE A 40 31.082 3.988 10.647 1.00 0.00 O ATOM 542 CB ILE A 40 30.949 3.131 13.655 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.913 2.729 14.696 1.00 0.00 C ATOM 544 CG2 ILE A 40 32.230 3.561 14.387 1.00 0.00 C ATOM 545 CD1 ILE A 40 30.011 1.221 14.935 1.00 0.00 C ATOM 0 H ILE A 40 28.959 2.949 12.141 1.00 0.00 H new ATOM 0 HA ILE A 40 30.344 5.160 13.516 1.00 0.00 H new ATOM 0 HB ILE A 40 31.146 2.290 12.990 1.00 0.00 H new ATOM 0 HG12 ILE A 40 30.084 3.270 15.627 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.912 2.992 14.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.609 2.727 14.977 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.982 3.862 13.658 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.008 4.400 15.046 1.00 0.00 H new ATOM 0 HD11 ILE A 40 29.273 0.922 15.679 1.00 0.00 H new ATOM 0 HD12 ILE A 40 29.820 0.692 14.002 1.00 0.00 H new ATOM 0 HD13 ILE A 40 31.010 0.974 15.295 1.00 0.00 H new ATOM 557 N CYS A 41 32.353 5.344 11.773 1.00 0.00 N ATOM 558 CA CYS A 41 33.085 5.441 10.515 1.00 0.00 C ATOM 559 C CYS A 41 34.379 6.211 10.627 1.00 0.00 C ATOM 560 O CYS A 41 34.467 7.230 11.281 1.00 0.00 O ATOM 561 CB CYS A 41 32.127 6.199 9.594 1.00 0.00 C ATOM 562 SG CYS A 41 31.219 5.271 8.317 1.00 0.00 S ATOM 0 H CYS A 41 32.686 5.872 12.580 1.00 0.00 H new ATOM 0 HA CYS A 41 33.371 4.450 10.162 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.392 6.700 10.223 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.700 6.978 9.091 1.00 0.00 H new ATOM 567 N ALA A 42 35.358 5.682 9.967 1.00 0.00 N ATOM 568 CA ALA A 42 36.694 6.310 9.964 1.00 0.00 C ATOM 569 C ALA A 42 36.867 7.058 8.658 1.00 0.00 C ATOM 570 O ALA A 42 36.898 6.454 7.605 1.00 0.00 O ATOM 571 CB ALA A 42 37.761 5.207 10.063 1.00 0.00 C ATOM 0 H ALA A 42 35.287 4.825 9.419 1.00 0.00 H new ATOM 0 HA ALA A 42 36.796 6.996 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.753 5.659 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.619 4.646 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.668 4.533 9.211 1.00 0.00 H new ATOM 577 N LEU A 43 36.969 8.352 8.743 1.00 0.00 N ATOM 578 CA LEU A 43 37.138 9.160 7.507 1.00 0.00 C ATOM 579 C LEU A 43 38.548 9.030 6.918 1.00 0.00 C ATOM 580 O LEU A 43 39.138 9.997 6.479 1.00 0.00 O ATOM 581 CB LEU A 43 36.869 10.627 7.869 1.00 0.00 C ATOM 582 CG LEU A 43 35.346 10.892 7.889 1.00 0.00 C ATOM 583 CD1 LEU A 43 34.781 10.817 6.456 1.00 0.00 C ATOM 584 CD2 LEU A 43 34.647 9.847 8.780 1.00 0.00 C ATOM 0 H LEU A 43 36.943 8.884 9.613 1.00 0.00 H new ATOM 0 HA LEU A 43 36.441 8.798 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 43 37.300 10.855 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 37.352 11.284 7.146 1.00 0.00 H new ATOM 0 HG LEU A 43 35.163 11.888 8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.708 11.005 6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 43 35.268 11.567 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.968 9.826 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.574 10.038 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 43 34.834 8.848 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 43 35.038 9.915 9.795 1.00 0.00 H new ATOM 596 N SER A 44 39.061 7.836 6.916 1.00 0.00 N ATOM 597 CA SER A 44 40.422 7.635 6.358 1.00 0.00 C ATOM 598 C SER A 44 40.361 7.544 4.831 1.00 0.00 C ATOM 599 O SER A 44 39.320 7.749 4.235 1.00 0.00 O ATOM 600 CB SER A 44 41.001 6.327 6.915 1.00 0.00 C ATOM 601 OG SER A 44 42.067 6.750 7.755 1.00 0.00 O ATOM 0 H SER A 44 38.602 6.998 7.273 1.00 0.00 H new ATOM 0 HA SER A 44 41.052 8.479 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 44 40.252 5.765 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 44 41.357 5.676 6.116 1.00 0.00 H new ATOM 0 HG SER A 44 42.496 5.967 8.158 1.00 0.00 H new ATOM 607 N TYR A 45 41.468 7.223 4.222 1.00 0.00 N ATOM 608 CA TYR A 45 41.471 7.122 2.737 1.00 0.00 C ATOM 609 C TYR A 45 42.546 6.124 2.234 1.00 0.00 C ATOM 610 O TYR A 45 43.708 6.475 2.167 1.00 0.00 O ATOM 611 CB TYR A 45 41.822 8.513 2.183 1.00 0.00 C ATOM 612 CG TYR A 45 42.275 8.375 0.728 1.00 0.00 C ATOM 613 CD1 TYR A 45 41.367 8.063 -0.261 1.00 0.00 C ATOM 614 CD2 TYR A 45 43.600 8.549 0.388 1.00 0.00 C ATOM 615 CE1 TYR A 45 41.778 7.926 -1.571 1.00 0.00 C ATOM 616 CE2 TYR A 45 44.012 8.414 -0.922 1.00 0.00 C ATOM 617 CZ TYR A 45 43.104 8.100 -1.911 1.00 0.00 C ATOM 618 OH TYR A 45 43.515 7.964 -3.222 1.00 0.00 O ATOM 0 H TYR A 45 42.358 7.029 4.680 1.00 0.00 H new ATOM 0 HA TYR A 45 40.494 6.773 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 45 40.956 9.172 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 45 42.612 8.967 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 45 40.326 7.925 -0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 45 44.322 8.793 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 45 41.056 7.681 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 45 45.053 8.555 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 45 44.480 8.122 -3.280 1.00 0.00 H new ATOM 628 N PRO A 46 42.158 4.886 1.886 1.00 0.00 N ATOM 629 CA PRO A 46 40.766 4.387 1.950 1.00 0.00 C ATOM 630 C PRO A 46 40.237 4.429 3.377 1.00 0.00 C ATOM 631 O PRO A 46 40.979 4.220 4.314 1.00 0.00 O ATOM 632 CB PRO A 46 40.854 2.919 1.482 1.00 0.00 C ATOM 633 CG PRO A 46 42.342 2.619 1.147 1.00 0.00 C ATOM 634 CD PRO A 46 43.141 3.902 1.413 1.00 0.00 C ATOM 0 HA PRO A 46 40.095 4.992 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 46 40.494 2.247 2.261 1.00 0.00 H new ATOM 0 HB3 PRO A 46 40.225 2.758 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 46 42.716 1.800 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 46 42.446 2.311 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.917 3.733 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 46 43.639 4.249 0.508 1.00 0.00 H new ATOM 642 N ALA A 47 38.965 4.694 3.527 1.00 0.00 N ATOM 643 CA ALA A 47 38.404 4.746 4.883 1.00 0.00 C ATOM 644 C ALA A 47 37.827 3.413 5.280 1.00 0.00 C ATOM 645 O ALA A 47 37.849 2.464 4.524 1.00 0.00 O ATOM 646 CB ALA A 47 37.283 5.791 4.887 1.00 0.00 C ATOM 0 H ALA A 47 38.306 4.873 2.769 1.00 0.00 H new ATOM 0 HA ALA A 47 39.192 5.003 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.846 5.852 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.691 6.763 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.514 5.502 4.171 1.00 0.00 H new ATOM 652 N GLN A 48 37.338 3.373 6.465 1.00 0.00 N ATOM 653 CA GLN A 48 36.736 2.135 6.989 1.00 0.00 C ATOM 654 C GLN A 48 35.410 2.544 7.516 1.00 0.00 C ATOM 655 O GLN A 48 35.300 3.634 8.042 1.00 0.00 O ATOM 656 CB GLN A 48 37.617 1.589 8.124 1.00 0.00 C ATOM 657 CG GLN A 48 38.991 1.228 7.549 1.00 0.00 C ATOM 658 CD GLN A 48 39.970 0.947 8.692 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.501 0.642 9.871 1.00 0.00 O flip ATOM 660 NE2 GLN A 48 41.172 1.000 8.520 1.00 0.00 N flip ATOM 0 H GLN A 48 37.327 4.162 7.112 1.00 0.00 H new ATOM 0 HA GLN A 48 36.645 1.355 6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.721 2.334 8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.153 0.711 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 48 38.908 0.353 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.363 2.045 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.546 1.238 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.807 0.807 9.294 1.00 0.00 H new ATOM 669 N CYS A 49 34.403 1.734 7.384 1.00 0.00 N ATOM 670 CA CYS A 49 33.135 2.221 7.923 1.00 0.00 C ATOM 671 C CYS A 49 32.228 1.071 8.350 1.00 0.00 C ATOM 672 O CYS A 49 32.316 -0.020 7.824 1.00 0.00 O ATOM 673 CB CYS A 49 32.520 3.019 6.774 1.00 0.00 C ATOM 674 SG CYS A 49 32.538 4.831 6.903 1.00 0.00 S ATOM 0 H CYS A 49 34.406 0.810 6.951 1.00 0.00 H new ATOM 0 HA CYS A 49 33.273 2.824 8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 49 33.040 2.742 5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.484 2.701 6.661 1.00 0.00 H new ATOM 679 N PHE A 50 31.372 1.344 9.313 1.00 0.00 N ATOM 680 CA PHE A 50 30.445 0.290 9.803 1.00 0.00 C ATOM 681 C PHE A 50 29.026 0.817 9.904 1.00 0.00 C ATOM 682 O PHE A 50 28.814 1.997 10.080 1.00 0.00 O ATOM 683 CB PHE A 50 30.891 -0.104 11.216 1.00 0.00 C ATOM 684 CG PHE A 50 30.828 -1.621 11.392 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.613 -2.253 11.595 1.00 0.00 C ATOM 686 CD2 PHE A 50 31.986 -2.378 11.386 1.00 0.00 C ATOM 687 CE1 PHE A 50 29.560 -3.618 11.788 1.00 0.00 C ATOM 688 CE2 PHE A 50 31.930 -3.743 11.580 1.00 0.00 C ATOM 689 CZ PHE A 50 30.717 -4.362 11.780 1.00 0.00 C ATOM 0 H PHE A 50 31.282 2.250 9.773 1.00 0.00 H new ATOM 0 HA PHE A 50 30.467 -0.551 9.110 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.907 0.247 11.394 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.252 0.381 11.954 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.701 -1.674 11.602 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.940 -1.897 11.228 1.00 0.00 H new ATOM 0 HE1 PHE A 50 28.608 -4.103 11.946 1.00 0.00 H new ATOM 0 HE2 PHE A 50 32.839 -4.326 11.575 1.00 0.00 H new ATOM 0 HZ PHE A 50 30.674 -5.431 11.930 1.00 0.00 H new ATOM 699 N CYS A 51 28.085 -0.079 9.810 1.00 0.00 N ATOM 700 CA CYS A 51 26.658 0.321 9.895 1.00 0.00 C ATOM 701 C CYS A 51 25.927 -0.560 10.885 1.00 0.00 C ATOM 702 O CYS A 51 25.737 -1.734 10.637 1.00 0.00 O ATOM 703 CB CYS A 51 26.017 0.137 8.517 1.00 0.00 C ATOM 704 SG CYS A 51 24.370 0.853 8.269 1.00 0.00 S ATOM 0 H CYS A 51 28.246 -1.077 9.677 1.00 0.00 H new ATOM 0 HA CYS A 51 26.594 1.360 10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.688 0.566 7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.955 -0.932 8.313 1.00 0.00 H new ATOM 709 N VAL A 52 25.520 0.013 11.996 1.00 0.00 N ATOM 710 CA VAL A 52 24.798 -0.813 12.997 1.00 0.00 C ATOM 711 C VAL A 52 23.302 -0.675 12.798 1.00 0.00 C ATOM 712 O VAL A 52 22.520 -1.299 13.489 1.00 0.00 O ATOM 713 CB VAL A 52 25.180 -0.360 14.418 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.569 -0.907 14.753 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.218 1.159 14.485 1.00 0.00 C ATOM 0 H VAL A 52 25.656 0.994 12.242 1.00 0.00 H new ATOM 0 HA VAL A 52 25.079 -1.858 12.866 1.00 0.00 H new ATOM 0 HB VAL A 52 24.443 -0.734 15.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.851 -0.593 15.758 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.553 -1.996 14.704 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.294 -0.523 14.036 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.489 1.472 15.493 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.956 1.536 13.777 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.236 1.559 14.232 1.00 0.00 H new ATOM 725 N ASP A 53 22.925 0.152 11.855 1.00 0.00 N ATOM 726 CA ASP A 53 21.486 0.340 11.596 1.00 0.00 C ATOM 727 C ASP A 53 20.840 -1.010 11.372 1.00 0.00 C ATOM 728 O ASP A 53 21.365 -1.832 10.646 1.00 0.00 O ATOM 729 CB ASP A 53 21.335 1.186 10.332 1.00 0.00 C ATOM 730 CG ASP A 53 19.879 1.627 10.185 1.00 0.00 C ATOM 731 OD1 ASP A 53 19.405 2.246 11.122 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.324 1.320 9.143 1.00 0.00 O ATOM 0 H ASP A 53 23.554 0.696 11.264 1.00 0.00 H new ATOM 0 HA ASP A 53 21.009 0.834 12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.987 2.058 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.642 0.611 9.458 1.00 0.00 H new ATOM 737 N ILE A 54 19.711 -1.214 11.989 1.00 0.00 N ATOM 738 CA ILE A 54 19.012 -2.508 11.830 1.00 0.00 C ATOM 739 C ILE A 54 17.711 -2.383 11.067 1.00 0.00 C ATOM 740 O ILE A 54 17.239 -1.303 10.773 1.00 0.00 O ATOM 741 CB ILE A 54 18.691 -3.048 13.217 1.00 0.00 C ATOM 742 CG1 ILE A 54 18.590 -1.901 14.228 1.00 0.00 C ATOM 743 CG2 ILE A 54 19.830 -3.998 13.626 1.00 0.00 C ATOM 744 CD1 ILE A 54 17.710 -2.334 15.407 1.00 0.00 C ATOM 0 H ILE A 54 19.246 -0.538 12.595 1.00 0.00 H new ATOM 0 HA ILE A 54 19.669 -3.170 11.265 1.00 0.00 H new ATOM 0 HB ILE A 54 17.736 -3.572 13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.583 -1.627 14.583 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.167 -1.017 13.750 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.628 -4.402 14.618 1.00 0.00 H new ATOM 0 HG22 ILE A 54 19.897 -4.815 12.908 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.772 -3.450 13.642 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.638 -1.518 16.126 1.00 0.00 H new ATOM 0 HD12 ILE A 54 16.714 -2.587 15.044 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.152 -3.206 15.890 1.00 0.00 H new ATOM 756 N THR A 55 17.171 -3.521 10.766 1.00 0.00 N ATOM 757 CA THR A 55 15.899 -3.588 10.023 1.00 0.00 C ATOM 758 C THR A 55 15.211 -4.914 10.348 1.00 0.00 C ATOM 759 O THR A 55 15.684 -5.652 11.194 1.00 0.00 O ATOM 760 CB THR A 55 16.213 -3.517 8.522 1.00 0.00 C ATOM 761 OG1 THR A 55 15.033 -3.926 7.866 1.00 0.00 O ATOM 762 CG2 THR A 55 17.258 -4.571 8.133 1.00 0.00 C ATOM 0 H THR A 55 17.569 -4.428 11.011 1.00 0.00 H new ATOM 0 HA THR A 55 15.243 -2.763 10.301 1.00 0.00 H new ATOM 0 HB THR A 55 16.565 -2.517 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.778 -3.252 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.465 -4.502 7.065 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.177 -4.396 8.692 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.876 -5.565 8.365 1.00 0.00 H new ATOM 770 N ASP A 56 14.119 -5.197 9.678 1.00 0.00 N ATOM 771 CA ASP A 56 13.400 -6.477 9.950 1.00 0.00 C ATOM 772 C ASP A 56 13.392 -7.395 8.729 1.00 0.00 C ATOM 773 O ASP A 56 12.458 -8.145 8.530 1.00 0.00 O ATOM 774 CB ASP A 56 11.949 -6.140 10.313 1.00 0.00 C ATOM 775 CG ASP A 56 11.932 -5.312 11.599 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.225 -4.132 11.488 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.630 -5.905 12.621 1.00 0.00 O ATOM 0 H ASP A 56 13.700 -4.603 8.963 1.00 0.00 H new ATOM 0 HA ASP A 56 13.912 -6.995 10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.478 -5.584 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.373 -7.056 10.448 1.00 0.00 H new ATOM 782 N PHE A 57 14.427 -7.327 7.930 1.00 0.00 N ATOM 783 CA PHE A 57 14.455 -8.212 6.726 1.00 0.00 C ATOM 784 C PHE A 57 15.812 -8.216 6.011 1.00 0.00 C ATOM 785 O PHE A 57 15.958 -8.849 4.986 1.00 0.00 O ATOM 786 CB PHE A 57 13.397 -7.709 5.740 1.00 0.00 C ATOM 787 CG PHE A 57 13.188 -6.205 5.930 1.00 0.00 C ATOM 788 CD1 PHE A 57 14.063 -5.295 5.364 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.111 -5.735 6.663 1.00 0.00 C ATOM 790 CE1 PHE A 57 13.863 -3.939 5.525 1.00 0.00 C ATOM 791 CE2 PHE A 57 11.915 -4.378 6.822 1.00 0.00 C ATOM 792 CZ PHE A 57 12.790 -3.482 6.254 1.00 0.00 C ATOM 0 H PHE A 57 15.233 -6.715 8.053 1.00 0.00 H new ATOM 0 HA PHE A 57 14.261 -9.230 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.712 -7.916 4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.458 -8.239 5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.908 -5.648 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.421 -6.434 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.550 -3.236 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.072 -4.019 7.394 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.635 -2.421 6.380 1.00 0.00 H new ATOM 802 N CYS A 58 16.778 -7.526 6.551 1.00 0.00 N ATOM 803 CA CYS A 58 18.110 -7.503 5.889 1.00 0.00 C ATOM 804 C CYS A 58 17.964 -7.149 4.417 1.00 0.00 C ATOM 805 O CYS A 58 17.661 -7.995 3.599 1.00 0.00 O ATOM 806 CB CYS A 58 18.755 -8.895 6.006 1.00 0.00 C ATOM 807 SG CYS A 58 20.071 -9.100 7.233 1.00 0.00 S ATOM 0 H CYS A 58 16.704 -6.983 7.412 1.00 0.00 H new ATOM 0 HA CYS A 58 18.734 -6.754 6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.967 -9.614 6.233 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.159 -9.163 5.030 1.00 0.00 H new ATOM 812 N TYR A 59 18.181 -5.898 4.117 1.00 0.00 N ATOM 813 CA TYR A 59 18.067 -5.431 2.706 1.00 0.00 C ATOM 814 C TYR A 59 18.572 -6.480 1.716 1.00 0.00 C ATOM 815 O TYR A 59 19.499 -7.214 1.995 1.00 0.00 O ATOM 816 CB TYR A 59 18.896 -4.150 2.551 1.00 0.00 C ATOM 817 CG TYR A 59 18.424 -3.127 3.584 1.00 0.00 C ATOM 818 CD1 TYR A 59 17.151 -2.602 3.511 1.00 0.00 C ATOM 819 CD2 TYR A 59 19.258 -2.722 4.608 1.00 0.00 C ATOM 820 CE1 TYR A 59 16.717 -1.687 4.444 1.00 0.00 C ATOM 821 CE2 TYR A 59 18.823 -1.806 5.542 1.00 0.00 C ATOM 822 CZ TYR A 59 17.549 -1.282 5.468 1.00 0.00 C ATOM 823 OH TYR A 59 17.113 -0.365 6.403 1.00 0.00 O ATOM 0 H TYR A 59 18.434 -5.176 4.792 1.00 0.00 H new ATOM 0 HA TYR A 59 17.015 -5.248 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.955 -4.367 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.784 -3.748 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.489 -2.911 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.257 -3.126 4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.718 -1.283 4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.485 -1.496 6.338 1.00 0.00 H new ATOM 0 HH TYR A 59 17.827 -0.195 7.052 1.00 0.00 H new ATOM 833 N GLU A 60 17.941 -6.518 0.576 1.00 0.00 N ATOM 834 CA GLU A 60 18.340 -7.497 -0.470 1.00 0.00 C ATOM 835 C GLU A 60 19.855 -7.432 -0.765 1.00 0.00 C ATOM 836 O GLU A 60 20.489 -6.416 -0.534 1.00 0.00 O ATOM 837 CB GLU A 60 17.568 -7.129 -1.748 1.00 0.00 C ATOM 838 CG GLU A 60 16.207 -7.821 -1.722 1.00 0.00 C ATOM 839 CD GLU A 60 15.421 -7.340 -0.499 1.00 0.00 C ATOM 840 OE1 GLU A 60 15.652 -7.916 0.553 1.00 0.00 O ATOM 841 OE2 GLU A 60 14.640 -6.422 -0.684 1.00 0.00 O ATOM 0 H GLU A 60 17.162 -5.909 0.324 1.00 0.00 H new ATOM 0 HA GLU A 60 18.114 -8.507 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.440 -6.048 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.130 -7.437 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.655 -7.598 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.336 -8.903 -1.684 1.00 0.00 H new ATOM 848 N PRO A 61 20.420 -8.532 -1.276 1.00 0.00 N ATOM 849 CA PRO A 61 21.848 -8.573 -1.593 1.00 0.00 C ATOM 850 C PRO A 61 22.245 -7.416 -2.505 1.00 0.00 C ATOM 851 O PRO A 61 21.414 -6.840 -3.180 1.00 0.00 O ATOM 852 CB PRO A 61 22.055 -9.915 -2.326 1.00 0.00 C ATOM 853 CG PRO A 61 20.689 -10.659 -2.332 1.00 0.00 C ATOM 854 CD PRO A 61 19.687 -9.783 -1.567 1.00 0.00 C ATOM 0 HA PRO A 61 22.458 -8.485 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.404 -9.746 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.815 -10.513 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.349 -10.829 -3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 61 20.782 -11.637 -1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.796 -9.589 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.357 -10.270 -0.649 1.00 0.00 H new ATOM 862 N CYS A 62 23.511 -7.102 -2.505 1.00 0.00 N ATOM 863 CA CYS A 62 23.995 -5.986 -3.358 1.00 0.00 C ATOM 864 C CYS A 62 24.688 -6.468 -4.614 1.00 0.00 C ATOM 865 O CYS A 62 24.277 -7.417 -5.244 1.00 0.00 O ATOM 866 CB CYS A 62 25.003 -5.167 -2.535 1.00 0.00 C ATOM 867 SG CYS A 62 25.241 -3.438 -3.008 1.00 0.00 S ATOM 0 H CYS A 62 24.228 -7.570 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 62 23.131 -5.397 -3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 62 24.688 -5.192 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.969 -5.668 -2.588 1.00 0.00 H new