USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 349 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 197 CYS SG : rot 121:sc= 0.685 USER MOD Set 1.2: A 206 CYS SG : rot 128:sc= 0.525 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.525 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.97 X(o=0.77,f=0.4) USER MOD Set 2.1: A 159 CYS SG : rot 111:sc= 0.433 USER MOD Set 2.2: A 168 CYS SG : rot 124:sc= 0.569 USER MOD Set 2.3: A 174 CYS SG : rot 124:sc= 0.732 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.399 K(o=1.3,f=0.2) USER MOD Single : A 155 LYS NZ :NH3+ 173:sc= 0.564 (180deg=0.533) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 201 HIS : no HD1:sc= 0.407 K(o=0.41,f=-1.5) USER MOD Single : A 202 THR OG1 : rot 84:sc= 0.812 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.852 9.022 2.599 1.00 0.00 N ATOM 74 CA LYS A 155 1.872 8.658 1.530 1.00 0.00 C ATOM 75 C LYS A 155 1.886 7.124 1.281 1.00 0.00 C ATOM 76 O LYS A 155 1.564 6.678 0.181 1.00 0.00 O ATOM 77 CB LYS A 155 2.223 9.411 0.220 1.00 0.00 C ATOM 78 CG LYS A 155 1.919 10.903 0.422 1.00 0.00 C ATOM 79 CD LYS A 155 1.872 11.644 -0.916 1.00 0.00 C ATOM 80 CE LYS A 155 1.595 13.130 -0.704 1.00 0.00 C ATOM 81 NZ LYS A 155 0.169 13.403 -0.427 1.00 0.00 N ATOM 0 HA LYS A 155 0.873 8.948 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.275 9.269 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.642 9.015 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.965 11.016 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.681 11.349 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.819 11.517 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.097 11.212 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.200 13.495 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 155 1.903 13.684 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.050 14.405 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.396 13.190 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.152 12.806 0.362 1.00 0.00 H new ATOM 95 N THR A 156 2.146 6.287 2.288 1.00 0.00 N ATOM 96 CA THR A 156 1.966 4.816 2.151 1.00 0.00 C ATOM 97 C THR A 156 0.529 4.435 2.527 1.00 0.00 C ATOM 98 O THR A 156 0.075 3.340 2.190 1.00 0.00 O ATOM 99 CB THR A 156 2.946 4.083 3.077 1.00 0.00 C ATOM 100 OG1 THR A 156 2.815 4.448 4.434 1.00 0.00 O ATOM 101 CG2 THR A 156 4.398 4.242 2.630 1.00 0.00 C ATOM 0 H THR A 156 2.479 6.586 3.204 1.00 0.00 H new ATOM 0 HA THR A 156 2.161 4.528 1.118 1.00 0.00 H new ATOM 0 HB THR A 156 2.672 3.031 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.463 3.947 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.051 3.705 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.516 3.836 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.664 5.299 2.627 1.00 0.00 H new ATOM 109 N GLU A 157 -0.239 5.307 3.205 1.00 0.00 N ATOM 110 CA GLU A 157 -1.628 4.997 3.604 1.00 0.00 C ATOM 111 C GLU A 157 -2.581 6.058 3.029 1.00 0.00 C ATOM 112 O GLU A 157 -2.196 7.226 2.889 1.00 0.00 O ATOM 113 CB GLU A 157 -1.727 4.991 5.143 1.00 0.00 C ATOM 114 CG GLU A 157 -3.113 4.740 5.756 1.00 0.00 C ATOM 115 CD GLU A 157 -3.621 3.315 5.516 1.00 0.00 C ATOM 116 OE1 GLU A 157 -4.030 3.029 4.365 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.613 2.521 6.488 1.00 0.00 O ATOM 0 H GLU A 157 0.078 6.234 3.489 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.908 4.017 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.047 4.229 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.365 5.952 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.070 4.929 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.825 5.450 5.335 1.00 0.00 H new ATOM 124 N LEU A 158 -3.826 5.707 2.665 1.00 0.00 N ATOM 125 CA LEU A 158 -4.782 6.672 2.097 1.00 0.00 C ATOM 126 C LEU A 158 -5.097 7.769 3.126 1.00 0.00 C ATOM 127 O LEU A 158 -5.361 7.462 4.292 1.00 0.00 O ATOM 128 CB LEU A 158 -6.085 5.945 1.725 1.00 0.00 C ATOM 129 CG LEU A 158 -6.223 5.343 0.323 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.616 4.705 0.292 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.127 6.398 -0.786 1.00 0.00 C ATOM 0 H LEU A 158 -4.194 4.760 2.754 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.342 7.125 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.230 5.140 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.906 6.648 1.864 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.416 4.634 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.787 4.252 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.682 3.939 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.371 5.470 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.231 5.915 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.922 7.133 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.159 6.897 -0.731 1.00 0.00 H new ATOM 143 N CYS A 159 -5.218 9.035 2.720 1.00 0.00 N ATOM 144 CA CYS A 159 -5.725 10.086 3.594 1.00 0.00 C ATOM 145 C CYS A 159 -7.244 9.926 3.742 1.00 0.00 C ATOM 146 O CYS A 159 -7.994 10.258 2.816 1.00 0.00 O ATOM 147 CB CYS A 159 -5.403 11.451 2.985 1.00 0.00 C ATOM 148 SG CYS A 159 -5.834 12.829 4.085 1.00 0.00 S ATOM 0 H CYS A 159 -4.969 9.355 1.784 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.255 10.012 4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.340 11.498 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.942 11.561 2.044 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.747 13.406 4.504 1.00 0.00 H new ATOM 153 N ARG A 160 -7.747 9.325 4.832 1.00 0.00 N ATOM 154 CA ARG A 160 -9.174 8.968 4.939 1.00 0.00 C ATOM 155 C ARG A 160 -10.039 10.251 5.018 1.00 0.00 C ATOM 156 O ARG A 160 -11.093 10.310 4.394 1.00 0.00 O ATOM 157 CB ARG A 160 -9.401 8.111 6.191 1.00 0.00 C ATOM 158 CG ARG A 160 -8.647 6.774 6.104 1.00 0.00 C ATOM 159 CD ARG A 160 -8.822 5.920 7.367 1.00 0.00 C ATOM 160 NE ARG A 160 -10.224 5.513 7.586 1.00 0.00 N ATOM 161 CZ ARG A 160 -10.865 4.507 7.012 1.00 0.00 C ATOM 162 NH1 ARG A 160 -10.304 3.715 6.135 1.00 0.00 N ATOM 163 NH2 ARG A 160 -12.113 4.269 7.312 1.00 0.00 N ATOM 0 H ARG A 160 -7.191 9.076 5.650 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.464 8.399 4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.071 8.659 7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.467 7.921 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.003 6.215 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.586 6.968 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.197 5.030 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -8.471 6.482 8.233 1.00 0.00 H new ATOM 0 HE ARG A 160 -10.758 6.069 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.331 3.860 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -10.840 2.953 5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -12.596 4.859 7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -12.605 3.493 6.869 1.00 0.00 H new ATOM 177 N PRO A 161 -9.617 11.323 5.742 1.00 0.00 N ATOM 178 CA PRO A 161 -10.374 12.584 5.779 1.00 0.00 C ATOM 179 C PRO A 161 -10.586 13.111 4.340 1.00 0.00 C ATOM 180 O PRO A 161 -11.685 13.566 4.004 1.00 0.00 O ATOM 181 CB PRO A 161 -9.590 13.616 6.593 1.00 0.00 C ATOM 182 CG PRO A 161 -8.731 12.715 7.478 1.00 0.00 C ATOM 183 CD PRO A 161 -8.443 11.501 6.592 1.00 0.00 C ATOM 0 HA PRO A 161 -11.346 12.412 6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -8.986 14.265 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.245 14.261 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.812 13.214 7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.257 12.430 8.389 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.549 11.663 5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.263 10.612 7.197 1.00 0.00 H new ATOM 191 N PHE A 162 -9.585 13.032 3.445 1.00 0.00 N ATOM 192 CA PHE A 162 -9.737 13.495 2.058 1.00 0.00 C ATOM 193 C PHE A 162 -10.656 12.528 1.283 1.00 0.00 C ATOM 194 O PHE A 162 -11.498 12.971 0.508 1.00 0.00 O ATOM 195 CB PHE A 162 -8.360 13.548 1.383 1.00 0.00 C ATOM 196 CG PHE A 162 -8.383 14.190 0.009 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.318 15.591 -0.112 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.490 13.394 -1.148 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.358 16.194 -1.381 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.531 13.996 -2.417 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.465 15.397 -2.535 1.00 0.00 C ATOM 0 H PHE A 162 -8.663 12.652 3.660 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.181 14.490 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.672 14.101 2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -7.968 12.535 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.237 16.205 0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.541 12.319 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.307 17.269 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.613 13.383 -3.303 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.496 15.859 -3.510 1.00 0.00 H new ATOM 211 N GLU A 163 -10.540 11.210 1.462 1.00 0.00 N ATOM 212 CA GLU A 163 -11.412 10.244 0.761 1.00 0.00 C ATOM 213 C GLU A 163 -12.879 10.411 1.243 1.00 0.00 C ATOM 214 O GLU A 163 -13.812 10.154 0.477 1.00 0.00 O ATOM 215 CB GLU A 163 -10.934 8.813 1.060 1.00 0.00 C ATOM 216 CG GLU A 163 -9.618 8.449 0.355 1.00 0.00 C ATOM 217 CD GLU A 163 -9.826 8.214 -1.147 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.211 7.078 -1.515 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.618 9.171 -1.929 1.00 0.00 O ATOM 0 H GLU A 163 -9.855 10.781 2.083 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.364 10.430 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.805 8.699 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.708 8.108 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.893 9.250 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.198 7.552 0.809 1.00 0.00 H new ATOM 226 N GLU A 164 -13.129 10.804 2.500 1.00 0.00 N ATOM 227 CA GLU A 164 -14.503 10.878 3.039 1.00 0.00 C ATOM 228 C GLU A 164 -15.142 12.240 2.684 1.00 0.00 C ATOM 229 O GLU A 164 -16.327 12.291 2.343 1.00 0.00 O ATOM 230 CB GLU A 164 -14.459 10.719 4.571 1.00 0.00 C ATOM 231 CG GLU A 164 -14.178 9.279 5.033 1.00 0.00 C ATOM 232 CD GLU A 164 -15.363 8.344 4.759 1.00 0.00 C ATOM 233 OE1 GLU A 164 -16.306 8.326 5.586 1.00 0.00 O ATOM 234 OE2 GLU A 164 -15.335 7.642 3.717 1.00 0.00 O ATOM 0 H GLU A 164 -12.404 11.076 3.164 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.101 10.079 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.690 11.378 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.411 11.047 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -13.293 8.901 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.955 9.278 6.100 1.00 0.00 H new ATOM 241 N SER A 165 -14.427 13.371 2.814 1.00 0.00 N ATOM 242 CA SER A 165 -15.058 14.719 2.698 1.00 0.00 C ATOM 243 C SER A 165 -14.436 15.502 1.523 1.00 0.00 C ATOM 244 O SER A 165 -14.915 16.589 1.190 1.00 0.00 O ATOM 245 CB SER A 165 -14.841 15.499 4.002 1.00 0.00 C ATOM 246 OG SER A 165 -15.469 14.839 5.094 1.00 0.00 O ATOM 0 H SER A 165 -13.424 13.391 2.997 1.00 0.00 H new ATOM 0 HA SER A 165 -16.125 14.595 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.773 15.600 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.243 16.507 3.900 1.00 0.00 H new ATOM 0 HG SER A 165 -15.318 15.351 5.916 1.00 0.00 H new ATOM 252 N GLY A 166 -13.407 14.986 0.837 1.00 0.00 N ATOM 253 CA GLY A 166 -12.850 15.650 -0.362 1.00 0.00 C ATOM 254 C GLY A 166 -11.981 16.856 0.054 1.00 0.00 C ATOM 255 O GLY A 166 -11.578 17.647 -0.803 1.00 0.00 O ATOM 0 H GLY A 166 -12.941 14.114 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.252 14.941 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.659 15.982 -1.012 1.00 0.00 H new ATOM 259 N THR A 167 -11.686 17.056 1.351 1.00 0.00 N ATOM 260 CA THR A 167 -10.884 18.215 1.806 1.00 0.00 C ATOM 261 C THR A 167 -9.866 17.757 2.852 1.00 0.00 C ATOM 262 O THR A 167 -10.114 16.779 3.568 1.00 0.00 O ATOM 263 CB THR A 167 -11.820 19.274 2.427 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.081 20.439 2.727 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.552 18.843 3.705 1.00 0.00 C ATOM 0 H THR A 167 -11.987 16.436 2.102 1.00 0.00 H new ATOM 0 HA THR A 167 -10.357 18.647 0.955 1.00 0.00 H new ATOM 0 HB THR A 167 -12.587 19.441 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.676 21.112 3.120 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.182 19.660 4.057 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.172 17.972 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.823 18.590 4.474 1.00 0.00 H new ATOM 273 N CYS A 168 -8.714 18.430 3.002 1.00 0.00 N ATOM 274 CA CYS A 168 -7.733 18.075 4.031 1.00 0.00 C ATOM 275 C CYS A 168 -7.066 19.355 4.568 1.00 0.00 C ATOM 276 O CYS A 168 -6.525 20.148 3.785 1.00 0.00 O ATOM 277 CB CYS A 168 -6.669 17.156 3.424 1.00 0.00 C ATOM 278 SG CYS A 168 -5.616 16.555 4.773 1.00 0.00 S ATOM 0 H CYS A 168 -8.442 19.223 2.421 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.234 17.558 4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.138 16.320 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.074 17.696 2.687 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.618 15.255 4.779 1.00 0.00 H new ATOM 283 N LYS A 169 -7.088 19.613 5.882 1.00 0.00 N ATOM 284 CA LYS A 169 -6.536 20.864 6.452 1.00 0.00 C ATOM 285 C LYS A 169 -5.005 20.873 6.322 1.00 0.00 C ATOM 286 O LYS A 169 -4.383 21.930 6.461 1.00 0.00 O ATOM 287 CB LYS A 169 -6.919 20.962 7.940 1.00 0.00 C ATOM 288 CG LYS A 169 -8.425 20.829 8.240 1.00 0.00 C ATOM 289 CD LYS A 169 -8.706 20.792 9.750 1.00 0.00 C ATOM 290 CE LYS A 169 -8.169 19.514 10.416 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.509 19.482 11.854 1.00 0.00 N ATOM 0 H LYS A 169 -7.480 18.977 6.576 1.00 0.00 H new ATOM 0 HA LYS A 169 -6.947 21.714 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.386 20.185 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.571 21.920 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.960 21.666 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.809 19.920 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.252 21.663 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.781 20.862 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.588 18.638 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.087 19.463 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.135 18.610 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.089 20.307 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.543 19.507 11.967 1.00 0.00 H new ATOM 305 N TYR A 170 -4.348 19.739 6.065 1.00 0.00 N ATOM 306 CA TYR A 170 -2.883 19.698 5.938 1.00 0.00 C ATOM 307 C TYR A 170 -2.472 20.066 4.492 1.00 0.00 C ATOM 308 O TYR A 170 -1.347 20.519 4.268 1.00 0.00 O ATOM 309 CB TYR A 170 -2.382 18.293 6.275 1.00 0.00 C ATOM 310 CG TYR A 170 -2.375 18.041 7.770 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.561 17.679 8.440 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.194 18.259 8.503 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.574 17.569 9.843 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.210 18.170 9.905 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.402 17.832 10.582 1.00 0.00 C ATOM 316 OH TYR A 170 -2.432 17.761 11.942 1.00 0.00 O ATOM 0 H TYR A 170 -4.804 18.835 5.940 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.440 20.416 6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.016 17.554 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.375 18.162 5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.461 17.486 7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.275 18.495 7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.482 17.283 10.354 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.308 18.361 10.467 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.544 17.969 12.300 1.00 0.00 H new ATOM 326 N GLY A 171 -3.364 19.948 3.494 1.00 0.00 N ATOM 327 CA GLY A 171 -3.072 20.404 2.119 1.00 0.00 C ATOM 328 C GLY A 171 -1.827 19.679 1.576 1.00 0.00 C ATOM 329 O GLY A 171 -1.705 18.461 1.727 1.00 0.00 O ATOM 0 H GLY A 171 -4.292 19.542 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.928 20.208 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.907 21.481 2.112 1.00 0.00 H new ATOM 333 N GLU A 172 -0.894 20.372 0.911 1.00 0.00 N ATOM 334 CA GLU A 172 0.286 19.721 0.293 1.00 0.00 C ATOM 335 C GLU A 172 1.266 19.250 1.389 1.00 0.00 C ATOM 336 O GLU A 172 2.231 18.540 1.088 1.00 0.00 O ATOM 337 CB GLU A 172 0.999 20.726 -0.632 1.00 0.00 C ATOM 338 CG GLU A 172 0.142 21.236 -1.803 1.00 0.00 C ATOM 339 CD GLU A 172 -0.279 20.106 -2.752 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.537 19.740 -3.633 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.418 19.599 -2.599 1.00 0.00 O ATOM 0 H GLU A 172 -0.926 21.383 0.783 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.045 18.858 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.324 21.580 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.897 20.257 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.748 21.729 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.703 21.986 -2.361 1.00 0.00 H new ATOM 348 N LYS A 173 1.049 19.582 2.674 1.00 0.00 N ATOM 349 CA LYS A 173 1.925 19.112 3.768 1.00 0.00 C ATOM 350 C LYS A 173 1.337 17.835 4.395 1.00 0.00 C ATOM 351 O LYS A 173 1.926 17.281 5.328 1.00 0.00 O ATOM 352 CB LYS A 173 2.039 20.206 4.846 1.00 0.00 C ATOM 353 CG LYS A 173 2.742 21.481 4.355 1.00 0.00 C ATOM 354 CD LYS A 173 2.746 22.529 5.474 1.00 0.00 C ATOM 355 CE LYS A 173 3.560 23.761 5.074 1.00 0.00 C ATOM 356 NZ LYS A 173 3.454 24.817 6.101 1.00 0.00 N ATOM 0 H LYS A 173 0.277 20.173 2.983 1.00 0.00 H new ATOM 0 HA LYS A 173 2.914 18.894 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.040 20.464 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.584 19.807 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.764 21.252 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.231 21.875 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 173 1.722 22.825 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.163 22.094 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.605 23.483 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 173 3.205 24.142 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 4.014 25.643 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 2.458 25.095 6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 3.815 24.457 7.007 1.00 0.00 H new ATOM 370 N CYS A 174 0.194 17.313 3.917 1.00 0.00 N ATOM 371 CA CYS A 174 -0.391 16.092 4.468 1.00 0.00 C ATOM 372 C CYS A 174 0.545 14.905 4.193 1.00 0.00 C ATOM 373 O CYS A 174 0.951 14.685 3.045 1.00 0.00 O ATOM 374 CB CYS A 174 -1.752 15.836 3.818 1.00 0.00 C ATOM 375 SG CYS A 174 -2.552 14.474 4.705 1.00 0.00 S ATOM 0 H CYS A 174 -0.339 17.723 3.150 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.522 16.207 5.544 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.369 16.733 3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.629 15.584 2.765 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.715 14.862 5.137 1.00 0.00 H new ATOM 380 N GLN A 175 0.945 14.136 5.207 1.00 0.00 N ATOM 381 CA GLN A 175 1.877 13.023 5.022 1.00 0.00 C ATOM 382 C GLN A 175 1.112 11.771 4.523 1.00 0.00 C ATOM 383 O GLN A 175 1.686 10.687 4.474 1.00 0.00 O ATOM 384 CB GLN A 175 2.566 12.705 6.360 1.00 0.00 C ATOM 385 CG GLN A 175 3.598 13.765 6.767 1.00 0.00 C ATOM 386 CD GLN A 175 4.645 13.178 7.716 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.659 12.626 7.303 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.458 13.268 9.014 1.00 0.00 N ATOM 0 H GLN A 175 0.636 14.265 6.170 1.00 0.00 H new ATOM 0 HA GLN A 175 2.627 13.302 4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.810 12.622 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.058 11.735 6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 175 4.089 14.159 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.093 14.602 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.621 13.723 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.150 12.883 9.657 1.00 0.00 H new ATOM 397 N PHE A 176 -0.175 11.869 4.152 1.00 0.00 N ATOM 398 CA PHE A 176 -0.963 10.692 3.718 1.00 0.00 C ATOM 399 C PHE A 176 -1.411 10.875 2.253 1.00 0.00 C ATOM 400 O PHE A 176 -1.348 11.987 1.720 1.00 0.00 O ATOM 401 CB PHE A 176 -2.193 10.537 4.624 1.00 0.00 C ATOM 402 CG PHE A 176 -1.832 10.133 6.047 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.399 11.095 6.982 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.881 8.779 6.423 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.021 10.705 8.282 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.501 8.386 7.719 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.084 9.351 8.651 1.00 0.00 C ATOM 0 H PHE A 176 -0.695 12.746 4.142 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.346 9.796 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.742 11.478 4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.861 9.789 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.357 12.137 6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.212 8.036 5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.684 11.445 8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.530 7.343 7.997 1.00 0.00 H new ATOM 0 HZ PHE A 176 -0.812 9.052 9.652 1.00 0.00 H new ATOM 417 N ALA A 177 -1.787 9.809 1.539 1.00 0.00 N ATOM 418 CA ALA A 177 -2.027 9.880 0.089 1.00 0.00 C ATOM 419 C ALA A 177 -3.403 10.519 -0.188 1.00 0.00 C ATOM 420 O ALA A 177 -4.433 9.937 0.161 1.00 0.00 O ATOM 421 CB ALA A 177 -1.995 8.464 -0.497 1.00 0.00 C ATOM 0 H ALA A 177 -1.933 8.883 1.941 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.252 10.490 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.172 8.511 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.020 8.015 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.770 7.858 -0.027 1.00 0.00 H new ATOM 427 N HIS A 178 -3.481 11.650 -0.901 1.00 0.00 N ATOM 428 CA HIS A 178 -4.772 12.193 -1.360 1.00 0.00 C ATOM 429 C HIS A 178 -5.196 11.485 -2.665 1.00 0.00 C ATOM 430 O HIS A 178 -6.392 11.393 -2.953 1.00 0.00 O ATOM 431 CB HIS A 178 -4.636 13.707 -1.613 1.00 0.00 C ATOM 432 CG HIS A 178 -4.441 14.547 -0.370 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.137 15.891 -0.332 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.595 14.134 0.925 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.112 16.271 0.959 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.391 15.230 1.758 1.00 0.00 N ATOM 0 H HIS A 178 -2.671 12.207 -1.173 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.529 12.022 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.792 13.874 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.529 14.055 -2.132 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.834 13.131 1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -3.898 17.272 1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.443 15.240 2.777 1.00 0.00 H new ATOM 444 N GLY A 179 -4.266 10.936 -3.461 1.00 0.00 N ATOM 445 CA GLY A 179 -4.620 10.163 -4.666 1.00 0.00 C ATOM 446 C GLY A 179 -3.934 8.794 -4.622 1.00 0.00 C ATOM 447 O GLY A 179 -2.795 8.689 -4.158 1.00 0.00 O ATOM 0 H GLY A 179 -3.263 11.012 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.701 10.037 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.314 10.705 -5.561 1.00 0.00 H new ATOM 724 N GLU A 195 3.375 -16.334 10.368 1.00 0.00 N ATOM 725 CA GLU A 195 2.911 -17.005 11.603 1.00 0.00 C ATOM 726 C GLU A 195 1.496 -16.511 11.962 1.00 0.00 C ATOM 727 O GLU A 195 1.151 -15.361 11.678 1.00 0.00 O ATOM 728 CB GLU A 195 3.875 -16.675 12.759 1.00 0.00 C ATOM 729 CG GLU A 195 5.086 -17.610 12.835 1.00 0.00 C ATOM 730 CD GLU A 195 4.685 -19.037 13.239 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.079 -19.195 14.326 1.00 0.00 O ATOM 732 OE2 GLU A 195 4.975 -19.971 12.458 1.00 0.00 O ATOM 0 HA GLU A 195 2.888 -18.083 11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.225 -15.649 12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.329 -16.724 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.587 -17.634 11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.803 -17.217 13.556 1.00 0.00 H new ATOM 739 N LEU A 196 0.650 -17.330 12.608 1.00 0.00 N ATOM 740 CA LEU A 196 -0.703 -16.904 13.012 1.00 0.00 C ATOM 741 C LEU A 196 -0.604 -15.772 14.047 1.00 0.00 C ATOM 742 O LEU A 196 0.154 -15.884 15.017 1.00 0.00 O ATOM 743 CB LEU A 196 -1.454 -18.101 13.630 1.00 0.00 C ATOM 744 CG LEU A 196 -1.624 -19.326 12.711 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.426 -20.403 13.442 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.338 -18.994 11.399 1.00 0.00 C ATOM 0 H LEU A 196 0.878 -18.291 12.862 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.244 -16.545 12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -0.924 -18.415 14.529 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.442 -17.764 13.944 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.622 -19.676 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.547 -21.270 12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.897 -20.699 14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.407 -20.009 13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.428 -19.897 10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.332 -18.602 11.615 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.764 -18.247 10.851 1.00 0.00 H new ATOM 758 N CYS A 197 -1.370 -14.690 13.915 1.00 0.00 N ATOM 759 CA CYS A 197 -1.385 -13.621 14.912 1.00 0.00 C ATOM 760 C CYS A 197 -2.006 -14.139 16.217 1.00 0.00 C ATOM 761 O CYS A 197 -3.187 -14.503 16.244 1.00 0.00 O ATOM 762 CB CYS A 197 -2.202 -12.439 14.378 1.00 0.00 C ATOM 763 SG CYS A 197 -2.264 -11.048 15.542 1.00 0.00 S ATOM 0 H CYS A 197 -1.992 -14.530 13.122 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.364 -13.293 15.110 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.770 -12.100 13.436 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.217 -12.772 14.162 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.764 -9.988 14.979 1.00 0.00 H new ATOM 768 N ARG A 198 -1.248 -14.219 17.315 1.00 0.00 N ATOM 769 CA ARG A 198 -1.762 -14.744 18.602 1.00 0.00 C ATOM 770 C ARG A 198 -2.982 -13.934 19.043 1.00 0.00 C ATOM 771 O ARG A 198 -4.006 -14.514 19.388 1.00 0.00 O ATOM 772 CB ARG A 198 -0.662 -14.649 19.679 1.00 0.00 C ATOM 773 CG ARG A 198 0.630 -15.447 19.435 1.00 0.00 C ATOM 774 CD ARG A 198 0.431 -16.942 19.135 1.00 0.00 C ATOM 775 NE ARG A 198 0.662 -17.243 17.707 1.00 0.00 N ATOM 776 CZ ARG A 198 1.560 -18.068 17.188 1.00 0.00 C ATOM 777 NH1 ARG A 198 2.321 -18.852 17.907 1.00 0.00 N ATOM 778 NH2 ARG A 198 1.728 -18.113 15.896 1.00 0.00 N ATOM 0 H ARG A 198 -0.271 -13.928 17.347 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.051 -15.787 18.472 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.394 -13.599 19.796 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.088 -14.977 20.627 1.00 0.00 H new ATOM 0 HG2 ARG A 198 1.166 -14.994 18.601 1.00 0.00 H new ATOM 0 HG3 ARG A 198 1.268 -15.351 20.313 1.00 0.00 H new ATOM 0 HD2 ARG A 198 1.114 -17.531 19.747 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.581 -17.238 19.411 1.00 0.00 H new ATOM 0 HE ARG A 198 0.059 -16.759 17.042 1.00 0.00 H new ATOM 0 HH11 ARG A 198 2.240 -18.849 18.924 1.00 0.00 H new ATOM 0 HH12 ARG A 198 2.995 -19.467 17.451 1.00 0.00 H new ATOM 0 HH21 ARG A 198 1.169 -17.514 15.288 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.418 -18.747 15.493 1.00 0.00 H new ATOM 792 N THR A 199 -2.932 -12.598 19.056 1.00 0.00 N ATOM 793 CA THR A 199 -4.082 -11.770 19.490 1.00 0.00 C ATOM 794 C THR A 199 -5.318 -12.094 18.631 1.00 0.00 C ATOM 795 O THR A 199 -6.389 -12.359 19.180 1.00 0.00 O ATOM 796 CB THR A 199 -3.729 -10.275 19.343 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.413 -10.034 19.807 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.645 -9.376 20.173 1.00 0.00 C ATOM 0 H THR A 199 -2.113 -12.060 18.773 1.00 0.00 H new ATOM 0 HA THR A 199 -4.305 -11.990 20.534 1.00 0.00 H new ATOM 0 HB THR A 199 -3.840 -10.044 18.284 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.200 -9.083 19.707 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.355 -8.334 20.035 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.677 -9.511 19.850 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.557 -9.640 21.227 1.00 0.00 H new ATOM 806 N PHE A 200 -5.226 -12.129 17.297 1.00 0.00 N ATOM 807 CA PHE A 200 -6.404 -12.386 16.443 1.00 0.00 C ATOM 808 C PHE A 200 -6.900 -13.839 16.649 1.00 0.00 C ATOM 809 O PHE A 200 -8.107 -14.071 16.707 1.00 0.00 O ATOM 810 CB PHE A 200 -6.030 -12.171 14.971 1.00 0.00 C ATOM 811 CG PHE A 200 -7.216 -12.164 14.028 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.902 -10.961 13.777 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.638 -13.354 13.403 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.009 -10.947 12.910 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.745 -13.340 12.537 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.431 -12.137 12.290 1.00 0.00 C ATOM 0 H PHE A 200 -4.357 -11.984 16.783 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.202 -11.696 16.718 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.498 -11.224 14.877 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.339 -12.956 14.664 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.577 -10.047 14.251 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.110 -14.278 13.589 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.535 -10.023 12.720 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.069 -14.254 12.061 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.282 -12.127 11.624 1.00 0.00 H new ATOM 826 N HIS A 201 -6.024 -14.832 16.781 1.00 0.00 N ATOM 827 CA HIS A 201 -6.454 -16.246 16.943 1.00 0.00 C ATOM 828 C HIS A 201 -6.808 -16.534 18.434 1.00 0.00 C ATOM 829 O HIS A 201 -7.308 -17.619 18.744 1.00 0.00 O ATOM 830 CB HIS A 201 -5.320 -17.180 16.487 1.00 0.00 C ATOM 831 CG HIS A 201 -5.288 -17.278 14.975 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.810 -18.340 14.232 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.915 -16.285 14.115 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.737 -17.964 12.943 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.206 -16.733 12.845 1.00 0.00 N ATOM 0 H HIS A 201 -5.013 -14.699 16.781 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.340 -16.422 16.333 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.364 -16.806 16.853 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.461 -18.171 16.919 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.477 -15.334 14.379 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.059 -18.565 12.106 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.046 -16.219 11.979 1.00 0.00 H new ATOM 843 N THR A 202 -6.632 -15.584 19.366 1.00 0.00 N ATOM 844 CA THR A 202 -7.027 -15.787 20.793 1.00 0.00 C ATOM 845 C THR A 202 -8.215 -14.877 21.141 1.00 0.00 C ATOM 846 O THR A 202 -9.286 -15.376 21.493 1.00 0.00 O ATOM 847 CB THR A 202 -5.835 -15.459 21.716 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.736 -16.288 21.409 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.153 -15.690 23.196 1.00 0.00 C ATOM 0 H THR A 202 -6.223 -14.670 19.172 1.00 0.00 H new ATOM 0 HA THR A 202 -7.319 -16.827 20.937 1.00 0.00 H new ATOM 0 HB THR A 202 -5.612 -14.405 21.549 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.231 -15.900 20.664 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.279 -15.443 23.799 1.00 0.00 H new ATOM 0 HG22 THR A 202 -6.989 -15.056 23.492 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.418 -16.736 23.352 1.00 0.00 H new ATOM 857 N ILE A 203 -8.088 -13.546 21.068 1.00 0.00 N ATOM 858 CA ILE A 203 -9.198 -12.632 21.427 1.00 0.00 C ATOM 859 C ILE A 203 -10.225 -12.580 20.271 1.00 0.00 C ATOM 860 O ILE A 203 -11.325 -12.052 20.447 1.00 0.00 O ATOM 861 CB ILE A 203 -8.636 -11.201 21.690 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.275 -11.214 22.434 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.658 -10.404 22.529 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.772 -9.860 22.954 1.00 0.00 C ATOM 0 H ILE A 203 -7.236 -13.073 20.766 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.688 -12.999 22.329 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.471 -10.735 20.718 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.354 -11.898 23.279 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.521 -11.624 21.762 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.272 -9.402 22.717 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.600 -10.334 21.985 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -9.825 -10.913 23.479 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -5.814 -9.996 23.455 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.650 -9.172 22.118 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.495 -9.450 23.659 1.00 0.00 H new ATOM 876 N GLY A 204 -9.908 -13.091 19.070 1.00 0.00 N ATOM 877 CA GLY A 204 -10.792 -12.944 17.900 1.00 0.00 C ATOM 878 C GLY A 204 -10.600 -11.547 17.280 1.00 0.00 C ATOM 879 O GLY A 204 -11.315 -11.184 16.342 1.00 0.00 O ATOM 0 H GLY A 204 -9.049 -13.608 18.883 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.567 -13.714 17.162 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -11.832 -13.081 18.197 1.00 0.00 H new ATOM 883 N PHE A 205 -9.671 -10.719 17.784 1.00 0.00 N ATOM 884 CA PHE A 205 -9.485 -9.350 17.288 1.00 0.00 C ATOM 885 C PHE A 205 -8.001 -8.957 17.412 1.00 0.00 C ATOM 886 O PHE A 205 -7.255 -9.598 18.152 1.00 0.00 O ATOM 887 CB PHE A 205 -10.346 -8.385 18.128 1.00 0.00 C ATOM 888 CG PHE A 205 -10.122 -6.902 17.882 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.247 -6.378 16.583 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.732 -6.055 18.938 1.00 0.00 C ATOM 891 CE1 PHE A 205 -9.991 -5.017 16.337 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.473 -4.693 18.693 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.604 -4.174 17.394 1.00 0.00 C ATOM 0 H PHE A 205 -9.035 -10.978 18.538 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.787 -9.294 16.242 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.396 -8.609 17.939 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.161 -8.590 19.183 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.541 -7.024 15.769 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.631 -6.451 19.938 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.092 -4.620 15.338 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.173 -4.046 19.505 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.408 -3.129 17.207 1.00 0.00 H new ATOM 903 N CYS A 206 -7.537 -7.887 16.749 1.00 0.00 N ATOM 904 CA CYS A 206 -6.159 -7.415 16.898 1.00 0.00 C ATOM 905 C CYS A 206 -6.127 -5.876 16.758 1.00 0.00 C ATOM 906 O CYS A 206 -6.685 -5.331 15.797 1.00 0.00 O ATOM 907 CB CYS A 206 -5.287 -8.049 15.818 1.00 0.00 C ATOM 908 SG CYS A 206 -3.558 -7.531 15.991 1.00 0.00 S ATOM 0 H CYS A 206 -8.100 -7.333 16.104 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.778 -7.696 17.880 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.353 -9.135 15.883 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.658 -7.766 14.833 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.790 -8.580 16.010 1.00 0.00 H new ATOM 913 N PRO A 207 -5.499 -5.129 17.690 1.00 0.00 N ATOM 914 CA PRO A 207 -5.521 -3.667 17.667 1.00 0.00 C ATOM 915 C PRO A 207 -4.655 -3.141 16.505 1.00 0.00 C ATOM 916 O PRO A 207 -4.709 -1.949 16.191 1.00 0.00 O ATOM 917 CB PRO A 207 -4.973 -3.145 18.995 1.00 0.00 C ATOM 918 CG PRO A 207 -4.092 -4.317 19.440 1.00 0.00 C ATOM 919 CD PRO A 207 -4.793 -5.565 18.886 1.00 0.00 C ATOM 0 HA PRO A 207 -6.544 -3.320 17.524 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.401 -2.225 18.870 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.766 -2.932 19.712 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.080 -4.224 19.046 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.008 -4.359 20.526 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.070 -6.346 18.650 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.485 -5.981 19.618 1.00 0.00 H new ATOM 927 N TYR A 208 -3.874 -3.987 15.808 1.00 0.00 N ATOM 928 CA TYR A 208 -3.087 -3.540 14.645 1.00 0.00 C ATOM 929 C TYR A 208 -3.954 -3.608 13.372 1.00 0.00 C ATOM 930 O TYR A 208 -3.641 -2.949 12.376 1.00 0.00 O ATOM 931 CB TYR A 208 -1.855 -4.440 14.478 1.00 0.00 C ATOM 932 CG TYR A 208 -0.764 -4.247 15.515 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.908 -4.765 16.818 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.411 -3.556 15.166 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.107 -4.570 17.777 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.426 -3.361 16.118 1.00 0.00 C ATOM 937 CZ TYR A 208 1.279 -3.866 17.427 1.00 0.00 C ATOM 938 OH TYR A 208 2.271 -3.679 18.340 1.00 0.00 O ATOM 0 H TYR A 208 -3.772 -4.978 16.028 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.764 -2.511 14.805 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.179 -5.480 14.506 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.429 -4.265 13.490 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.800 -5.314 17.083 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.533 -3.174 14.163 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.012 -4.959 18.778 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.322 -2.823 15.847 1.00 0.00 H new ATOM 0 HH TYR A 208 3.004 -3.175 17.928 1.00 0.00 H new ATOM 948 N GLY A 209 -5.081 -4.337 13.370 1.00 0.00 N ATOM 949 CA GLY A 209 -5.997 -4.363 12.218 1.00 0.00 C ATOM 950 C GLY A 209 -5.241 -4.824 10.951 1.00 0.00 C ATOM 951 O GLY A 209 -4.438 -5.760 11.019 1.00 0.00 O ATOM 0 H GLY A 209 -5.380 -4.917 14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.829 -5.037 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.421 -3.372 12.058 1.00 0.00 H new ATOM 955 N PRO A 210 -5.476 -4.217 9.770 1.00 0.00 N ATOM 956 CA PRO A 210 -4.862 -4.669 8.521 1.00 0.00 C ATOM 957 C PRO A 210 -3.349 -4.329 8.518 1.00 0.00 C ATOM 958 O PRO A 210 -2.608 -4.830 7.668 1.00 0.00 O ATOM 959 CB PRO A 210 -5.548 -3.966 7.351 1.00 0.00 C ATOM 960 CG PRO A 210 -6.072 -2.695 8.031 1.00 0.00 C ATOM 961 CD PRO A 210 -6.382 -3.116 9.475 1.00 0.00 C ATOM 0 HA PRO A 210 -4.979 -5.749 8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.854 -3.743 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.352 -4.566 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.329 -1.898 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.963 -2.318 7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.228 -2.287 10.166 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.422 -3.427 9.577 1.00 0.00 H new ATOM 969 N ARG A 211 -2.841 -3.496 9.451 1.00 0.00 N ATOM 970 CA ARG A 211 -1.402 -3.139 9.489 1.00 0.00 C ATOM 971 C ARG A 211 -0.616 -4.209 10.282 1.00 0.00 C ATOM 972 O ARG A 211 0.598 -4.073 10.460 1.00 0.00 O ATOM 973 CB ARG A 211 -1.229 -1.766 10.170 1.00 0.00 C ATOM 974 CG ARG A 211 -1.965 -0.612 9.468 1.00 0.00 C ATOM 975 CD ARG A 211 -1.611 0.714 10.155 1.00 0.00 C ATOM 976 NE ARG A 211 -2.335 1.856 9.569 1.00 0.00 N ATOM 977 CZ ARG A 211 -2.355 3.088 10.052 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.669 3.443 11.107 1.00 0.00 N ATOM 979 NH2 ARG A 211 -3.082 4.004 9.472 1.00 0.00 N ATOM 0 H ARG A 211 -3.399 -3.059 10.184 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.018 -3.092 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.585 -1.836 11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.166 -1.528 10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.685 -0.575 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -3.042 -0.777 9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -1.845 0.644 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -0.538 0.887 10.075 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.867 1.682 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -1.089 2.759 11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.714 4.404 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.634 3.770 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -3.098 4.954 9.844 1.00 0.00 H new ATOM 993 N CYS A 212 -1.259 -5.272 10.796 1.00 0.00 N ATOM 994 CA CYS A 212 -0.570 -6.287 11.602 1.00 0.00 C ATOM 995 C CYS A 212 0.429 -7.067 10.720 1.00 0.00 C ATOM 996 O CYS A 212 0.139 -7.346 9.550 1.00 0.00 O ATOM 997 CB CYS A 212 -1.598 -7.254 12.191 1.00 0.00 C ATOM 998 SG CYS A 212 -0.804 -8.241 13.489 1.00 0.00 S ATOM 0 H CYS A 212 -2.255 -5.448 10.666 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.026 -5.797 12.410 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.443 -6.701 12.602 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.992 -7.905 11.411 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.452 -8.091 14.606 1.00 0.00 H new ATOM 1003 N HIS A 213 1.601 -7.453 11.233 1.00 0.00 N ATOM 1004 CA HIS A 213 2.606 -8.180 10.439 1.00 0.00 C ATOM 1005 C HIS A 213 2.408 -9.703 10.606 1.00 0.00 C ATOM 1006 O HIS A 213 3.282 -10.480 10.215 1.00 0.00 O ATOM 1007 CB HIS A 213 4.018 -7.789 10.921 1.00 0.00 C ATOM 1008 CG HIS A 213 4.433 -6.396 10.506 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.437 -6.096 9.578 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.898 -5.231 10.971 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.486 -4.755 9.514 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.569 -4.211 10.333 1.00 0.00 N ATOM 0 H HIS A 213 1.881 -7.275 12.197 1.00 0.00 H new ATOM 0 HA HIS A 213 2.491 -7.918 9.387 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.055 -7.862 12.008 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.739 -8.506 10.528 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.105 -5.128 11.696 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.167 -4.193 8.892 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.399 -3.213 10.460 1.00 0.00 H new ATOM 1020 N PHE A 214 1.285 -10.181 11.181 1.00 0.00 N ATOM 1021 CA PHE A 214 1.074 -11.628 11.405 1.00 0.00 C ATOM 1022 C PHE A 214 -0.278 -12.068 10.774 1.00 0.00 C ATOM 1023 O PHE A 214 -1.128 -11.222 10.482 1.00 0.00 O ATOM 1024 CB PHE A 214 1.063 -11.913 12.912 1.00 0.00 C ATOM 1025 CG PHE A 214 2.421 -11.658 13.548 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.779 -10.366 13.984 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.353 -12.706 13.652 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.065 -10.125 14.502 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.635 -12.468 14.181 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.994 -11.175 14.598 1.00 0.00 C ATOM 0 H PHE A 214 0.515 -9.592 11.497 1.00 0.00 H new ATOM 0 HA PHE A 214 1.882 -12.189 10.936 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.313 -11.286 13.394 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.771 -12.949 13.083 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.064 -9.559 13.920 1.00 0.00 H new ATOM 0 HD2 PHE A 214 3.083 -13.699 13.324 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.338 -9.132 14.826 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.343 -13.279 14.267 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.982 -10.989 14.992 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.486 -13.364 10.479 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.674 -13.821 9.712 1.00 0.00 C ATOM 1042 C ILE A 215 -2.943 -13.654 10.562 1.00 0.00 C ATOM 1043 O ILE A 215 -3.066 -14.277 11.619 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.504 -15.316 9.327 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.235 -15.581 8.491 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.746 -15.800 8.544 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.117 -17.068 8.345 1.00 0.00 C ATOM 0 H ILE A 215 0.146 -14.115 10.756 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.765 -13.219 8.808 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.399 -15.872 10.259 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.370 -15.151 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.606 -15.063 8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.621 -16.849 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.635 -15.687 9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.859 -15.205 7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.021 -17.171 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.286 -17.501 9.331 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.705 -17.590 7.856 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.941 -12.893 10.110 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.236 -12.807 10.800 1.00 0.00 C ATOM 1061 C HIS A 216 -6.185 -13.903 10.258 1.00 0.00 C ATOM 1062 O HIS A 216 -6.126 -15.047 10.716 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.855 -11.414 10.560 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.249 -10.327 11.409 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.701 -9.030 11.493 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.230 -10.469 12.314 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.977 -8.412 12.442 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.088 -9.258 12.980 1.00 0.00 N ATOM 0 H HIS A 216 -3.880 -12.324 9.266 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.090 -12.956 11.870 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.737 -11.150 9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.926 -11.463 10.758 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.644 -11.361 12.480 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.095 -7.378 12.731 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.433 -9.052 13.734 1.00 0.00 H new