USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=15 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 120:sc= 0.798 USER MOD Set 1.2: A 206 CYS SG : rot 127:sc= 0.491 USER MOD Set 1.3: A 212 CYS SG : rot 125:sc= 0.493 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.9 X(o=0.88,f=0.69) USER MOD Set 2.1: A 159 CYS SG : rot 121:sc= 0.601 USER MOD Set 2.2: A 168 CYS SG : rot 121:sc= 0.432 USER MOD Set 2.3: A 174 CYS SG : rot -130:sc= 0.497 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.357 K(o=1.2,f=0.28) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -174:sc= 0 (180deg=-0.0272) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00603) USER MOD Single : A 175 GLN : amide:sc= 0.941 K(o=0.94,f=-0.021) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= 0.329 K(o=0.33,f=-1.2) USER MOD Single : A 202 THR OG1 : rot 100:sc= 1.19 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.738 8.733 2.731 1.00 0.00 N ATOM 74 CA LYS A 155 1.786 8.460 1.614 1.00 0.00 C ATOM 75 C LYS A 155 1.771 6.946 1.275 1.00 0.00 C ATOM 76 O LYS A 155 1.493 6.575 0.137 1.00 0.00 O ATOM 77 CB LYS A 155 2.200 9.283 0.363 1.00 0.00 C ATOM 78 CG LYS A 155 2.029 10.772 0.726 1.00 0.00 C ATOM 79 CD LYS A 155 1.909 11.719 -0.469 1.00 0.00 C ATOM 80 CE LYS A 155 1.538 13.112 0.055 1.00 0.00 C ATOM 81 NZ LYS A 155 1.512 14.119 -1.024 1.00 0.00 N ATOM 0 HA LYS A 155 0.783 8.755 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.232 9.070 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.579 9.021 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.139 10.879 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.880 11.083 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.850 11.758 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.149 11.360 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.561 13.070 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.255 13.416 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.257 15.046 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.451 14.178 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.809 13.843 -1.739 1.00 0.00 H new ATOM 95 N THR A 156 1.967 6.045 2.240 1.00 0.00 N ATOM 96 CA THR A 156 1.747 4.589 2.015 1.00 0.00 C ATOM 97 C THR A 156 0.295 4.229 2.341 1.00 0.00 C ATOM 98 O THR A 156 -0.144 3.116 2.044 1.00 0.00 O ATOM 99 CB THR A 156 2.685 3.776 2.914 1.00 0.00 C ATOM 100 OG1 THR A 156 2.478 4.031 4.293 1.00 0.00 O ATOM 101 CG2 THR A 156 4.154 3.983 2.558 1.00 0.00 C ATOM 0 H THR A 156 2.275 6.282 3.183 1.00 0.00 H new ATOM 0 HA THR A 156 1.954 4.356 0.971 1.00 0.00 H new ATOM 0 HB THR A 156 2.432 2.733 2.725 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.098 3.488 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 156 4.777 3.386 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.325 3.675 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.410 5.037 2.669 1.00 0.00 H new ATOM 109 N GLU A 157 -0.502 5.135 2.934 1.00 0.00 N ATOM 110 CA GLU A 157 -1.904 4.844 3.283 1.00 0.00 C ATOM 111 C GLU A 157 -2.810 5.974 2.772 1.00 0.00 C ATOM 112 O GLU A 157 -2.375 7.130 2.691 1.00 0.00 O ATOM 113 CB GLU A 157 -2.034 4.726 4.807 1.00 0.00 C ATOM 114 CG GLU A 157 -3.356 4.106 5.265 1.00 0.00 C ATOM 115 CD GLU A 157 -3.402 3.900 6.785 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.422 3.342 7.341 1.00 0.00 O ATOM 117 OE2 GLU A 157 -4.434 4.285 7.386 1.00 0.00 O ATOM 0 H GLU A 157 -0.199 6.077 3.182 1.00 0.00 H new ATOM 0 HA GLU A 157 -2.207 3.906 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.209 4.124 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.935 5.717 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -4.182 4.750 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.499 3.148 4.765 1.00 0.00 H new ATOM 124 N LEU A 158 -4.059 5.693 2.370 1.00 0.00 N ATOM 125 CA LEU A 158 -4.948 6.715 1.794 1.00 0.00 C ATOM 126 C LEU A 158 -5.307 7.764 2.858 1.00 0.00 C ATOM 127 O LEU A 158 -5.631 7.405 3.994 1.00 0.00 O ATOM 128 CB LEU A 158 -6.234 6.045 1.294 1.00 0.00 C ATOM 129 CG LEU A 158 -6.121 5.217 0.009 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.381 4.354 -0.077 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.010 6.117 -1.226 1.00 0.00 C ATOM 0 H LEU A 158 -4.477 4.765 2.433 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.436 7.205 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.610 5.397 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.983 6.821 1.135 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.221 4.602 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.344 3.745 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.437 3.704 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.261 4.997 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.931 5.499 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.896 6.748 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.123 6.745 -1.140 1.00 0.00 H new ATOM 143 N CYS A 159 -5.398 9.052 2.507 1.00 0.00 N ATOM 144 CA CYS A 159 -5.940 10.067 3.405 1.00 0.00 C ATOM 145 C CYS A 159 -7.470 9.955 3.422 1.00 0.00 C ATOM 146 O CYS A 159 -8.134 10.367 2.460 1.00 0.00 O ATOM 147 CB CYS A 159 -5.527 11.455 2.911 1.00 0.00 C ATOM 148 SG CYS A 159 -6.002 12.783 4.053 1.00 0.00 S ATOM 0 H CYS A 159 -5.100 9.413 1.601 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.553 9.916 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.447 11.477 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.983 11.639 1.938 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.940 13.433 4.429 1.00 0.00 H new ATOM 153 N ARG A 160 -8.078 9.311 4.430 1.00 0.00 N ATOM 154 CA ARG A 160 -9.517 8.988 4.395 1.00 0.00 C ATOM 155 C ARG A 160 -10.358 10.283 4.561 1.00 0.00 C ATOM 156 O ARG A 160 -11.377 10.433 3.891 1.00 0.00 O ATOM 157 CB ARG A 160 -9.853 8.000 5.524 1.00 0.00 C ATOM 158 CG ARG A 160 -8.913 6.783 5.523 1.00 0.00 C ATOM 159 CD ARG A 160 -9.255 5.779 6.627 1.00 0.00 C ATOM 160 NE ARG A 160 -8.181 4.779 6.771 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.998 3.682 6.057 1.00 0.00 C ATOM 162 NH1 ARG A 160 -8.836 3.287 5.133 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.941 2.943 6.260 1.00 0.00 N ATOM 0 H ARG A 160 -7.600 9.004 5.277 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.756 8.532 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.784 8.510 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.884 7.662 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.968 6.286 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.885 7.122 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -9.399 6.304 7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -10.195 5.280 6.393 1.00 0.00 H new ATOM 0 HE ARG A 160 -7.499 4.955 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.675 3.834 4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -8.651 2.432 4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -6.259 3.213 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -6.798 2.096 5.710 1.00 0.00 H new ATOM 177 N PRO A 161 -9.949 11.272 5.406 1.00 0.00 N ATOM 178 CA PRO A 161 -10.679 12.546 5.529 1.00 0.00 C ATOM 179 C PRO A 161 -10.829 13.200 4.137 1.00 0.00 C ATOM 180 O PRO A 161 -11.903 13.715 3.809 1.00 0.00 O ATOM 181 CB PRO A 161 -9.901 13.482 6.455 1.00 0.00 C ATOM 182 CG PRO A 161 -9.091 12.494 7.288 1.00 0.00 C ATOM 183 CD PRO A 161 -8.812 11.339 6.324 1.00 0.00 C ATOM 0 HA PRO A 161 -11.670 12.360 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.262 14.169 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.563 14.090 7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.167 12.942 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.648 12.158 8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.884 11.507 5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.698 10.401 6.867 1.00 0.00 H new ATOM 191 N PHE A 162 -9.796 13.177 3.272 1.00 0.00 N ATOM 192 CA PHE A 162 -9.888 13.768 1.929 1.00 0.00 C ATOM 193 C PHE A 162 -10.859 12.940 1.058 1.00 0.00 C ATOM 194 O PHE A 162 -11.670 13.510 0.334 1.00 0.00 O ATOM 195 CB PHE A 162 -8.495 13.780 1.282 1.00 0.00 C ATOM 196 CG PHE A 162 -8.449 14.461 -0.069 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.433 15.867 -0.145 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.430 13.697 -1.251 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.404 16.506 -1.398 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.399 14.335 -2.504 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.387 15.740 -2.578 1.00 0.00 C ATOM 0 H PHE A 162 -8.891 12.756 3.482 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.262 14.789 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.798 14.281 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.148 12.753 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.443 16.456 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.439 12.618 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.395 17.585 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.384 13.746 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.365 16.230 -3.540 1.00 0.00 H new ATOM 211 N GLU A 163 -10.827 11.606 1.107 1.00 0.00 N ATOM 212 CA GLU A 163 -11.767 10.767 0.324 1.00 0.00 C ATOM 213 C GLU A 163 -13.218 10.981 0.835 1.00 0.00 C ATOM 214 O GLU A 163 -14.169 10.830 0.064 1.00 0.00 O ATOM 215 CB GLU A 163 -11.386 9.291 0.483 1.00 0.00 C ATOM 216 CG GLU A 163 -10.082 8.913 -0.224 1.00 0.00 C ATOM 217 CD GLU A 163 -9.846 7.408 -0.086 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.623 6.952 1.062 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.913 6.707 -1.124 1.00 0.00 O ATOM 0 H GLU A 163 -10.167 11.076 1.675 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.710 11.051 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.293 9.061 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.194 8.672 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.133 9.189 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.248 9.464 0.210 1.00 0.00 H new ATOM 226 N GLU A 164 -13.434 11.288 2.118 1.00 0.00 N ATOM 227 CA GLU A 164 -14.797 11.382 2.682 1.00 0.00 C ATOM 228 C GLU A 164 -15.387 12.783 2.413 1.00 0.00 C ATOM 229 O GLU A 164 -16.573 12.897 2.087 1.00 0.00 O ATOM 230 CB GLU A 164 -14.740 11.137 4.197 1.00 0.00 C ATOM 231 CG GLU A 164 -14.548 9.647 4.511 1.00 0.00 C ATOM 232 CD GLU A 164 -14.328 9.430 6.012 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.341 9.280 6.739 1.00 0.00 O ATOM 234 OE2 GLU A 164 -13.150 9.414 6.444 1.00 0.00 O ATOM 0 H GLU A 164 -12.689 11.476 2.789 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.430 10.631 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.921 11.711 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.660 11.494 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.423 9.086 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.694 9.261 3.954 1.00 0.00 H new ATOM 241 N SER A 165 -14.630 13.876 2.596 1.00 0.00 N ATOM 242 CA SER A 165 -15.209 15.249 2.560 1.00 0.00 C ATOM 243 C SER A 165 -14.566 16.069 1.423 1.00 0.00 C ATOM 244 O SER A 165 -15.016 17.182 1.139 1.00 0.00 O ATOM 245 CB SER A 165 -14.950 15.947 3.902 1.00 0.00 C ATOM 246 OG SER A 165 -15.581 15.252 4.972 1.00 0.00 O ATOM 0 H SER A 165 -13.625 13.848 2.769 1.00 0.00 H new ATOM 0 HA SER A 165 -16.282 15.177 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.877 16.004 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.321 16.971 3.860 1.00 0.00 H new ATOM 0 HG SER A 165 -15.399 15.716 5.816 1.00 0.00 H new ATOM 252 N GLY A 166 -13.536 15.564 0.727 1.00 0.00 N ATOM 253 CA GLY A 166 -12.938 16.279 -0.419 1.00 0.00 C ATOM 254 C GLY A 166 -12.016 17.408 0.084 1.00 0.00 C ATOM 255 O GLY A 166 -11.567 18.235 -0.714 1.00 0.00 O ATOM 0 H GLY A 166 -13.098 14.666 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.370 15.583 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.724 16.695 -1.049 1.00 0.00 H new ATOM 259 N THR A 167 -11.712 17.497 1.391 1.00 0.00 N ATOM 260 CA THR A 167 -10.849 18.574 1.928 1.00 0.00 C ATOM 261 C THR A 167 -9.867 17.988 2.947 1.00 0.00 C ATOM 262 O THR A 167 -10.163 16.961 3.572 1.00 0.00 O ATOM 263 CB THR A 167 -11.726 19.642 2.613 1.00 0.00 C ATOM 264 OG1 THR A 167 -10.923 20.742 2.986 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.489 19.178 3.860 1.00 0.00 C ATOM 0 H THR A 167 -12.048 16.841 2.096 1.00 0.00 H new ATOM 0 HA THR A 167 -10.291 19.031 1.111 1.00 0.00 H new ATOM 0 HB THR A 167 -12.479 19.896 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.480 21.422 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.072 20.008 4.260 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.158 18.360 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.780 18.836 4.614 1.00 0.00 H new ATOM 273 N CYS A 168 -8.698 18.601 3.174 1.00 0.00 N ATOM 274 CA CYS A 168 -7.747 18.125 4.183 1.00 0.00 C ATOM 275 C CYS A 168 -7.061 19.330 4.851 1.00 0.00 C ATOM 276 O CYS A 168 -6.486 20.180 4.159 1.00 0.00 O ATOM 277 CB CYS A 168 -6.693 17.239 3.511 1.00 0.00 C ATOM 278 SG CYS A 168 -5.688 16.478 4.814 1.00 0.00 S ATOM 0 H CYS A 168 -8.389 19.431 2.669 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.277 17.547 4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.172 16.472 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.067 17.831 2.844 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.774 15.184 4.728 1.00 0.00 H new ATOM 283 N LYS A 169 -7.099 19.458 6.186 1.00 0.00 N ATOM 284 CA LYS A 169 -6.516 20.630 6.884 1.00 0.00 C ATOM 285 C LYS A 169 -4.987 20.618 6.744 1.00 0.00 C ATOM 286 O LYS A 169 -4.345 21.655 6.936 1.00 0.00 O ATOM 287 CB LYS A 169 -6.892 20.574 8.376 1.00 0.00 C ATOM 288 CG LYS A 169 -8.403 20.516 8.669 1.00 0.00 C ATOM 289 CD LYS A 169 -8.684 20.223 10.154 1.00 0.00 C ATOM 290 CE LYS A 169 -8.310 18.794 10.589 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.179 17.777 9.956 1.00 0.00 N ATOM 0 H LYS A 169 -7.524 18.771 6.808 1.00 0.00 H new ATOM 0 HA LYS A 169 -6.909 21.544 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.418 19.699 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.475 21.450 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.864 21.464 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.864 19.745 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.130 20.935 10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.743 20.387 10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.270 18.596 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.387 18.713 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.962 16.840 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.176 18.008 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.011 17.767 8.930 1.00 0.00 H new ATOM 305 N TYR A 170 -4.354 19.486 6.429 1.00 0.00 N ATOM 306 CA TYR A 170 -2.889 19.417 6.307 1.00 0.00 C ATOM 307 C TYR A 170 -2.458 19.869 4.889 1.00 0.00 C ATOM 308 O TYR A 170 -1.310 20.279 4.695 1.00 0.00 O ATOM 309 CB TYR A 170 -2.426 17.980 6.554 1.00 0.00 C ATOM 310 CG TYR A 170 -2.551 17.576 8.014 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.804 17.226 8.557 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.416 17.614 8.846 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.930 16.948 9.933 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.540 17.333 10.218 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.795 17.003 10.769 1.00 0.00 C ATOM 316 OH TYR A 170 -2.895 16.735 12.099 1.00 0.00 O ATOM 0 H TYR A 170 -4.830 18.601 6.253 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.433 20.078 7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.016 17.300 5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.388 17.876 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.671 17.171 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.450 17.859 8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.894 16.693 10.347 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.668 17.370 10.854 1.00 0.00 H new ATOM 0 HH TYR A 170 -2.013 16.820 12.517 1.00 0.00 H new ATOM 326 N GLY A 171 -3.357 19.882 3.890 1.00 0.00 N ATOM 327 CA GLY A 171 -3.051 20.451 2.562 1.00 0.00 C ATOM 328 C GLY A 171 -1.846 19.721 1.938 1.00 0.00 C ATOM 329 O GLY A 171 -1.781 18.490 1.976 1.00 0.00 O ATOM 0 H GLY A 171 -4.301 19.506 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.919 20.359 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.833 21.515 2.655 1.00 0.00 H new ATOM 333 N GLU A 172 -0.894 20.428 1.312 1.00 0.00 N ATOM 334 CA GLU A 172 0.242 19.781 0.612 1.00 0.00 C ATOM 335 C GLU A 172 1.219 19.172 1.639 1.00 0.00 C ATOM 336 O GLU A 172 2.131 18.432 1.255 1.00 0.00 O ATOM 337 CB GLU A 172 0.983 20.828 -0.237 1.00 0.00 C ATOM 338 CG GLU A 172 0.133 21.374 -1.391 1.00 0.00 C ATOM 339 CD GLU A 172 0.941 22.363 -2.243 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.937 23.573 -1.905 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.568 21.916 -3.234 1.00 0.00 O ATOM 0 H GLU A 172 -0.882 21.447 1.272 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.141 18.988 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.291 21.655 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.892 20.383 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.215 20.550 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.753 21.869 -0.993 1.00 0.00 H new ATOM 348 N LYS A 173 1.060 19.423 2.950 1.00 0.00 N ATOM 349 CA LYS A 173 1.950 18.840 3.975 1.00 0.00 C ATOM 350 C LYS A 173 1.318 17.562 4.548 1.00 0.00 C ATOM 351 O LYS A 173 1.888 16.952 5.458 1.00 0.00 O ATOM 352 CB LYS A 173 2.166 19.860 5.109 1.00 0.00 C ATOM 353 CG LYS A 173 2.920 21.121 4.663 1.00 0.00 C ATOM 354 CD LYS A 173 3.218 21.998 5.888 1.00 0.00 C ATOM 355 CE LYS A 173 3.937 23.305 5.541 1.00 0.00 C ATOM 356 NZ LYS A 173 5.289 23.070 4.989 1.00 0.00 N ATOM 0 H LYS A 173 0.326 20.024 3.326 1.00 0.00 H new ATOM 0 HA LYS A 173 2.909 18.593 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.197 20.150 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.720 19.382 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.849 20.845 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.324 21.678 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 173 2.282 22.231 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.829 21.432 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.343 23.863 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.014 23.924 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 5.751 23.983 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 5.855 22.531 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 5.213 22.531 4.103 1.00 0.00 H new ATOM 370 N CYS A 174 0.157 17.102 4.053 1.00 0.00 N ATOM 371 CA CYS A 174 -0.473 15.890 4.570 1.00 0.00 C ATOM 372 C CYS A 174 0.432 14.681 4.293 1.00 0.00 C ATOM 373 O CYS A 174 0.854 14.468 3.150 1.00 0.00 O ATOM 374 CB CYS A 174 -1.830 15.686 3.892 1.00 0.00 C ATOM 375 SG CYS A 174 -2.674 14.322 4.737 1.00 0.00 S ATOM 0 H CYS A 174 -0.358 17.554 3.298 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.621 15.990 5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.426 16.597 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.698 15.457 2.835 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.104 13.466 3.858 1.00 0.00 H new ATOM 380 N GLN A 175 0.807 13.901 5.305 1.00 0.00 N ATOM 381 CA GLN A 175 1.736 12.789 5.132 1.00 0.00 C ATOM 382 C GLN A 175 0.988 11.560 4.568 1.00 0.00 C ATOM 383 O GLN A 175 1.554 10.472 4.520 1.00 0.00 O ATOM 384 CB GLN A 175 2.358 12.430 6.495 1.00 0.00 C ATOM 385 CG GLN A 175 3.097 13.594 7.178 1.00 0.00 C ATOM 386 CD GLN A 175 4.281 14.106 6.363 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.337 13.489 6.297 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.167 15.245 5.713 1.00 0.00 N ATOM 0 H GLN A 175 0.477 14.022 6.263 1.00 0.00 H new ATOM 0 HA GLN A 175 2.520 13.080 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.570 12.075 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.055 11.603 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.397 14.413 7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.450 13.269 8.157 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.295 15.772 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.951 15.600 5.166 1.00 0.00 H new ATOM 397 N PHE A 176 -0.283 11.679 4.151 1.00 0.00 N ATOM 398 CA PHE A 176 -1.061 10.524 3.654 1.00 0.00 C ATOM 399 C PHE A 176 -1.459 10.757 2.181 1.00 0.00 C ATOM 400 O PHE A 176 -1.356 11.882 1.681 1.00 0.00 O ATOM 401 CB PHE A 176 -2.324 10.351 4.514 1.00 0.00 C ATOM 402 CG PHE A 176 -2.030 9.852 5.922 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.530 10.723 6.914 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.221 8.493 6.235 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.218 10.239 8.199 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.909 8.006 7.517 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.416 8.881 8.501 1.00 0.00 C ATOM 0 H PHE A 176 -0.796 12.560 4.147 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.452 9.622 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.846 11.306 4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.998 9.650 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.386 11.769 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.610 7.820 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.828 10.910 8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.048 6.960 7.746 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.189 8.509 9.489 1.00 0.00 H new ATOM 417 N ALA A 177 -1.832 9.720 1.427 1.00 0.00 N ATOM 418 CA ALA A 177 -2.040 9.840 -0.023 1.00 0.00 C ATOM 419 C ALA A 177 -3.404 10.502 -0.307 1.00 0.00 C ATOM 420 O ALA A 177 -4.448 9.917 -0.006 1.00 0.00 O ATOM 421 CB ALA A 177 -2.011 8.442 -0.655 1.00 0.00 C ATOM 0 H ALA A 177 -1.997 8.784 1.796 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.249 10.456 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.165 8.526 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.045 7.975 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.802 7.830 -0.222 1.00 0.00 H new ATOM 427 N HIS A 178 -3.454 11.664 -0.968 1.00 0.00 N ATOM 428 CA HIS A 178 -4.728 12.240 -1.432 1.00 0.00 C ATOM 429 C HIS A 178 -5.146 11.565 -2.759 1.00 0.00 C ATOM 430 O HIS A 178 -6.340 11.497 -3.064 1.00 0.00 O ATOM 431 CB HIS A 178 -4.559 13.758 -1.651 1.00 0.00 C ATOM 432 CG HIS A 178 -4.443 14.568 -0.375 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.272 15.935 -0.287 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.557 14.095 0.904 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.292 16.268 1.019 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.482 15.179 1.778 1.00 0.00 N ATOM 0 H HIS A 178 -2.632 12.224 -1.195 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.499 12.069 -0.681 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.669 13.928 -2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.410 14.127 -2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.683 13.061 1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.172 17.271 1.401 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.557 15.149 2.795 1.00 0.00 H new ATOM 444 N GLY A 179 -4.212 11.015 -3.553 1.00 0.00 N ATOM 445 CA GLY A 179 -4.564 10.261 -4.773 1.00 0.00 C ATOM 446 C GLY A 179 -3.820 8.917 -4.781 1.00 0.00 C ATOM 447 O GLY A 179 -2.698 8.830 -4.277 1.00 0.00 O ATOM 0 H GLY A 179 -3.210 11.077 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.640 10.093 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.301 10.839 -5.659 1.00 0.00 H new ATOM 724 N GLU A 195 3.632 -16.205 10.782 1.00 0.00 N ATOM 725 CA GLU A 195 3.102 -16.936 11.956 1.00 0.00 C ATOM 726 C GLU A 195 1.674 -16.440 12.281 1.00 0.00 C ATOM 727 O GLU A 195 1.347 -15.278 12.017 1.00 0.00 O ATOM 728 CB GLU A 195 4.017 -16.692 13.168 1.00 0.00 C ATOM 729 CG GLU A 195 5.338 -17.466 13.061 1.00 0.00 C ATOM 730 CD GLU A 195 6.200 -17.252 14.311 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.834 -17.807 15.376 1.00 0.00 O ATOM 732 OE2 GLU A 195 7.227 -16.539 14.209 1.00 0.00 O ATOM 0 HA GLU A 195 3.070 -18.002 11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.228 -15.626 13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.497 -16.988 14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.132 -18.529 12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.885 -17.139 12.177 1.00 0.00 H new ATOM 739 N LEU A 196 0.795 -17.276 12.860 1.00 0.00 N ATOM 740 CA LEU A 196 -0.579 -16.862 13.206 1.00 0.00 C ATOM 741 C LEU A 196 -0.539 -15.771 14.287 1.00 0.00 C ATOM 742 O LEU A 196 0.161 -15.924 15.295 1.00 0.00 O ATOM 743 CB LEU A 196 -1.362 -18.080 13.735 1.00 0.00 C ATOM 744 CG LEU A 196 -1.509 -19.258 12.754 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.350 -20.358 13.405 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.175 -18.859 11.436 1.00 0.00 C ATOM 0 H LEU A 196 1.010 -18.244 13.099 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.070 -16.467 12.317 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -0.868 -18.442 14.637 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.358 -17.749 14.028 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.501 -19.606 12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.456 -21.193 12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.858 -20.701 14.315 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.336 -19.964 13.652 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.250 -19.732 10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.173 -18.469 11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.577 -18.092 10.944 1.00 0.00 H new ATOM 758 N CYS A 197 -1.315 -14.693 14.163 1.00 0.00 N ATOM 759 CA CYS A 197 -1.407 -13.673 15.207 1.00 0.00 C ATOM 760 C CYS A 197 -2.051 -14.278 16.464 1.00 0.00 C ATOM 761 O CYS A 197 -3.237 -14.631 16.450 1.00 0.00 O ATOM 762 CB CYS A 197 -2.250 -12.500 14.702 1.00 0.00 C ATOM 763 SG CYS A 197 -2.343 -11.152 15.913 1.00 0.00 S ATOM 0 H CYS A 197 -1.892 -14.504 13.344 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.408 -13.315 15.456 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.824 -12.122 13.772 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.256 -12.850 14.473 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.839 -10.070 15.398 1.00 0.00 H new ATOM 768 N ARG A 198 -1.310 -14.452 17.556 1.00 0.00 N ATOM 769 CA ARG A 198 -1.837 -15.105 18.777 1.00 0.00 C ATOM 770 C ARG A 198 -2.957 -14.252 19.388 1.00 0.00 C ATOM 771 O ARG A 198 -3.783 -14.774 20.131 1.00 0.00 O ATOM 772 CB ARG A 198 -0.702 -15.273 19.804 1.00 0.00 C ATOM 773 CG ARG A 198 0.449 -16.188 19.359 1.00 0.00 C ATOM 774 CD ARG A 198 -0.006 -17.575 18.887 1.00 0.00 C ATOM 775 NE ARG A 198 1.136 -18.497 18.747 1.00 0.00 N ATOM 776 CZ ARG A 198 1.859 -18.745 17.667 1.00 0.00 C ATOM 777 NH1 ARG A 198 1.654 -18.174 16.510 1.00 0.00 N ATOM 778 NH2 ARG A 198 2.843 -19.601 17.729 1.00 0.00 N ATOM 0 H ARG A 198 -0.338 -14.153 17.631 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.237 -16.083 18.511 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.294 -14.289 20.036 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.124 -15.669 20.728 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.995 -15.701 18.551 1.00 0.00 H new ATOM 0 HG3 ARG A 198 1.146 -16.308 20.188 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.722 -17.986 19.598 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.522 -17.485 17.931 1.00 0.00 H new ATOM 0 HE ARG A 198 1.402 -19.008 19.589 1.00 0.00 H new ATOM 0 HH11 ARG A 198 0.901 -17.494 16.403 1.00 0.00 H new ATOM 0 HH12 ARG A 198 2.247 -18.408 15.714 1.00 0.00 H new ATOM 0 HH21 ARG A 198 3.052 -20.075 18.608 1.00 0.00 H new ATOM 0 HH22 ARG A 198 3.403 -19.795 16.899 1.00 0.00 H new ATOM 792 N THR A 199 -3.071 -12.961 19.064 1.00 0.00 N ATOM 793 CA THR A 199 -4.171 -12.119 19.574 1.00 0.00 C ATOM 794 C THR A 199 -5.420 -12.319 18.708 1.00 0.00 C ATOM 795 O THR A 199 -6.495 -12.594 19.241 1.00 0.00 O ATOM 796 CB THR A 199 -3.750 -10.637 19.542 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.461 -10.492 20.107 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.675 -9.765 20.387 1.00 0.00 C ATOM 0 H THR A 199 -2.419 -12.471 18.452 1.00 0.00 H new ATOM 0 HA THR A 199 -4.396 -12.407 20.601 1.00 0.00 H new ATOM 0 HB THR A 199 -3.784 -10.328 18.497 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.197 -9.548 20.083 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.343 -8.728 20.337 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.693 -9.839 20.006 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.650 -10.105 21.422 1.00 0.00 H new ATOM 806 N PHE A 200 -5.331 -12.269 17.371 1.00 0.00 N ATOM 807 CA PHE A 200 -6.508 -12.470 16.502 1.00 0.00 C ATOM 808 C PHE A 200 -7.026 -13.920 16.647 1.00 0.00 C ATOM 809 O PHE A 200 -8.236 -14.139 16.668 1.00 0.00 O ATOM 810 CB PHE A 200 -6.118 -12.202 15.042 1.00 0.00 C ATOM 811 CG PHE A 200 -7.274 -12.191 14.065 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.011 -11.008 13.866 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.607 -13.354 13.342 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.082 -10.991 12.954 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.678 -13.336 12.430 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.416 -12.154 12.238 1.00 0.00 C ATOM 0 H PHE A 200 -4.462 -12.092 16.866 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.297 -11.779 16.799 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.607 -11.241 14.988 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.402 -12.962 14.727 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.754 -10.113 14.414 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.039 -14.261 13.488 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.648 -10.084 12.804 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -8.933 -14.229 11.878 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.240 -12.140 11.540 1.00 0.00 H new ATOM 826 N HIS A 201 -6.163 -14.926 16.772 1.00 0.00 N ATOM 827 CA HIS A 201 -6.609 -16.338 16.883 1.00 0.00 C ATOM 828 C HIS A 201 -7.013 -16.663 18.359 1.00 0.00 C ATOM 829 O HIS A 201 -7.534 -17.750 18.622 1.00 0.00 O ATOM 830 CB HIS A 201 -5.469 -17.270 16.440 1.00 0.00 C ATOM 831 CG HIS A 201 -5.350 -17.296 14.929 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.851 -18.307 14.106 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.891 -16.279 14.140 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.683 -17.879 12.843 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.112 -16.663 12.834 1.00 0.00 N ATOM 0 H HIS A 201 -5.151 -14.804 16.800 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.476 -16.490 16.240 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.529 -16.935 16.877 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.652 -18.278 16.812 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.443 -15.355 14.474 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -5.967 -18.434 11.961 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -4.881 -16.117 12.004 1.00 0.00 H new ATOM 843 N THR A 202 -6.876 -15.733 19.319 1.00 0.00 N ATOM 844 CA THR A 202 -7.374 -15.954 20.716 1.00 0.00 C ATOM 845 C THR A 202 -8.572 -15.033 20.997 1.00 0.00 C ATOM 846 O THR A 202 -9.668 -15.523 21.281 1.00 0.00 O ATOM 847 CB THR A 202 -6.250 -15.660 21.726 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.198 -16.580 21.545 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.705 -15.825 23.180 1.00 0.00 C ATOM 0 H THR A 202 -6.432 -14.827 19.171 1.00 0.00 H new ATOM 0 HA THR A 202 -7.687 -16.993 20.819 1.00 0.00 H new ATOM 0 HB THR A 202 -5.946 -14.629 21.548 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.484 -16.162 21.019 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.873 -15.605 23.849 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.526 -15.138 23.385 1.00 0.00 H new ATOM 0 HG23 THR A 202 -7.040 -16.849 23.342 1.00 0.00 H new ATOM 857 N ILE A 203 -8.426 -13.703 20.951 1.00 0.00 N ATOM 858 CA ILE A 203 -9.537 -12.780 21.277 1.00 0.00 C ATOM 859 C ILE A 203 -10.527 -12.717 20.091 1.00 0.00 C ATOM 860 O ILE A 203 -11.632 -12.193 20.238 1.00 0.00 O ATOM 861 CB ILE A 203 -8.970 -11.355 21.562 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.651 -11.388 22.377 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.021 -10.544 22.349 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.146 -10.038 22.906 1.00 0.00 C ATOM 0 H ILE A 203 -7.556 -13.237 20.693 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.058 -13.144 22.162 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.751 -10.893 20.599 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.789 -12.058 23.225 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.872 -11.823 21.751 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.633 -9.546 22.553 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.935 -10.465 21.760 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.239 -11.048 23.291 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.219 -10.188 23.459 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.965 -9.364 22.069 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.896 -9.602 23.566 1.00 0.00 H new ATOM 876 N GLY A 204 -10.167 -13.203 18.891 1.00 0.00 N ATOM 877 CA GLY A 204 -11.000 -13.014 17.690 1.00 0.00 C ATOM 878 C GLY A 204 -10.772 -11.600 17.124 1.00 0.00 C ATOM 879 O GLY A 204 -11.417 -11.216 16.145 1.00 0.00 O ATOM 0 H GLY A 204 -9.308 -13.728 18.726 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.749 -13.763 16.939 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.052 -13.152 17.939 1.00 0.00 H new ATOM 883 N PHE A 205 -9.880 -10.785 17.711 1.00 0.00 N ATOM 884 CA PHE A 205 -9.646 -9.411 17.253 1.00 0.00 C ATOM 885 C PHE A 205 -8.166 -9.041 17.472 1.00 0.00 C ATOM 886 O PHE A 205 -7.461 -9.738 18.206 1.00 0.00 O ATOM 887 CB PHE A 205 -10.541 -8.451 18.057 1.00 0.00 C ATOM 888 CG PHE A 205 -10.409 -6.986 17.673 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.767 -6.561 16.379 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.870 -6.060 18.588 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.586 -5.217 16.002 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.689 -4.717 18.211 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.047 -4.295 16.918 1.00 0.00 C ATOM 0 H PHE A 205 -9.307 -11.059 18.509 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.884 -9.332 16.192 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.580 -8.753 17.930 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.305 -8.557 19.116 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.181 -7.267 15.675 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.595 -6.382 19.581 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.861 -4.893 15.009 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.275 -4.010 18.915 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.908 -3.264 16.628 1.00 0.00 H new ATOM 903 N CYS A 206 -7.667 -7.929 16.917 1.00 0.00 N ATOM 904 CA CYS A 206 -6.289 -7.488 17.158 1.00 0.00 C ATOM 905 C CYS A 206 -6.226 -5.945 17.116 1.00 0.00 C ATOM 906 O CYS A 206 -6.745 -5.331 16.175 1.00 0.00 O ATOM 907 CB CYS A 206 -5.376 -8.072 16.081 1.00 0.00 C ATOM 908 SG CYS A 206 -3.645 -7.628 16.380 1.00 0.00 S ATOM 0 H CYS A 206 -8.199 -7.318 16.297 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.960 -7.833 18.138 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.478 -9.157 16.063 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.684 -7.706 15.101 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.916 -8.705 16.390 1.00 0.00 H new ATOM 913 N PRO A 207 -5.607 -5.268 18.110 1.00 0.00 N ATOM 914 CA PRO A 207 -5.588 -3.807 18.167 1.00 0.00 C ATOM 915 C PRO A 207 -4.687 -3.246 17.046 1.00 0.00 C ATOM 916 O PRO A 207 -4.729 -2.044 16.766 1.00 0.00 O ATOM 917 CB PRO A 207 -5.045 -3.373 19.528 1.00 0.00 C ATOM 918 CG PRO A 207 -4.224 -4.601 19.938 1.00 0.00 C ATOM 919 CD PRO A 207 -4.949 -5.794 19.297 1.00 0.00 C ATOM 0 HA PRO A 207 -6.599 -3.423 18.030 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.431 -2.475 19.457 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.843 -3.158 20.238 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.196 -4.526 19.582 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.179 -4.702 21.022 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.245 -6.585 19.036 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.674 -6.227 19.986 1.00 0.00 H new ATOM 927 N TYR A 208 -3.875 -4.071 16.362 1.00 0.00 N ATOM 928 CA TYR A 208 -3.032 -3.594 15.252 1.00 0.00 C ATOM 929 C TYR A 208 -3.846 -3.598 13.940 1.00 0.00 C ATOM 930 O TYR A 208 -3.484 -2.902 12.987 1.00 0.00 O ATOM 931 CB TYR A 208 -1.809 -4.510 15.106 1.00 0.00 C ATOM 932 CG TYR A 208 -0.789 -4.361 16.222 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.998 -4.968 17.476 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.370 -3.591 16.008 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.074 -4.777 18.522 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.295 -3.396 17.050 1.00 0.00 C ATOM 937 CZ TYR A 208 1.071 -3.978 18.316 1.00 0.00 C ATOM 938 OH TYR A 208 1.949 -3.775 19.337 1.00 0.00 O ATOM 0 H TYR A 208 -3.785 -5.068 16.558 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.699 -2.578 15.463 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.146 -5.546 15.071 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.323 -4.301 14.153 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.871 -5.583 17.636 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.550 -3.148 15.040 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.242 -5.242 19.482 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.179 -2.799 16.881 1.00 0.00 H new ATOM 0 HH TYR A 208 2.683 -3.203 19.029 1.00 0.00 H new ATOM 948 N GLY A 209 -4.975 -4.315 13.860 1.00 0.00 N ATOM 949 CA GLY A 209 -5.850 -4.274 12.674 1.00 0.00 C ATOM 950 C GLY A 209 -5.064 -4.726 11.423 1.00 0.00 C ATOM 951 O GLY A 209 -4.268 -5.666 11.500 1.00 0.00 O ATOM 0 H GLY A 209 -5.307 -4.932 14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.713 -4.922 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.232 -3.264 12.528 1.00 0.00 H new ATOM 955 N PRO A 210 -5.269 -4.108 10.241 1.00 0.00 N ATOM 956 CA PRO A 210 -4.625 -4.552 9.004 1.00 0.00 C ATOM 957 C PRO A 210 -3.111 -4.233 9.050 1.00 0.00 C ATOM 958 O PRO A 210 -2.348 -4.762 8.237 1.00 0.00 O ATOM 959 CB PRO A 210 -5.268 -3.822 7.824 1.00 0.00 C ATOM 960 CG PRO A 210 -5.807 -2.560 8.504 1.00 0.00 C ATOM 961 CD PRO A 210 -6.164 -3.001 9.932 1.00 0.00 C ATOM 0 HA PRO A 210 -4.753 -5.629 8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.545 -3.590 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.061 -4.409 7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.061 -1.766 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.681 -2.172 7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.031 -2.182 10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.207 -3.312 9.996 1.00 0.00 H new ATOM 969 N ARG A 211 -2.625 -3.387 9.982 1.00 0.00 N ATOM 970 CA ARG A 211 -1.184 -3.058 10.067 1.00 0.00 C ATOM 971 C ARG A 211 -0.448 -4.136 10.893 1.00 0.00 C ATOM 972 O ARG A 211 0.769 -4.042 11.080 1.00 0.00 O ATOM 973 CB ARG A 211 -1.008 -1.678 10.743 1.00 0.00 C ATOM 974 CG ARG A 211 -1.263 -0.481 9.812 1.00 0.00 C ATOM 975 CD ARG A 211 -0.142 -0.333 8.774 1.00 0.00 C ATOM 976 NE ARG A 211 -0.252 0.921 8.009 1.00 0.00 N ATOM 977 CZ ARG A 211 0.635 1.379 7.140 1.00 0.00 C ATOM 978 NH1 ARG A 211 1.742 0.746 6.859 1.00 0.00 N ATOM 979 NH2 ARG A 211 0.417 2.499 6.517 1.00 0.00 N ATOM 0 H ARG A 211 -3.203 -2.922 10.682 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.763 -3.027 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.687 -1.613 11.593 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.005 -1.607 11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -2.218 -0.611 9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -1.338 0.432 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 211 0.824 -0.365 9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -0.171 -1.179 8.087 1.00 0.00 H new ATOM 0 HE ARG A 211 -1.086 1.487 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 211 1.953 -0.141 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 211 2.396 1.138 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -0.438 3.025 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 211 1.101 2.852 5.847 1.00 0.00 H new ATOM 993 N CYS A 212 -1.132 -5.178 11.405 1.00 0.00 N ATOM 994 CA CYS A 212 -0.479 -6.225 12.199 1.00 0.00 C ATOM 995 C CYS A 212 0.527 -6.991 11.321 1.00 0.00 C ATOM 996 O CYS A 212 0.235 -7.287 10.155 1.00 0.00 O ATOM 997 CB CYS A 212 -1.537 -7.193 12.731 1.00 0.00 C ATOM 998 SG CYS A 212 -0.793 -8.266 13.992 1.00 0.00 S ATOM 0 H CYS A 212 -2.135 -5.313 11.280 1.00 0.00 H new ATOM 0 HA CYS A 212 0.050 -5.768 13.035 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.372 -6.638 13.157 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.938 -7.795 11.916 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.475 -8.176 15.095 1.00 0.00 H new ATOM 1003 N HIS A 213 1.712 -7.343 11.827 1.00 0.00 N ATOM 1004 CA HIS A 213 2.724 -8.051 11.031 1.00 0.00 C ATOM 1005 C HIS A 213 2.513 -9.574 11.143 1.00 0.00 C ATOM 1006 O HIS A 213 3.368 -10.343 10.711 1.00 0.00 O ATOM 1007 CB HIS A 213 4.126 -7.688 11.547 1.00 0.00 C ATOM 1008 CG HIS A 213 4.552 -6.288 11.184 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.276 -5.942 10.041 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.297 -5.162 11.908 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.442 -4.611 10.101 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.864 -4.117 11.211 1.00 0.00 N ATOM 0 H HIS A 213 1.997 -7.149 12.787 1.00 0.00 H new ATOM 0 HA HIS A 213 2.629 -7.754 9.986 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.146 -7.796 12.631 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.849 -8.397 11.143 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.758 -5.101 12.842 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.965 -4.021 9.363 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.848 -3.136 11.489 1.00 0.00 H new ATOM 1020 N PHE A 214 1.392 -10.061 11.709 1.00 0.00 N ATOM 1021 CA PHE A 214 1.172 -11.511 11.890 1.00 0.00 C ATOM 1022 C PHE A 214 -0.137 -11.939 11.169 1.00 0.00 C ATOM 1023 O PHE A 214 -0.988 -11.095 10.878 1.00 0.00 O ATOM 1024 CB PHE A 214 1.071 -11.828 13.386 1.00 0.00 C ATOM 1025 CG PHE A 214 2.387 -11.567 14.108 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.691 -10.285 14.606 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.338 -12.597 14.228 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.939 -10.034 15.207 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.582 -12.349 14.840 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.885 -11.066 15.326 1.00 0.00 C ATOM 0 H PHE A 214 0.628 -9.476 12.047 1.00 0.00 H new ATOM 0 HA PHE A 214 2.009 -12.061 11.460 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.284 -11.222 13.834 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.784 -12.871 13.518 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.963 -9.491 14.526 1.00 0.00 H new ATOM 0 HD2 PHE A 214 3.113 -13.583 13.849 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.170 -9.046 15.577 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.304 -13.146 14.936 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.841 -10.874 15.789 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.303 -13.222 10.801 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.453 -13.665 9.968 1.00 0.00 C ATOM 1042 C ILE A 215 -2.758 -13.541 10.768 1.00 0.00 C ATOM 1043 O ILE A 215 -2.907 -14.185 11.810 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.249 -15.145 9.541 1.00 0.00 C ATOM 1045 CG1 ILE A 215 0.075 -15.393 8.789 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.433 -15.609 8.666 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.461 -16.875 8.674 1.00 0.00 C ATOM 0 H ILE A 215 0.337 -13.972 11.062 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.513 -13.034 9.081 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.202 -15.726 10.462 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.003 -14.970 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.876 -14.858 9.299 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.282 -16.647 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.360 -15.524 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.494 -14.984 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.403 -16.965 8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.574 -17.300 9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.319 -17.414 8.136 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.762 -12.804 10.282 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.086 -12.775 10.915 1.00 0.00 C ATOM 1061 C HIS A 216 -5.999 -13.828 10.247 1.00 0.00 C ATOM 1062 O HIS A 216 -5.947 -15.006 10.608 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.705 -11.368 10.754 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.130 -10.318 11.666 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.560 -9.012 11.757 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.164 -10.503 12.615 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.869 -8.431 12.752 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.027 -9.308 13.314 1.00 0.00 N ATOM 0 H HIS A 216 -3.683 -12.218 9.451 1.00 0.00 H new ATOM 0 HA HIS A 216 -4.988 -13.004 11.976 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.573 -11.044 9.722 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.778 -11.436 10.932 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.608 -11.412 12.790 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.977 -7.400 13.056 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.405 -9.133 14.103 1.00 0.00 H new