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 120:sc= 0.724 USER MOD Set 1.2: A 206 CYS SG : rot 125:sc= 0.552 USER MOD Set 1.3: A 212 CYS SG : rot 125:sc= 0.568 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.794 X(o=1.1,f=0.75) USER MOD Set 2.1: A 159 CYS SG : rot 118:sc= 0.391 USER MOD Set 2.2: A 168 CYS SG : rot 126:sc= 0.532 USER MOD Set 2.3: A 174 CYS SG : rot 123:sc= 0.699 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.359 K(o=1.3,f=0.43) USER MOD Single : A 155 LYS NZ :NH3+ -172:sc= 0.0976 (180deg=0.0673) 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= 0.00372 USER MOD Single : A 201 HIS : no HD1:sc= 0.491 K(o=0.49,f=-1.6!) USER MOD Single : A 202 THR OG1 : rot 83:sc= 1.13 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 2.564 8.343 3.820 1.00 0.00 N ATOM 74 CA LYS A 155 1.689 8.088 2.640 1.00 0.00 C ATOM 75 C LYS A 155 1.653 6.575 2.313 1.00 0.00 C ATOM 76 O LYS A 155 1.436 6.202 1.162 1.00 0.00 O ATOM 77 CB LYS A 155 2.221 8.881 1.421 1.00 0.00 C ATOM 78 CG LYS A 155 1.922 10.366 1.638 1.00 0.00 C ATOM 79 CD LYS A 155 2.379 11.202 0.440 1.00 0.00 C ATOM 80 CE LYS A 155 2.017 12.669 0.662 1.00 0.00 C ATOM 81 NZ LYS A 155 0.562 12.916 0.572 1.00 0.00 N ATOM 0 HA LYS A 155 0.676 8.416 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.293 8.724 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.747 8.529 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.852 10.505 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.425 10.713 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.456 11.101 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.907 10.836 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.375 12.983 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.532 13.282 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.382 13.940 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 0.197 12.520 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.083 12.462 1.376 1.00 0.00 H new ATOM 95 N THR A 156 1.765 5.676 3.295 1.00 0.00 N ATOM 96 CA THR A 156 1.573 4.225 3.050 1.00 0.00 C ATOM 97 C THR A 156 0.104 3.847 3.309 1.00 0.00 C ATOM 98 O THR A 156 -0.279 2.692 3.112 1.00 0.00 O ATOM 99 CB THR A 156 2.487 3.413 3.987 1.00 0.00 C ATOM 100 OG1 THR A 156 2.260 3.663 5.356 1.00 0.00 O ATOM 101 CG2 THR A 156 3.958 3.707 3.685 1.00 0.00 C ATOM 0 H THR A 156 1.985 5.914 4.262 1.00 0.00 H new ATOM 0 HA THR A 156 1.828 4.000 2.014 1.00 0.00 H new ATOM 0 HB THR A 156 2.246 2.368 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 156 2.870 3.116 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 156 4.590 3.125 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.179 3.436 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.154 4.769 3.831 1.00 0.00 H new ATOM 109 N GLU A 157 -0.757 4.779 3.769 1.00 0.00 N ATOM 110 CA GLU A 157 -2.167 4.468 4.090 1.00 0.00 C ATOM 111 C GLU A 157 -3.086 5.557 3.503 1.00 0.00 C ATOM 112 O GLU A 157 -2.668 6.711 3.356 1.00 0.00 O ATOM 113 CB GLU A 157 -2.341 4.415 5.618 1.00 0.00 C ATOM 114 CG GLU A 157 -3.716 3.900 6.045 1.00 0.00 C ATOM 115 CD GLU A 157 -3.768 3.663 7.553 1.00 0.00 C ATOM 116 OE1 GLU A 157 -3.389 2.551 7.987 1.00 0.00 O ATOM 117 OE2 GLU A 157 -4.181 4.594 8.282 1.00 0.00 O ATOM 0 H GLU A 157 -0.501 5.754 3.927 1.00 0.00 H new ATOM 0 HA GLU A 157 -2.434 3.503 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.570 3.773 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -2.188 5.412 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -4.483 4.620 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.940 2.972 5.519 1.00 0.00 H new ATOM 124 N LEU A 158 -4.336 5.236 3.124 1.00 0.00 N ATOM 125 CA LEU A 158 -5.248 6.217 2.502 1.00 0.00 C ATOM 126 C LEU A 158 -5.597 7.331 3.505 1.00 0.00 C ATOM 127 O LEU A 158 -5.874 7.046 4.676 1.00 0.00 O ATOM 128 CB LEU A 158 -6.542 5.509 2.070 1.00 0.00 C ATOM 129 CG LEU A 158 -6.566 4.802 0.711 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.945 4.141 0.612 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.398 5.773 -0.460 1.00 0.00 C ATOM 0 H LEU A 158 -4.739 4.306 3.237 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.754 6.656 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.787 4.770 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.343 6.249 2.074 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.740 4.093 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -8.029 3.616 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -8.068 3.431 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.720 4.905 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.422 5.219 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -7.209 6.502 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.443 6.291 -0.369 1.00 0.00 H new ATOM 143 N CYS A 159 -5.733 8.587 3.067 1.00 0.00 N ATOM 144 CA CYS A 159 -6.271 9.652 3.908 1.00 0.00 C ATOM 145 C CYS A 159 -7.800 9.522 3.968 1.00 0.00 C ATOM 146 O CYS A 159 -8.488 9.849 2.991 1.00 0.00 O ATOM 147 CB CYS A 159 -5.890 11.010 3.309 1.00 0.00 C ATOM 148 SG CYS A 159 -6.340 12.417 4.364 1.00 0.00 S ATOM 0 H CYS A 159 -5.475 8.888 2.127 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.860 9.574 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.815 11.030 3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.378 11.121 2.341 1.00 0.00 H new ATOM 0 HG CYS A 159 -5.264 13.052 4.722 1.00 0.00 H new ATOM 153 N ARG A 160 -8.381 8.960 5.042 1.00 0.00 N ATOM 154 CA ARG A 160 -9.827 8.651 5.076 1.00 0.00 C ATOM 155 C ARG A 160 -10.651 9.962 5.013 1.00 0.00 C ATOM 156 O ARG A 160 -11.641 10.022 4.289 1.00 0.00 O ATOM 157 CB ARG A 160 -10.168 7.885 6.369 1.00 0.00 C ATOM 158 CG ARG A 160 -9.182 6.808 6.843 1.00 0.00 C ATOM 159 CD ARG A 160 -8.909 5.713 5.805 1.00 0.00 C ATOM 160 NE ARG A 160 -8.024 4.677 6.367 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.730 3.505 5.831 1.00 0.00 C ATOM 162 NH1 ARG A 160 -8.187 3.126 4.666 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.965 2.665 6.473 1.00 0.00 N ATOM 0 H ARG A 160 -7.879 8.711 5.894 1.00 0.00 H new ATOM 0 HA ARG A 160 -10.077 8.031 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -10.279 8.614 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -11.140 7.412 6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.239 7.285 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -9.573 6.346 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -9.849 5.263 5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -8.449 6.150 4.919 1.00 0.00 H new ATOM 0 HE ARG A 160 -7.592 4.887 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -8.797 3.745 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -7.933 2.212 4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -6.593 2.912 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -6.739 1.761 6.058 1.00 0.00 H new ATOM 177 N PRO A 161 -10.263 11.054 5.726 1.00 0.00 N ATOM 178 CA PRO A 161 -10.991 12.332 5.657 1.00 0.00 C ATOM 179 C PRO A 161 -11.091 12.801 4.188 1.00 0.00 C ATOM 180 O PRO A 161 -12.154 13.264 3.760 1.00 0.00 O ATOM 181 CB PRO A 161 -10.240 13.379 6.481 1.00 0.00 C ATOM 182 CG PRO A 161 -9.476 12.499 7.468 1.00 0.00 C ATOM 183 CD PRO A 161 -9.161 11.231 6.668 1.00 0.00 C ATOM 0 HA PRO A 161 -11.997 12.201 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.572 13.982 5.867 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.918 14.068 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.566 12.987 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -10.076 12.275 8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -8.212 11.330 6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -9.071 10.368 7.328 1.00 0.00 H new ATOM 191 N PHE A 162 -10.034 12.668 3.370 1.00 0.00 N ATOM 192 CA PHE A 162 -10.083 13.077 1.960 1.00 0.00 C ATOM 193 C PHE A 162 -10.975 12.102 1.164 1.00 0.00 C ATOM 194 O PHE A 162 -11.752 12.536 0.319 1.00 0.00 O ATOM 195 CB PHE A 162 -8.665 13.070 1.374 1.00 0.00 C ATOM 196 CG PHE A 162 -8.591 13.711 0.001 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.418 15.104 -0.117 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.734 12.926 -1.161 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.387 15.709 -1.387 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.706 13.532 -2.429 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.532 14.923 -2.544 1.00 0.00 C ATOM 0 H PHE A 162 -9.137 12.281 3.662 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.500 14.082 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.994 13.597 2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.309 12.042 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.309 15.710 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.865 11.857 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.252 16.777 -1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.818 12.928 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.510 15.387 -3.519 1.00 0.00 H new ATOM 211 N GLU A 163 -10.907 10.790 1.397 1.00 0.00 N ATOM 212 CA GLU A 163 -11.752 9.824 0.664 1.00 0.00 C ATOM 213 C GLU A 163 -13.243 10.040 1.045 1.00 0.00 C ATOM 214 O GLU A 163 -14.135 9.763 0.239 1.00 0.00 O ATOM 215 CB GLU A 163 -11.331 8.391 1.033 1.00 0.00 C ATOM 216 CG GLU A 163 -9.965 7.984 0.459 1.00 0.00 C ATOM 217 CD GLU A 163 -10.018 7.766 -1.059 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.299 6.618 -1.479 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.785 8.746 -1.806 1.00 0.00 O ATOM 0 H GLU A 163 -10.282 10.366 2.082 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.627 9.976 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.302 8.298 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.089 7.695 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -9.231 8.757 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.626 7.069 0.945 1.00 0.00 H new ATOM 226 N GLU A 164 -13.554 10.492 2.271 1.00 0.00 N ATOM 227 CA GLU A 164 -14.949 10.612 2.740 1.00 0.00 C ATOM 228 C GLU A 164 -15.540 11.966 2.302 1.00 0.00 C ATOM 229 O GLU A 164 -16.704 12.025 1.893 1.00 0.00 O ATOM 230 CB GLU A 164 -14.980 10.518 4.277 1.00 0.00 C ATOM 231 CG GLU A 164 -14.766 9.082 4.780 1.00 0.00 C ATOM 232 CD GLU A 164 -14.644 9.048 6.310 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.698 8.930 6.981 1.00 0.00 O ATOM 234 OE2 GLU A 164 -13.500 9.137 6.817 1.00 0.00 O ATOM 0 H GLU A 164 -12.858 10.781 2.958 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.541 9.806 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -14.208 11.165 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.938 10.889 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.599 8.454 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.865 8.666 4.330 1.00 0.00 H new ATOM 241 N SER A 165 -14.813 13.089 2.436 1.00 0.00 N ATOM 242 CA SER A 165 -15.409 14.440 2.236 1.00 0.00 C ATOM 243 C SER A 165 -14.699 15.170 1.074 1.00 0.00 C ATOM 244 O SER A 165 -15.148 16.242 0.660 1.00 0.00 O ATOM 245 CB SER A 165 -15.256 15.260 3.526 1.00 0.00 C ATOM 246 OG SER A 165 -15.946 14.647 4.608 1.00 0.00 O ATOM 0 H SER A 165 -13.822 13.099 2.679 1.00 0.00 H new ATOM 0 HA SER A 165 -16.466 14.330 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.199 15.359 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.642 16.267 3.368 1.00 0.00 H new ATOM 0 HG SER A 165 -15.831 15.188 5.417 1.00 0.00 H new ATOM 252 N GLY A 166 -13.612 14.632 0.503 1.00 0.00 N ATOM 253 CA GLY A 166 -12.950 15.249 -0.669 1.00 0.00 C ATOM 254 C GLY A 166 -12.097 16.456 -0.222 1.00 0.00 C ATOM 255 O GLY A 166 -11.632 17.226 -1.067 1.00 0.00 O ATOM 0 H GLY A 166 -13.169 13.773 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.320 14.514 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.699 15.571 -1.392 1.00 0.00 H new ATOM 259 N THR A 167 -11.887 16.684 1.089 1.00 0.00 N ATOM 260 CA THR A 167 -11.117 17.854 1.572 1.00 0.00 C ATOM 261 C THR A 167 -10.152 17.416 2.678 1.00 0.00 C ATOM 262 O THR A 167 -10.446 16.464 3.412 1.00 0.00 O ATOM 263 CB THR A 167 -12.089 18.916 2.128 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.373 20.087 2.458 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.894 18.498 3.367 1.00 0.00 C ATOM 0 H THR A 167 -12.237 16.079 1.832 1.00 0.00 H new ATOM 0 HA THR A 167 -10.548 18.278 0.744 1.00 0.00 H new ATOM 0 HB THR A 167 -12.811 19.070 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.992 20.761 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.544 19.318 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.500 17.624 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.210 18.255 4.180 1.00 0.00 H new ATOM 273 N CYS A 168 -8.996 18.080 2.860 1.00 0.00 N ATOM 274 CA CYS A 168 -8.071 17.753 3.950 1.00 0.00 C ATOM 275 C CYS A 168 -7.373 19.041 4.436 1.00 0.00 C ATOM 276 O CYS A 168 -6.763 19.757 3.633 1.00 0.00 O ATOM 277 CB CYS A 168 -7.023 16.756 3.447 1.00 0.00 C ATOM 278 SG CYS A 168 -6.058 16.181 4.870 1.00 0.00 S ATOM 0 H CYS A 168 -8.684 18.846 2.263 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.624 17.309 4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.506 15.915 2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.371 17.228 2.712 1.00 0.00 H new ATOM 0 HG CYS A 168 -6.086 14.882 4.917 1.00 0.00 H new ATOM 283 N LYS A 169 -7.450 19.389 5.728 1.00 0.00 N ATOM 284 CA LYS A 169 -6.875 20.660 6.242 1.00 0.00 C ATOM 285 C LYS A 169 -5.338 20.596 6.206 1.00 0.00 C ATOM 286 O LYS A 169 -4.677 21.627 6.356 1.00 0.00 O ATOM 287 CB LYS A 169 -7.341 20.882 7.693 1.00 0.00 C ATOM 288 CG LYS A 169 -8.866 20.858 7.899 1.00 0.00 C ATOM 289 CD LYS A 169 -9.239 20.984 9.383 1.00 0.00 C ATOM 290 CE LYS A 169 -8.846 19.736 10.189 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.266 19.862 11.600 1.00 0.00 N ATOM 0 H LYS A 169 -7.901 18.817 6.442 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.214 21.484 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.892 20.115 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.958 21.842 8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.322 21.674 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.273 19.929 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.745 21.858 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.313 21.149 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.307 18.853 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.767 19.591 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.989 19.006 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.807 20.692 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.299 19.976 11.646 1.00 0.00 H new ATOM 305 N TYR A 170 -4.722 19.426 6.026 1.00 0.00 N ATOM 306 CA TYR A 170 -3.255 19.309 6.007 1.00 0.00 C ATOM 307 C TYR A 170 -2.726 19.588 4.581 1.00 0.00 C ATOM 308 O TYR A 170 -1.570 19.984 4.422 1.00 0.00 O ATOM 309 CB TYR A 170 -2.853 17.898 6.439 1.00 0.00 C ATOM 310 CG TYR A 170 -2.927 17.692 7.939 1.00 0.00 C ATOM 311 CD1 TYR A 170 -4.173 17.556 8.587 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.741 17.688 8.693 1.00 0.00 C ATOM 313 CE1 TYR A 170 -4.232 17.443 9.989 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.798 17.574 10.093 1.00 0.00 C ATOM 315 CZ TYR A 170 -3.041 17.452 10.748 1.00 0.00 C ATOM 316 OH TYR A 170 -3.082 17.340 12.103 1.00 0.00 O ATOM 0 H TYR A 170 -5.213 18.542 5.891 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.825 20.037 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.503 17.175 5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.837 17.696 6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -5.083 17.539 8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.786 17.773 8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.187 17.349 10.484 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.885 17.580 10.670 1.00 0.00 H new ATOM 0 HH TYR A 170 -2.170 17.364 12.461 1.00 0.00 H new ATOM 326 N GLY A 171 -3.546 19.457 3.526 1.00 0.00 N ATOM 327 CA GLY A 171 -3.130 19.824 2.157 1.00 0.00 C ATOM 328 C GLY A 171 -1.872 19.028 1.757 1.00 0.00 C ATOM 329 O GLY A 171 -1.808 17.818 1.984 1.00 0.00 O ATOM 0 H GLY A 171 -4.500 19.101 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.938 19.619 1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.926 20.893 2.105 1.00 0.00 H new ATOM 333 N GLU A 172 -0.862 19.651 1.135 1.00 0.00 N ATOM 334 CA GLU A 172 0.340 18.926 0.655 1.00 0.00 C ATOM 335 C GLU A 172 1.217 18.493 1.858 1.00 0.00 C ATOM 336 O GLU A 172 2.186 17.751 1.677 1.00 0.00 O ATOM 337 CB GLU A 172 1.157 19.845 -0.271 1.00 0.00 C ATOM 338 CG GLU A 172 0.405 20.192 -1.565 1.00 0.00 C ATOM 339 CD GLU A 172 1.273 21.050 -2.496 1.00 0.00 C ATOM 340 OE1 GLU A 172 1.238 22.298 -2.352 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.976 20.465 -3.357 1.00 0.00 O ATOM 0 H GLU A 172 -0.846 20.654 0.949 1.00 0.00 H new ATOM 0 HA GLU A 172 0.025 18.038 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.404 20.764 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 172 2.100 19.358 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 172 0.114 19.275 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.513 20.727 -1.323 1.00 0.00 H new ATOM 348 N LYS A 173 0.896 18.895 3.103 1.00 0.00 N ATOM 349 CA LYS A 173 1.658 18.454 4.295 1.00 0.00 C ATOM 350 C LYS A 173 0.981 17.216 4.921 1.00 0.00 C ATOM 351 O LYS A 173 1.492 16.666 5.900 1.00 0.00 O ATOM 352 CB LYS A 173 1.699 19.596 5.332 1.00 0.00 C ATOM 353 CG LYS A 173 2.373 20.896 4.851 1.00 0.00 C ATOM 354 CD LYS A 173 3.884 20.778 4.599 1.00 0.00 C ATOM 355 CE LYS A 173 4.657 20.483 5.890 1.00 0.00 C ATOM 356 NZ LYS A 173 6.114 20.446 5.644 1.00 0.00 N ATOM 0 H LYS A 173 0.119 19.521 3.312 1.00 0.00 H new ATOM 0 HA LYS A 173 2.674 18.196 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.678 19.826 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.223 19.241 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 173 1.889 21.222 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.202 21.675 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 173 4.071 19.985 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 173 4.252 21.705 4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.431 21.246 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.331 19.528 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 6.611 20.245 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 6.330 19.702 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 6.427 21.366 5.273 1.00 0.00 H new ATOM 370 N CYS A 174 -0.148 16.725 4.382 1.00 0.00 N ATOM 371 CA CYS A 174 -0.804 15.524 4.909 1.00 0.00 C ATOM 372 C CYS A 174 0.122 14.307 4.730 1.00 0.00 C ATOM 373 O CYS A 174 0.609 14.056 3.621 1.00 0.00 O ATOM 374 CB CYS A 174 -2.111 15.288 4.155 1.00 0.00 C ATOM 375 SG CYS A 174 -3.045 14.017 5.048 1.00 0.00 S ATOM 0 H CYS A 174 -0.622 17.144 3.582 1.00 0.00 H new ATOM 0 HA CYS A 174 -1.015 15.662 5.969 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.687 16.211 4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.910 14.967 3.133 1.00 0.00 H new ATOM 0 HG CYS A 174 -4.210 14.488 5.381 1.00 0.00 H new ATOM 380 N GLN A 175 0.403 13.530 5.778 1.00 0.00 N ATOM 381 CA GLN A 175 1.286 12.366 5.671 1.00 0.00 C ATOM 382 C GLN A 175 0.484 11.138 5.177 1.00 0.00 C ATOM 383 O GLN A 175 0.964 10.014 5.285 1.00 0.00 O ATOM 384 CB GLN A 175 1.898 12.057 7.049 1.00 0.00 C ATOM 385 CG GLN A 175 2.909 13.117 7.508 1.00 0.00 C ATOM 386 CD GLN A 175 3.932 12.511 8.468 1.00 0.00 C ATOM 387 OE1 GLN A 175 4.947 11.954 8.067 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.721 12.588 9.763 1.00 0.00 N ATOM 0 H GLN A 175 0.030 13.687 6.714 1.00 0.00 H new ATOM 0 HA GLN A 175 2.081 12.585 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.099 11.982 7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.390 11.085 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.421 13.537 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.385 13.938 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 175 2.882 13.048 10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.396 12.188 10.414 1.00 0.00 H new ATOM 397 N PHE A 176 -0.733 11.299 4.637 1.00 0.00 N ATOM 398 CA PHE A 176 -1.550 10.152 4.179 1.00 0.00 C ATOM 399 C PHE A 176 -1.909 10.328 2.687 1.00 0.00 C ATOM 400 O PHE A 176 -1.730 11.416 2.133 1.00 0.00 O ATOM 401 CB PHE A 176 -2.834 10.074 5.016 1.00 0.00 C ATOM 402 CG PHE A 176 -2.567 9.743 6.478 1.00 0.00 C ATOM 403 CD1 PHE A 176 -2.223 10.762 7.389 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.616 8.409 6.925 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.920 10.450 8.726 1.00 0.00 C ATOM 406 CE2 PHE A 176 -2.320 8.096 8.265 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.965 9.117 9.164 1.00 0.00 C ATOM 0 H PHE A 176 -1.177 12.207 4.504 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.981 9.230 4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -3.361 11.026 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.493 9.317 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -2.192 11.789 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.882 7.621 6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.652 11.236 9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.366 7.071 8.603 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.727 8.876 10.190 1.00 0.00 H new ATOM 417 N ALA A 177 -2.320 9.275 1.977 1.00 0.00 N ATOM 418 CA ALA A 177 -2.486 9.330 0.517 1.00 0.00 C ATOM 419 C ALA A 177 -3.839 9.993 0.162 1.00 0.00 C ATOM 420 O ALA A 177 -4.896 9.445 0.483 1.00 0.00 O ATOM 421 CB ALA A 177 -2.452 7.907 -0.049 1.00 0.00 C ATOM 0 H ALA A 177 -2.546 8.369 2.388 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.677 9.919 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.575 7.943 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.496 7.442 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -3.261 7.322 0.389 1.00 0.00 H new ATOM 427 N HIS A 178 -3.861 11.106 -0.591 1.00 0.00 N ATOM 428 CA HIS A 178 -5.121 11.659 -1.135 1.00 0.00 C ATOM 429 C HIS A 178 -5.469 10.942 -2.463 1.00 0.00 C ATOM 430 O HIS A 178 -6.646 10.845 -2.819 1.00 0.00 O ATOM 431 CB HIS A 178 -4.954 13.171 -1.390 1.00 0.00 C ATOM 432 CG HIS A 178 -4.743 13.991 -0.135 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.245 15.276 -0.067 1.00 0.00 N ATOM 434 CD2 HIS A 178 -5.045 13.609 1.142 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.242 15.646 1.228 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.720 14.657 1.999 1.00 0.00 N ATOM 0 H HIS A 178 -3.028 11.640 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.926 11.502 -0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -4.106 13.324 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.839 13.541 -1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.464 12.658 1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -3.903 16.604 1.594 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.825 14.670 3.014 1.00 0.00 H new ATOM 444 N GLY A 179 -4.496 10.377 -3.191 1.00 0.00 N ATOM 445 CA GLY A 179 -4.779 9.536 -4.367 1.00 0.00 C ATOM 446 C GLY A 179 -3.890 8.288 -4.327 1.00 0.00 C ATOM 447 O GLY A 179 -2.870 8.279 -3.638 1.00 0.00 O ATOM 0 H GLY A 179 -3.503 10.486 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.830 9.247 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.595 10.098 -5.283 1.00 0.00 H new ATOM 724 N GLU A 195 3.049 -16.113 10.118 1.00 0.00 N ATOM 725 CA GLU A 195 2.543 -16.720 11.368 1.00 0.00 C ATOM 726 C GLU A 195 1.171 -16.125 11.717 1.00 0.00 C ATOM 727 O GLU A 195 0.918 -14.948 11.447 1.00 0.00 O ATOM 728 CB GLU A 195 3.532 -16.442 12.513 1.00 0.00 C ATOM 729 CG GLU A 195 4.653 -17.494 12.548 1.00 0.00 C ATOM 730 CD GLU A 195 4.149 -18.891 12.951 1.00 0.00 C ATOM 731 OE1 GLU A 195 3.280 -18.983 13.854 1.00 0.00 O ATOM 732 OE2 GLU A 195 4.609 -19.880 12.330 1.00 0.00 O ATOM 0 HA GLU A 195 2.442 -17.796 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.965 -15.449 12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.000 -16.442 13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.122 -17.552 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.423 -17.174 13.250 1.00 0.00 H new ATOM 739 N LEU A 196 0.258 -16.888 12.337 1.00 0.00 N ATOM 740 CA LEU A 196 -1.066 -16.375 12.716 1.00 0.00 C ATOM 741 C LEU A 196 -0.911 -15.280 13.777 1.00 0.00 C ATOM 742 O LEU A 196 -0.220 -15.486 14.782 1.00 0.00 O ATOM 743 CB LEU A 196 -1.920 -17.525 13.285 1.00 0.00 C ATOM 744 CG LEU A 196 -2.182 -18.696 12.317 1.00 0.00 C ATOM 745 CD1 LEU A 196 -3.073 -19.732 13.003 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.864 -18.259 11.018 1.00 0.00 C ATOM 0 H LEU A 196 0.414 -17.865 12.587 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.556 -15.958 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.427 -17.915 14.175 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.880 -17.119 13.605 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.209 -19.113 12.058 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -3.259 -20.561 12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.575 -20.104 13.898 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -4.021 -19.270 13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -3.021 -19.128 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.825 -17.800 11.248 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.232 -17.538 10.500 1.00 0.00 H new ATOM 758 N CYS A 197 -1.564 -14.128 13.635 1.00 0.00 N ATOM 759 CA CYS A 197 -1.548 -13.094 14.669 1.00 0.00 C ATOM 760 C CYS A 197 -2.235 -13.625 15.932 1.00 0.00 C ATOM 761 O CYS A 197 -3.444 -13.884 15.922 1.00 0.00 O ATOM 762 CB CYS A 197 -2.282 -11.852 14.158 1.00 0.00 C ATOM 763 SG CYS A 197 -2.256 -10.493 15.361 1.00 0.00 S ATOM 0 H CYS A 197 -2.113 -13.886 12.810 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.518 -12.828 14.907 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.823 -11.519 13.227 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.315 -12.112 13.929 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.666 -9.460 14.836 1.00 0.00 H new ATOM 768 N ARG A 198 -1.503 -13.874 17.016 1.00 0.00 N ATOM 769 CA ARG A 198 -2.070 -14.511 18.222 1.00 0.00 C ATOM 770 C ARG A 198 -3.195 -13.639 18.786 1.00 0.00 C ATOM 771 O ARG A 198 -4.270 -14.148 19.079 1.00 0.00 O ATOM 772 CB ARG A 198 -0.966 -14.686 19.283 1.00 0.00 C ATOM 773 CG ARG A 198 0.188 -15.613 18.849 1.00 0.00 C ATOM 774 CD ARG A 198 -0.269 -16.951 18.243 1.00 0.00 C ATOM 775 NE ARG A 198 0.844 -17.911 18.110 1.00 0.00 N ATOM 776 CZ ARG A 198 1.468 -18.299 17.007 1.00 0.00 C ATOM 777 NH1 ARG A 198 1.227 -17.820 15.818 1.00 0.00 N ATOM 778 NH2 ARG A 198 2.393 -19.217 17.072 1.00 0.00 N ATOM 0 H ARG A 198 -0.512 -13.647 17.092 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.473 -15.489 17.957 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.557 -13.706 19.530 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.413 -15.084 20.194 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.805 -15.089 18.119 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.820 -15.816 19.713 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -1.048 -17.385 18.870 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.711 -16.772 17.263 1.00 0.00 H new ATOM 0 HE ARG A 198 1.176 -18.330 18.979 1.00 0.00 H new ATOM 0 HH11 ARG A 198 0.518 -17.098 15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 198 1.748 -18.168 15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 198 2.635 -19.635 17.971 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.874 -19.517 16.224 1.00 0.00 H new ATOM 792 N THR A 199 -3.010 -12.321 18.935 1.00 0.00 N ATOM 793 CA THR A 199 -4.073 -11.425 19.452 1.00 0.00 C ATOM 794 C THR A 199 -5.321 -11.496 18.543 1.00 0.00 C ATOM 795 O THR A 199 -6.431 -11.667 19.049 1.00 0.00 O ATOM 796 CB THR A 199 -3.549 -9.976 19.498 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.264 -9.940 20.090 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.432 -9.040 20.316 1.00 0.00 C ATOM 0 H THR A 199 -2.138 -11.844 18.707 1.00 0.00 H new ATOM 0 HA THR A 199 -4.349 -11.746 20.456 1.00 0.00 H new ATOM 0 HB THR A 199 -3.537 -9.639 18.461 1.00 0.00 H new ATOM 0 HG1 THR A 199 -1.940 -9.015 20.113 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.006 -8.037 20.307 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.432 -9.013 19.884 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.490 -9.400 21.343 1.00 0.00 H new ATOM 806 N PHE A 200 -5.202 -11.430 17.212 1.00 0.00 N ATOM 807 CA PHE A 200 -6.385 -11.507 16.322 1.00 0.00 C ATOM 808 C PHE A 200 -7.048 -12.903 16.454 1.00 0.00 C ATOM 809 O PHE A 200 -8.273 -12.998 16.523 1.00 0.00 O ATOM 810 CB PHE A 200 -5.954 -11.276 14.871 1.00 0.00 C ATOM 811 CG PHE A 200 -7.129 -11.109 13.921 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.739 -9.849 13.757 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.626 -12.219 13.211 1.00 0.00 C ATOM 814 CE1 PHE A 200 -8.831 -9.700 12.880 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.717 -12.070 12.335 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.319 -10.811 12.168 1.00 0.00 C ATOM 0 H PHE A 200 -4.313 -11.325 16.724 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.103 -10.739 16.611 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.325 -10.387 14.822 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.344 -12.117 14.541 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.368 -8.996 14.305 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.168 -13.189 13.339 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.294 -8.732 12.754 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.092 -12.924 11.790 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.155 -10.697 11.494 1.00 0.00 H new ATOM 826 N HIS A 201 -6.287 -13.995 16.525 1.00 0.00 N ATOM 827 CA HIS A 201 -6.864 -15.359 16.655 1.00 0.00 C ATOM 828 C HIS A 201 -7.224 -15.652 18.141 1.00 0.00 C ATOM 829 O HIS A 201 -7.755 -16.726 18.440 1.00 0.00 O ATOM 830 CB HIS A 201 -5.839 -16.396 16.156 1.00 0.00 C ATOM 831 CG HIS A 201 -5.796 -16.468 14.646 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.347 -17.498 13.880 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.351 -15.488 13.807 1.00 0.00 C ATOM 834 CE1 HIS A 201 -6.226 -17.113 12.598 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.636 -15.907 12.527 1.00 0.00 N ATOM 0 H HIS A 201 -5.268 -13.975 16.496 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.772 -15.421 16.055 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.850 -16.140 16.535 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -6.090 -17.377 16.559 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.869 -14.564 14.092 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.556 -17.690 11.747 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.434 -15.391 11.671 1.00 0.00 H new ATOM 843 N THR A 202 -7.043 -14.709 19.079 1.00 0.00 N ATOM 844 CA THR A 202 -7.480 -14.904 20.490 1.00 0.00 C ATOM 845 C THR A 202 -8.638 -13.949 20.810 1.00 0.00 C ATOM 846 O THR A 202 -9.752 -14.402 21.081 1.00 0.00 O ATOM 847 CB THR A 202 -6.302 -14.625 21.443 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.266 -15.551 21.199 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.687 -14.812 22.915 1.00 0.00 C ATOM 0 H THR A 202 -6.602 -13.807 18.898 1.00 0.00 H new ATOM 0 HA THR A 202 -7.814 -15.933 20.622 1.00 0.00 H new ATOM 0 HB THR A 202 -6.000 -13.594 21.262 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.724 -15.243 20.443 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.823 -14.604 23.546 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.496 -14.127 23.169 1.00 0.00 H new ATOM 0 HG23 THR A 202 -7.016 -15.838 23.077 1.00 0.00 H new ATOM 857 N ILE A 203 -8.436 -12.622 20.791 1.00 0.00 N ATOM 858 CA ILE A 203 -9.506 -11.655 21.129 1.00 0.00 C ATOM 859 C ILE A 203 -10.477 -11.512 19.934 1.00 0.00 C ATOM 860 O ILE A 203 -11.547 -10.916 20.076 1.00 0.00 O ATOM 861 CB ILE A 203 -8.873 -10.265 21.454 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.535 -10.360 22.234 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.873 -9.419 22.263 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.959 -9.035 22.757 1.00 0.00 C ATOM 0 H ILE A 203 -7.545 -12.189 20.546 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.054 -12.017 21.999 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.648 -9.796 20.496 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.680 -11.029 23.082 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.792 -10.824 21.585 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.430 -8.449 22.489 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.783 -9.275 21.680 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.115 -9.933 23.193 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.025 -9.227 23.284 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.771 -8.364 21.919 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.672 -8.572 23.439 1.00 0.00 H new ATOM 876 N GLY A 204 -10.142 -12.013 18.735 1.00 0.00 N ATOM 877 CA GLY A 204 -10.958 -11.774 17.531 1.00 0.00 C ATOM 878 C GLY A 204 -10.631 -10.382 16.953 1.00 0.00 C ATOM 879 O GLY A 204 -11.259 -9.956 15.979 1.00 0.00 O ATOM 0 H GLY A 204 -9.314 -12.585 18.572 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.759 -12.544 16.786 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.018 -11.836 17.779 1.00 0.00 H new ATOM 883 N PHE A 205 -9.674 -9.630 17.525 1.00 0.00 N ATOM 884 CA PHE A 205 -9.348 -8.280 17.053 1.00 0.00 C ATOM 885 C PHE A 205 -7.854 -7.997 17.292 1.00 0.00 C ATOM 886 O PHE A 205 -7.209 -8.700 18.073 1.00 0.00 O ATOM 887 CB PHE A 205 -10.195 -7.251 17.824 1.00 0.00 C ATOM 888 CG PHE A 205 -9.935 -5.802 17.454 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.274 -5.335 16.170 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.302 -4.935 18.368 1.00 0.00 C ATOM 891 CE1 PHE A 205 -9.983 -4.008 15.802 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.011 -3.609 17.999 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.351 -3.146 16.716 1.00 0.00 C ATOM 0 H PHE A 205 -9.113 -9.940 18.318 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.564 -8.206 15.987 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.249 -7.470 17.655 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.011 -7.377 18.891 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.758 -5.996 15.466 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.040 -5.290 19.354 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.245 -3.651 14.817 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.526 -2.947 18.701 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.127 -2.128 16.432 1.00 0.00 H new ATOM 903 N CYS A 206 -7.267 -6.962 16.668 1.00 0.00 N ATOM 904 CA CYS A 206 -5.857 -6.626 16.870 1.00 0.00 C ATOM 905 C CYS A 206 -5.684 -5.092 16.842 1.00 0.00 C ATOM 906 O CYS A 206 -6.169 -4.432 15.913 1.00 0.00 O ATOM 907 CB CYS A 206 -5.021 -7.259 15.756 1.00 0.00 C ATOM 908 SG CYS A 206 -3.255 -6.917 15.968 1.00 0.00 S ATOM 0 H CYS A 206 -7.754 -6.345 16.018 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.524 -7.008 17.835 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.184 -8.337 15.746 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.352 -6.877 14.790 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.595 -8.037 15.983 1.00 0.00 H new ATOM 913 N PRO A 207 -5.017 -4.473 17.838 1.00 0.00 N ATOM 914 CA PRO A 207 -4.903 -3.020 17.915 1.00 0.00 C ATOM 915 C PRO A 207 -3.966 -2.500 16.807 1.00 0.00 C ATOM 916 O PRO A 207 -3.948 -1.295 16.536 1.00 0.00 O ATOM 917 CB PRO A 207 -4.338 -2.641 19.285 1.00 0.00 C ATOM 918 CG PRO A 207 -3.587 -3.922 19.668 1.00 0.00 C ATOM 919 CD PRO A 207 -4.386 -5.058 19.011 1.00 0.00 C ATOM 0 HA PRO A 207 -5.887 -2.571 17.779 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.676 -1.777 19.231 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.124 -2.396 20.000 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.559 -3.901 19.306 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.541 -4.045 20.750 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.733 -5.885 18.732 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.132 -5.459 19.697 1.00 0.00 H new ATOM 927 N TYR A 208 -3.201 -3.356 16.108 1.00 0.00 N ATOM 928 CA TYR A 208 -2.337 -2.899 15.006 1.00 0.00 C ATOM 929 C TYR A 208 -3.161 -2.822 13.696 1.00 0.00 C ATOM 930 O TYR A 208 -2.762 -2.130 12.757 1.00 0.00 O ATOM 931 CB TYR A 208 -1.167 -3.881 14.826 1.00 0.00 C ATOM 932 CG TYR A 208 -0.192 -3.948 15.991 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.526 -4.636 17.176 1.00 0.00 C ATOM 934 CD2 TYR A 208 1.066 -3.327 15.884 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.371 -4.672 18.261 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.961 -3.352 16.970 1.00 0.00 C ATOM 937 CZ TYR A 208 1.620 -4.023 18.161 1.00 0.00 C ATOM 938 OH TYR A 208 2.506 -4.052 19.194 1.00 0.00 O ATOM 0 H TYR A 208 -3.163 -4.360 16.284 1.00 0.00 H new ATOM 0 HA TYR A 208 -1.944 -1.910 15.242 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.573 -4.878 14.656 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -0.616 -3.604 13.927 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.478 -5.140 17.252 1.00 0.00 H new ATOM 0 HD2 TYR A 208 1.345 -2.830 14.967 1.00 0.00 H new ATOM 0 HE1 TYR A 208 0.104 -5.195 19.167 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.916 -2.853 16.890 1.00 0.00 H new ATOM 0 HH TYR A 208 3.313 -3.553 18.947 1.00 0.00 H new ATOM 948 N GLY A 209 -4.348 -3.446 13.616 1.00 0.00 N ATOM 949 CA GLY A 209 -5.242 -3.295 12.450 1.00 0.00 C ATOM 950 C GLY A 209 -4.542 -3.822 11.176 1.00 0.00 C ATOM 951 O GLY A 209 -3.772 -4.784 11.246 1.00 0.00 O ATOM 0 H GLY A 209 -4.713 -4.060 14.344 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.169 -3.843 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.510 -2.247 12.320 1.00 0.00 H new ATOM 955 N PRO A 210 -4.795 -3.242 9.982 1.00 0.00 N ATOM 956 CA PRO A 210 -4.204 -3.728 8.731 1.00 0.00 C ATOM 957 C PRO A 210 -2.680 -3.456 8.724 1.00 0.00 C ATOM 958 O PRO A 210 -1.958 -4.013 7.891 1.00 0.00 O ATOM 959 CB PRO A 210 -4.863 -2.999 7.559 1.00 0.00 C ATOM 960 CG PRO A 210 -5.345 -1.710 8.240 1.00 0.00 C ATOM 961 CD PRO A 210 -5.667 -2.115 9.686 1.00 0.00 C ATOM 0 HA PRO A 210 -4.368 -4.802 8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.159 -2.799 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.686 -3.570 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -4.577 -0.937 8.209 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.224 -1.305 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.486 -1.289 10.374 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -6.716 -2.393 9.791 1.00 0.00 H new ATOM 969 N ARG A 211 -2.142 -2.638 9.646 1.00 0.00 N ATOM 970 CA ARG A 211 -0.687 -2.382 9.725 1.00 0.00 C ATOM 971 C ARG A 211 0.011 -3.534 10.484 1.00 0.00 C ATOM 972 O ARG A 211 1.229 -3.487 10.682 1.00 0.00 O ATOM 973 CB ARG A 211 -0.440 -1.057 10.469 1.00 0.00 C ATOM 974 CG ARG A 211 -1.250 0.138 9.932 1.00 0.00 C ATOM 975 CD ARG A 211 -0.741 1.436 10.567 1.00 0.00 C ATOM 976 NE ARG A 211 -1.677 2.558 10.379 1.00 0.00 N ATOM 977 CZ ARG A 211 -2.002 3.483 11.268 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.593 3.450 12.508 1.00 0.00 N ATOM 979 NH2 ARG A 211 -2.763 4.487 10.931 1.00 0.00 N ATOM 0 H ARG A 211 -2.690 -2.141 10.348 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.280 -2.319 8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -0.679 -1.197 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.621 -0.815 10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.159 0.193 8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.308 0.003 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -0.579 1.276 11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 211 0.225 1.695 10.133 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.123 2.630 9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -0.996 2.687 12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.871 4.187 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.113 4.564 9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -3.009 5.195 11.623 1.00 0.00 H new ATOM 993 N CYS A 212 -0.708 -4.577 10.938 1.00 0.00 N ATOM 994 CA CYS A 212 -0.092 -5.673 11.694 1.00 0.00 C ATOM 995 C CYS A 212 0.804 -6.518 10.756 1.00 0.00 C ATOM 996 O CYS A 212 0.480 -6.692 9.575 1.00 0.00 O ATOM 997 CB CYS A 212 -1.192 -6.559 12.295 1.00 0.00 C ATOM 998 SG CYS A 212 -0.500 -7.725 13.498 1.00 0.00 S ATOM 0 H CYS A 212 -1.712 -4.680 10.793 1.00 0.00 H new ATOM 0 HA CYS A 212 0.521 -5.260 12.495 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -1.943 -5.935 12.779 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.697 -7.108 11.500 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.114 -7.590 14.636 1.00 0.00 H new ATOM 1003 N HIS A 213 1.938 -7.049 11.229 1.00 0.00 N ATOM 1004 CA HIS A 213 2.864 -7.829 10.377 1.00 0.00 C ATOM 1005 C HIS A 213 2.470 -9.329 10.400 1.00 0.00 C ATOM 1006 O HIS A 213 3.132 -10.150 9.757 1.00 0.00 O ATOM 1007 CB HIS A 213 4.291 -7.668 10.910 1.00 0.00 C ATOM 1008 CG HIS A 213 4.815 -6.265 10.694 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.172 -5.720 9.456 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.973 -5.308 11.654 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.537 -4.450 9.700 1.00 0.00 C ATOM 1012 NE2 HIS A 213 5.430 -4.176 11.012 1.00 0.00 N ATOM 0 H HIS A 213 2.243 -6.956 12.198 1.00 0.00 H new ATOM 0 HA HIS A 213 2.807 -7.463 9.352 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.311 -7.904 11.974 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.948 -8.382 10.413 1.00 0.00 H new ATOM 0 HD2 HIS A 213 4.778 -5.416 12.711 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.869 -3.749 8.949 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.649 -3.284 11.456 1.00 0.00 H new ATOM 1020 N PHE A 214 1.439 -9.736 11.157 1.00 0.00 N ATOM 1021 CA PHE A 214 1.107 -11.171 11.339 1.00 0.00 C ATOM 1022 C PHE A 214 -0.251 -11.488 10.661 1.00 0.00 C ATOM 1023 O PHE A 214 -1.023 -10.572 10.361 1.00 0.00 O ATOM 1024 CB PHE A 214 1.029 -11.487 12.832 1.00 0.00 C ATOM 1025 CG PHE A 214 2.395 -11.341 13.480 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.803 -10.099 14.005 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.297 -12.422 13.477 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.102 -9.940 14.522 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.594 -12.265 13.999 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.995 -11.024 14.519 1.00 0.00 C ATOM 0 H PHE A 214 0.818 -9.098 11.655 1.00 0.00 H new ATOM 0 HA PHE A 214 1.882 -11.784 10.879 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.318 -10.817 13.315 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.659 -12.502 12.976 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.116 -9.266 14.011 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.992 -13.376 13.072 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.412 -8.985 14.921 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.281 -13.099 14.000 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.992 -10.903 14.917 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.552 -12.758 10.337 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.744 -13.104 9.528 1.00 0.00 C ATOM 1042 C ILE A 215 -3.020 -12.885 10.359 1.00 0.00 C ATOM 1043 O ILE A 215 -3.240 -13.586 11.350 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.663 -14.592 9.083 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.386 -14.923 8.277 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.905 -14.947 8.233 1.00 0.00 C ATOM 1047 CD1 ILE A 215 -0.142 -16.429 8.104 1.00 0.00 C ATOM 0 H ILE A 215 0.009 -13.562 10.620 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.774 -12.464 8.646 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.629 -15.188 9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.457 -14.459 7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.475 -14.479 8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.847 -15.990 7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.807 -14.795 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.938 -14.307 7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.771 -16.586 7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -0.039 -16.896 9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.985 -16.876 7.576 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.915 -11.988 9.960 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.235 -11.860 10.594 1.00 0.00 C ATOM 1061 C HIS A 216 -6.208 -12.893 9.978 1.00 0.00 C ATOM 1062 O HIS A 216 -6.211 -14.055 10.392 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.775 -10.432 10.372 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.113 -9.406 11.263 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.484 -8.085 11.380 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.113 -9.631 12.173 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.728 -7.535 12.348 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -3.893 -8.445 12.870 1.00 0.00 N ATOM 0 H HIS A 216 -3.755 -11.332 9.196 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.146 -12.048 11.664 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.625 -10.151 9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.850 -10.423 10.553 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.588 -10.563 12.323 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.786 -6.503 12.661 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.227 -8.298 13.629 1.00 0.00 H new