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 118:sc= 1.06 USER MOD Set 1.2: A 206 CYS SG : rot 125:sc= 0.603 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.532 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.512 X(o=1.7,f=1.4) USER MOD Set 2.1: A 159 CYS SG : rot 120:sc= 0.508 USER MOD Set 2.2: A 168 CYS SG : rot 126:sc= 0.55 USER MOD Set 2.3: A 174 CYS SG : rot 120:sc= 0.81 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.426 K(o=1.4,f=0.5) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00428) USER MOD Single : A 175 GLN : amide:sc= -0.265 X(o=-0.26,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 201 HIS : no HD1:sc= 0.396 K(o=0.4,f=-1.3) USER MOD Single : A 202 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.988 8.963 3.291 1.00 0.00 N ATOM 74 CA LYS A 155 2.045 8.668 2.171 1.00 0.00 C ATOM 75 C LYS A 155 2.030 7.150 1.869 1.00 0.00 C ATOM 76 O LYS A 155 1.822 6.753 0.722 1.00 0.00 O ATOM 77 CB LYS A 155 2.475 9.459 0.909 1.00 0.00 C ATOM 78 CG LYS A 155 2.203 10.942 1.236 1.00 0.00 C ATOM 79 CD LYS A 155 2.164 11.863 0.018 1.00 0.00 C ATOM 80 CE LYS A 155 1.812 13.273 0.496 1.00 0.00 C ATOM 81 NZ LYS A 155 1.910 14.260 -0.596 1.00 0.00 N ATOM 0 HA LYS A 155 1.040 8.973 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.529 9.294 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.908 9.140 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.251 11.016 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.974 11.297 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.129 11.863 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.425 11.510 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.800 13.278 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.481 13.560 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.664 15.204 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.882 14.273 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 1.253 14.000 -1.359 1.00 0.00 H new ATOM 95 N THR A 156 2.171 6.273 2.866 1.00 0.00 N ATOM 96 CA THR A 156 2.015 4.813 2.654 1.00 0.00 C ATOM 97 C THR A 156 0.577 4.398 2.970 1.00 0.00 C ATOM 98 O THR A 156 0.175 3.275 2.653 1.00 0.00 O ATOM 99 CB THR A 156 2.979 4.049 3.573 1.00 0.00 C ATOM 100 OG1 THR A 156 2.788 4.315 4.947 1.00 0.00 O ATOM 101 CG2 THR A 156 4.420 4.339 3.161 1.00 0.00 C ATOM 0 H THR A 156 2.392 6.536 3.826 1.00 0.00 H new ATOM 0 HA THR A 156 2.242 4.577 1.614 1.00 0.00 H new ATOM 0 HB THR A 156 2.760 2.989 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.432 3.796 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.102 3.795 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.575 4.020 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.614 5.408 3.243 1.00 0.00 H new ATOM 109 N GLU A 157 -0.237 5.256 3.610 1.00 0.00 N ATOM 110 CA GLU A 157 -1.603 4.890 4.028 1.00 0.00 C ATOM 111 C GLU A 157 -2.605 5.920 3.481 1.00 0.00 C ATOM 112 O GLU A 157 -2.261 7.098 3.325 1.00 0.00 O ATOM 113 CB GLU A 157 -1.672 4.865 5.568 1.00 0.00 C ATOM 114 CG GLU A 157 -2.960 4.276 6.143 1.00 0.00 C ATOM 115 CD GLU A 157 -2.927 4.226 7.677 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.182 3.379 8.227 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.659 5.028 8.303 1.00 0.00 O ATOM 0 H GLU A 157 0.028 6.211 3.850 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.854 3.905 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.826 4.291 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.557 5.883 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.811 4.874 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.108 3.270 5.749 1.00 0.00 H new ATOM 124 N LEU A 158 -3.844 5.525 3.139 1.00 0.00 N ATOM 125 CA LEU A 158 -4.830 6.450 2.546 1.00 0.00 C ATOM 126 C LEU A 158 -5.159 7.580 3.538 1.00 0.00 C ATOM 127 O LEU A 158 -5.402 7.314 4.719 1.00 0.00 O ATOM 128 CB LEU A 158 -6.118 5.680 2.214 1.00 0.00 C ATOM 129 CG LEU A 158 -6.194 4.978 0.854 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.563 4.293 0.809 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.090 5.962 -0.317 1.00 0.00 C ATOM 0 H LEU A 158 -4.188 4.573 3.262 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.410 6.881 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.269 4.929 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.953 6.378 2.279 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.363 4.280 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.678 3.772 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.638 3.576 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.348 5.042 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.149 5.415 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.908 6.680 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.139 6.491 -0.264 1.00 0.00 H new ATOM 143 N CYS A 159 -5.318 8.826 3.080 1.00 0.00 N ATOM 144 CA CYS A 159 -5.840 9.904 3.918 1.00 0.00 C ATOM 145 C CYS A 159 -7.364 9.748 4.052 1.00 0.00 C ATOM 146 O CYS A 159 -8.105 10.076 3.116 1.00 0.00 O ATOM 147 CB CYS A 159 -5.513 11.251 3.271 1.00 0.00 C ATOM 148 SG CYS A 159 -5.991 12.659 4.310 1.00 0.00 S ATOM 0 H CYS A 159 -5.090 9.111 2.128 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.383 9.859 4.907 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.443 11.302 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.025 11.322 2.311 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.939 13.371 4.586 1.00 0.00 H new ATOM 153 N ARG A 160 -7.881 9.156 5.142 1.00 0.00 N ATOM 154 CA ARG A 160 -9.312 8.797 5.231 1.00 0.00 C ATOM 155 C ARG A 160 -10.188 10.082 5.244 1.00 0.00 C ATOM 156 O ARG A 160 -11.221 10.114 4.582 1.00 0.00 O ATOM 157 CB ARG A 160 -9.563 7.983 6.512 1.00 0.00 C ATOM 158 CG ARG A 160 -8.652 6.752 6.675 1.00 0.00 C ATOM 159 CD ARG A 160 -8.573 5.829 5.446 1.00 0.00 C ATOM 160 NE ARG A 160 -9.892 5.306 5.042 1.00 0.00 N ATOM 161 CZ ARG A 160 -10.537 4.274 5.561 1.00 0.00 C ATOM 162 NH1 ARG A 160 -10.056 3.560 6.546 1.00 0.00 N ATOM 163 NH2 ARG A 160 -11.705 3.928 5.093 1.00 0.00 N ATOM 0 H ARG A 160 -7.336 8.916 5.970 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.581 8.196 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.428 8.636 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.602 7.654 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -7.646 7.094 6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -9.005 6.169 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.133 6.377 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -7.907 4.994 5.666 1.00 0.00 H new ATOM 0 HE ARG A 160 -10.359 5.794 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.147 3.791 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -10.590 2.773 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -12.123 4.454 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -12.200 3.132 5.495 1.00 0.00 H new ATOM 177 N PRO A 161 -9.795 11.180 5.944 1.00 0.00 N ATOM 178 CA PRO A 161 -10.564 12.438 5.918 1.00 0.00 C ATOM 179 C PRO A 161 -10.742 12.915 4.458 1.00 0.00 C ATOM 180 O PRO A 161 -11.833 13.361 4.081 1.00 0.00 O ATOM 181 CB PRO A 161 -9.810 13.504 6.716 1.00 0.00 C ATOM 182 CG PRO A 161 -8.962 12.645 7.652 1.00 0.00 C ATOM 183 CD PRO A 161 -8.644 11.399 6.819 1.00 0.00 C ATOM 0 HA PRO A 161 -11.546 12.272 6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.198 14.139 6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.486 14.161 7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.054 13.164 7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.505 12.390 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.735 11.544 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.475 10.535 7.462 1.00 0.00 H new ATOM 191 N PHE A 162 -9.727 12.792 3.586 1.00 0.00 N ATOM 192 CA PHE A 162 -9.853 13.190 2.178 1.00 0.00 C ATOM 193 C PHE A 162 -10.740 12.178 1.429 1.00 0.00 C ATOM 194 O PHE A 162 -11.559 12.576 0.605 1.00 0.00 O ATOM 195 CB PHE A 162 -8.462 13.233 1.530 1.00 0.00 C ATOM 196 CG PHE A 162 -8.482 13.825 0.133 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.404 15.221 -0.039 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.614 12.991 -0.994 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.452 15.778 -1.330 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.665 13.549 -2.284 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.582 14.942 -2.453 1.00 0.00 C ATOM 0 H PHE A 162 -8.810 12.420 3.834 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.310 14.178 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.791 13.819 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.055 12.223 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.307 15.865 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.676 11.920 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.389 16.848 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.768 12.906 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.618 15.370 -3.444 1.00 0.00 H new ATOM 211 N GLU A 163 -10.617 10.871 1.672 1.00 0.00 N ATOM 212 CA GLU A 163 -11.441 9.868 0.969 1.00 0.00 C ATOM 213 C GLU A 163 -12.928 10.027 1.388 1.00 0.00 C ATOM 214 O GLU A 163 -13.829 9.707 0.608 1.00 0.00 O ATOM 215 CB GLU A 163 -10.954 8.456 1.337 1.00 0.00 C ATOM 216 CG GLU A 163 -9.611 8.089 0.688 1.00 0.00 C ATOM 217 CD GLU A 163 -9.760 7.811 -0.814 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.025 6.639 -1.173 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.621 8.771 -1.610 1.00 0.00 O ATOM 0 H GLU A 163 -9.960 10.478 2.346 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.351 10.017 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.858 8.383 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.707 7.729 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.901 8.902 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.198 7.209 1.181 1.00 0.00 H new ATOM 226 N GLU A 164 -13.223 10.470 2.620 1.00 0.00 N ATOM 227 CA GLU A 164 -14.609 10.532 3.128 1.00 0.00 C ATOM 228 C GLU A 164 -15.268 11.859 2.704 1.00 0.00 C ATOM 229 O GLU A 164 -16.443 11.867 2.322 1.00 0.00 O ATOM 230 CB GLU A 164 -14.591 10.441 4.665 1.00 0.00 C ATOM 231 CG GLU A 164 -14.287 9.021 5.168 1.00 0.00 C ATOM 232 CD GLU A 164 -14.118 8.998 6.694 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.142 8.811 7.397 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.969 9.162 7.169 1.00 0.00 O ATOM 0 H GLU A 164 -12.521 10.792 3.287 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.180 9.701 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.843 11.130 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.556 10.762 5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.095 8.349 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.379 8.651 4.693 1.00 0.00 H new ATOM 241 N SER A 165 -14.588 13.011 2.821 1.00 0.00 N ATOM 242 CA SER A 165 -15.244 14.336 2.636 1.00 0.00 C ATOM 243 C SER A 165 -14.609 15.085 1.446 1.00 0.00 C ATOM 244 O SER A 165 -15.114 16.136 1.044 1.00 0.00 O ATOM 245 CB SER A 165 -15.077 15.172 3.915 1.00 0.00 C ATOM 246 OG SER A 165 -15.716 14.538 5.017 1.00 0.00 O ATOM 0 H SER A 165 -13.593 13.063 3.041 1.00 0.00 H new ATOM 0 HA SER A 165 -16.304 14.181 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.017 15.307 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.501 16.165 3.764 1.00 0.00 H new ATOM 0 HG SER A 165 -15.597 15.084 5.822 1.00 0.00 H new ATOM 252 N GLY A 166 -13.537 14.574 0.822 1.00 0.00 N ATOM 253 CA GLY A 166 -12.963 15.196 -0.393 1.00 0.00 C ATOM 254 C GLY A 166 -12.120 16.426 -0.009 1.00 0.00 C ATOM 255 O GLY A 166 -11.694 17.179 -0.888 1.00 0.00 O ATOM 0 H GLY A 166 -13.048 13.735 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.344 14.473 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.763 15.491 -1.073 1.00 0.00 H new ATOM 259 N THR A 167 -11.873 16.694 1.285 1.00 0.00 N ATOM 260 CA THR A 167 -11.104 17.882 1.712 1.00 0.00 C ATOM 261 C THR A 167 -10.115 17.488 2.810 1.00 0.00 C ATOM 262 O THR A 167 -10.378 16.548 3.569 1.00 0.00 O ATOM 263 CB THR A 167 -12.074 18.954 2.252 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.371 20.146 2.526 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.841 18.561 3.520 1.00 0.00 C ATOM 0 H THR A 167 -12.193 16.106 2.055 1.00 0.00 H new ATOM 0 HA THR A 167 -10.555 18.283 0.860 1.00 0.00 H new ATOM 0 HB THR A 167 -12.813 19.079 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.993 20.822 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.495 19.380 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.440 17.672 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.134 18.350 4.322 1.00 0.00 H new ATOM 273 N CYS A 168 -8.970 18.175 2.956 1.00 0.00 N ATOM 274 CA CYS A 168 -8.017 17.880 4.026 1.00 0.00 C ATOM 275 C CYS A 168 -7.364 19.190 4.507 1.00 0.00 C ATOM 276 O CYS A 168 -6.804 19.938 3.696 1.00 0.00 O ATOM 277 CB CYS A 168 -6.937 16.929 3.500 1.00 0.00 C ATOM 278 SG CYS A 168 -5.893 16.409 4.885 1.00 0.00 S ATOM 0 H CYS A 168 -8.686 18.939 2.343 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.538 17.409 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.396 16.061 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.335 17.426 2.739 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.855 15.111 4.936 1.00 0.00 H new ATOM 283 N LYS A 169 -7.435 19.527 5.800 1.00 0.00 N ATOM 284 CA LYS A 169 -6.919 20.822 6.308 1.00 0.00 C ATOM 285 C LYS A 169 -5.384 20.853 6.211 1.00 0.00 C ATOM 286 O LYS A 169 -4.786 21.929 6.304 1.00 0.00 O ATOM 287 CB LYS A 169 -7.340 20.998 7.776 1.00 0.00 C ATOM 288 CG LYS A 169 -8.854 20.866 8.020 1.00 0.00 C ATOM 289 CD LYS A 169 -9.208 20.975 9.509 1.00 0.00 C ATOM 290 CE LYS A 169 -8.654 19.792 10.319 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.058 19.888 11.736 1.00 0.00 N ATOM 0 H LYS A 169 -7.842 18.929 6.519 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.331 21.631 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.820 20.257 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.012 21.979 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.380 21.643 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.201 19.908 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.809 21.907 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.291 21.017 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.017 18.855 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.567 19.774 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.672 19.078 12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.691 20.772 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.096 19.881 11.802 1.00 0.00 H new ATOM 305 N TYR A 170 -4.701 19.720 6.036 1.00 0.00 N ATOM 306 CA TYR A 170 -3.231 19.699 5.945 1.00 0.00 C ATOM 307 C TYR A 170 -2.792 20.020 4.496 1.00 0.00 C ATOM 308 O TYR A 170 -1.658 20.455 4.280 1.00 0.00 O ATOM 309 CB TYR A 170 -2.715 18.314 6.347 1.00 0.00 C ATOM 310 CG TYR A 170 -2.735 18.094 7.850 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.944 17.829 8.525 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.539 18.218 8.584 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.964 17.731 9.930 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.559 18.128 9.987 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.773 17.893 10.668 1.00 0.00 C ATOM 316 OH TYR A 170 -2.805 17.829 12.028 1.00 0.00 O ATOM 0 H TYR A 170 -5.138 18.802 5.954 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.816 20.449 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.324 17.550 5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.696 18.190 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.857 17.701 7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.605 18.383 8.068 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.893 17.531 10.443 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.642 18.239 10.546 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.901 17.960 12.383 1.00 0.00 H new ATOM 326 N GLY A 171 -3.672 19.898 3.486 1.00 0.00 N ATOM 327 CA GLY A 171 -3.356 20.331 2.110 1.00 0.00 C ATOM 328 C GLY A 171 -2.102 19.597 1.600 1.00 0.00 C ATOM 329 O GLY A 171 -1.979 18.384 1.780 1.00 0.00 O ATOM 0 H GLY A 171 -4.606 19.504 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.200 20.125 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.191 21.408 2.088 1.00 0.00 H new ATOM 333 N GLU A 172 -1.165 20.277 0.927 1.00 0.00 N ATOM 334 CA GLU A 172 0.023 19.613 0.336 1.00 0.00 C ATOM 335 C GLU A 172 0.991 19.165 1.456 1.00 0.00 C ATOM 336 O GLU A 172 1.938 18.420 1.189 1.00 0.00 O ATOM 337 CB GLU A 172 0.745 20.598 -0.603 1.00 0.00 C ATOM 338 CG GLU A 172 -0.104 20.981 -1.826 1.00 0.00 C ATOM 339 CD GLU A 172 0.668 21.919 -2.765 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.589 23.155 -2.562 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.339 21.405 -3.694 1.00 0.00 O ATOM 0 H GLU A 172 -1.199 21.285 0.774 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.300 18.737 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.003 21.500 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.681 20.153 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.396 20.080 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -1.023 21.467 -1.497 1.00 0.00 H new ATOM 348 N LYS A 173 0.777 19.555 2.728 1.00 0.00 N ATOM 349 CA LYS A 173 1.642 19.111 3.846 1.00 0.00 C ATOM 350 C LYS A 173 1.027 17.868 4.522 1.00 0.00 C ATOM 351 O LYS A 173 1.601 17.346 5.483 1.00 0.00 O ATOM 352 CB LYS A 173 1.774 20.247 4.880 1.00 0.00 C ATOM 353 CG LYS A 173 2.437 21.510 4.309 1.00 0.00 C ATOM 354 CD LYS A 173 2.614 22.551 5.423 1.00 0.00 C ATOM 355 CE LYS A 173 3.239 23.860 4.928 1.00 0.00 C ATOM 356 NZ LYS A 173 4.632 23.674 4.471 1.00 0.00 N ATOM 0 H LYS A 173 0.017 20.174 3.009 1.00 0.00 H new ATOM 0 HA LYS A 173 2.628 18.857 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.784 20.503 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.357 19.891 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.405 21.260 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 173 1.825 21.922 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 173 1.643 22.765 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.241 22.130 6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 173 2.640 24.260 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 173 3.217 24.598 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 5.026 24.590 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 5.203 23.285 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 4.648 23.016 3.666 1.00 0.00 H new ATOM 370 N CYS A 174 -0.102 17.326 4.036 1.00 0.00 N ATOM 371 CA CYS A 174 -0.665 16.087 4.578 1.00 0.00 C ATOM 372 C CYS A 174 0.335 14.935 4.376 1.00 0.00 C ATOM 373 O CYS A 174 0.809 14.713 3.254 1.00 0.00 O ATOM 374 CB CYS A 174 -1.973 15.763 3.856 1.00 0.00 C ATOM 375 SG CYS A 174 -2.762 14.420 4.787 1.00 0.00 S ATOM 0 H CYS A 174 -0.640 17.730 3.269 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.860 16.213 5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.621 16.639 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.782 15.460 2.826 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.923 14.815 5.218 1.00 0.00 H new ATOM 380 N GLN A 175 0.702 14.188 5.418 1.00 0.00 N ATOM 381 CA GLN A 175 1.665 13.091 5.293 1.00 0.00 C ATOM 382 C GLN A 175 0.943 11.805 4.829 1.00 0.00 C ATOM 383 O GLN A 175 1.537 10.732 4.849 1.00 0.00 O ATOM 384 CB GLN A 175 2.336 12.840 6.654 1.00 0.00 C ATOM 385 CG GLN A 175 3.183 14.015 7.163 1.00 0.00 C ATOM 386 CD GLN A 175 4.128 13.654 8.320 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.035 14.406 8.656 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.010 12.502 8.955 1.00 0.00 N ATOM 0 H GLN A 175 0.345 14.323 6.364 1.00 0.00 H new ATOM 0 HA GLN A 175 2.421 13.362 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.565 12.616 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.969 11.956 6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.773 14.408 6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.517 14.815 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.266 11.853 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.663 12.261 9.701 1.00 0.00 H new ATOM 397 N PHE A 176 -0.331 11.861 4.409 1.00 0.00 N ATOM 398 CA PHE A 176 -1.088 10.648 4.022 1.00 0.00 C ATOM 399 C PHE A 176 -1.522 10.754 2.543 1.00 0.00 C ATOM 400 O PHE A 176 -1.429 11.831 1.947 1.00 0.00 O ATOM 401 CB PHE A 176 -2.328 10.512 4.922 1.00 0.00 C ATOM 402 CG PHE A 176 -1.975 10.116 6.355 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.490 11.073 7.271 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.080 8.772 6.761 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.107 10.690 8.572 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.711 8.390 8.065 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.232 9.349 8.971 1.00 0.00 C ATOM 0 H PHE A 176 -0.862 12.728 4.327 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.455 9.769 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.869 11.458 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.000 9.766 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.412 12.108 6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.446 8.029 6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.718 11.426 9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.797 7.357 8.369 1.00 0.00 H new ATOM 0 HZ PHE A 176 -0.960 9.056 9.974 1.00 0.00 H new ATOM 417 N ALA A 177 -1.910 9.657 1.885 1.00 0.00 N ATOM 418 CA ALA A 177 -2.142 9.656 0.432 1.00 0.00 C ATOM 419 C ALA A 177 -3.541 10.232 0.117 1.00 0.00 C ATOM 420 O ALA A 177 -4.554 9.602 0.434 1.00 0.00 O ATOM 421 CB ALA A 177 -2.050 8.218 -0.093 1.00 0.00 C ATOM 0 H ALA A 177 -2.071 8.755 2.334 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.387 10.275 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.221 8.212 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.059 7.816 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.804 7.603 0.398 1.00 0.00 H new ATOM 427 N HIS A 178 -3.650 11.363 -0.593 1.00 0.00 N ATOM 428 CA HIS A 178 -4.950 11.843 -1.102 1.00 0.00 C ATOM 429 C HIS A 178 -5.321 11.065 -2.385 1.00 0.00 C ATOM 430 O HIS A 178 -6.505 10.902 -2.684 1.00 0.00 O ATOM 431 CB HIS A 178 -4.855 13.349 -1.422 1.00 0.00 C ATOM 432 CG HIS A 178 -4.663 14.245 -0.220 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.303 15.577 -0.233 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.859 13.895 1.087 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.284 16.009 1.042 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.621 15.015 1.879 1.00 0.00 N ATOM 0 H HIS A 178 -2.860 11.963 -0.829 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.717 11.681 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -4.025 13.507 -2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.764 13.653 -1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.149 12.918 1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.033 17.014 1.348 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.689 15.070 2.895 1.00 0.00 H new ATOM 444 N GLY A 179 -4.354 10.529 -3.145 1.00 0.00 N ATOM 445 CA GLY A 179 -4.652 9.693 -4.324 1.00 0.00 C ATOM 446 C GLY A 179 -3.731 8.466 -4.332 1.00 0.00 C ATOM 447 O GLY A 179 -2.617 8.527 -3.806 1.00 0.00 O ATOM 0 H GLY A 179 -3.358 10.658 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.695 9.377 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.512 10.271 -5.237 1.00 0.00 H new ATOM 724 N GLU A 195 3.286 -16.108 10.582 1.00 0.00 N ATOM 725 CA GLU A 195 2.784 -16.835 11.775 1.00 0.00 C ATOM 726 C GLU A 195 1.376 -16.321 12.146 1.00 0.00 C ATOM 727 O GLU A 195 1.017 -15.192 11.801 1.00 0.00 O ATOM 728 CB GLU A 195 3.744 -16.607 12.957 1.00 0.00 C ATOM 729 CG GLU A 195 5.097 -17.323 12.790 1.00 0.00 C ATOM 730 CD GLU A 195 4.986 -18.855 12.682 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.101 -19.441 13.352 1.00 0.00 O ATOM 732 OE2 GLU A 195 5.799 -19.450 11.936 1.00 0.00 O ATOM 0 HA GLU A 195 2.729 -17.900 11.551 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.919 -15.537 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.268 -16.954 13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.591 -16.941 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.735 -17.074 13.638 1.00 0.00 H new ATOM 739 N LEU A 196 0.547 -17.110 12.849 1.00 0.00 N ATOM 740 CA LEU A 196 -0.822 -16.693 13.199 1.00 0.00 C ATOM 741 C LEU A 196 -0.770 -15.563 14.239 1.00 0.00 C ATOM 742 O LEU A 196 0.000 -15.645 15.206 1.00 0.00 O ATOM 743 CB LEU A 196 -1.593 -17.894 13.783 1.00 0.00 C ATOM 744 CG LEU A 196 -1.787 -19.092 12.828 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.612 -20.172 13.532 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.506 -18.723 11.526 1.00 0.00 C ATOM 0 H LEU A 196 0.800 -18.039 13.186 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.329 -16.335 12.303 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.067 -18.243 14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.575 -17.549 14.108 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.788 -19.444 12.569 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.751 -21.019 12.860 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.089 -20.502 14.429 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.585 -19.765 13.808 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.608 -19.611 10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.494 -18.325 11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.927 -17.970 10.992 1.00 0.00 H new ATOM 758 N CYS A 197 -1.586 -14.520 14.115 1.00 0.00 N ATOM 759 CA CYS A 197 -1.647 -13.457 15.118 1.00 0.00 C ATOM 760 C CYS A 197 -2.276 -14.001 16.408 1.00 0.00 C ATOM 761 O CYS A 197 -3.458 -14.360 16.423 1.00 0.00 O ATOM 762 CB CYS A 197 -2.487 -12.297 14.579 1.00 0.00 C ATOM 763 SG CYS A 197 -2.604 -10.925 15.762 1.00 0.00 S ATOM 0 H CYS A 197 -2.218 -14.387 13.326 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.640 -13.102 15.335 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -2.049 -11.936 13.649 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.488 -12.656 14.342 1.00 0.00 H new ATOM 0 HG CYS A 197 -2.060 -9.862 15.249 1.00 0.00 H new ATOM 768 N ARG A 198 -1.521 -14.111 17.503 1.00 0.00 N ATOM 769 CA ARG A 198 -2.041 -14.661 18.774 1.00 0.00 C ATOM 770 C ARG A 198 -3.249 -13.842 19.235 1.00 0.00 C ATOM 771 O ARG A 198 -4.287 -14.413 19.551 1.00 0.00 O ATOM 772 CB ARG A 198 -0.938 -14.607 19.850 1.00 0.00 C ATOM 773 CG ARG A 198 0.071 -15.758 19.677 1.00 0.00 C ATOM 774 CD ARG A 198 1.179 -15.760 20.742 1.00 0.00 C ATOM 775 NE ARG A 198 2.163 -14.676 20.548 1.00 0.00 N ATOM 776 CZ ARG A 198 2.288 -13.558 21.246 1.00 0.00 C ATOM 777 NH1 ARG A 198 1.456 -13.207 22.192 1.00 0.00 N ATOM 778 NH2 ARG A 198 3.284 -12.753 21.001 1.00 0.00 N ATOM 0 H ARG A 198 -0.542 -13.827 17.543 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.346 -15.696 18.620 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.416 -13.652 19.791 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.390 -14.663 20.840 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -0.462 -16.708 19.715 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.526 -15.688 18.689 1.00 0.00 H new ATOM 0 HD2 ARG A 198 0.728 -15.662 21.729 1.00 0.00 H new ATOM 0 HD3 ARG A 198 1.695 -16.720 20.721 1.00 0.00 H new ATOM 0 HE ARG A 198 2.826 -14.804 19.784 1.00 0.00 H new ATOM 0 HH11 ARG A 198 0.664 -13.807 22.423 1.00 0.00 H new ATOM 0 HH12 ARG A 198 1.599 -12.334 22.699 1.00 0.00 H new ATOM 0 HH21 ARG A 198 3.961 -12.986 20.275 1.00 0.00 H new ATOM 0 HH22 ARG A 198 3.386 -11.890 21.535 1.00 0.00 H new ATOM 792 N THR A 199 -3.172 -12.509 19.287 1.00 0.00 N ATOM 793 CA THR A 199 -4.309 -11.663 19.726 1.00 0.00 C ATOM 794 C THR A 199 -5.539 -11.917 18.828 1.00 0.00 C ATOM 795 O THR A 199 -6.629 -12.171 19.349 1.00 0.00 O ATOM 796 CB THR A 199 -3.907 -10.176 19.645 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.596 -9.995 20.149 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.807 -9.252 20.457 1.00 0.00 C ATOM 0 H THR A 199 -2.337 -11.982 19.032 1.00 0.00 H new ATOM 0 HA THR A 199 -4.564 -11.917 20.755 1.00 0.00 H new ATOM 0 HB THR A 199 -3.991 -9.918 18.589 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.351 -9.048 20.091 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.463 -8.223 20.351 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.832 -9.331 20.094 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.771 -9.540 21.508 1.00 0.00 H new ATOM 806 N PHE A 200 -5.428 -11.909 17.495 1.00 0.00 N ATOM 807 CA PHE A 200 -6.599 -12.138 16.617 1.00 0.00 C ATOM 808 C PHE A 200 -7.157 -13.566 16.847 1.00 0.00 C ATOM 809 O PHE A 200 -8.371 -13.749 16.908 1.00 0.00 O ATOM 810 CB PHE A 200 -6.190 -11.977 15.155 1.00 0.00 C ATOM 811 CG PHE A 200 -7.391 -11.979 14.224 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.172 -10.815 14.070 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.763 -13.160 13.550 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.297 -10.827 13.225 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.887 -13.170 12.706 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.651 -12.002 12.538 1.00 0.00 C ATOM 0 H PHE A 200 -4.552 -11.749 16.997 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.371 -11.407 16.857 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.639 -11.045 15.033 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.514 -12.786 14.877 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.906 -9.913 14.601 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.182 -14.061 13.683 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.890 -9.932 13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.164 -14.075 12.186 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.509 -12.007 11.882 1.00 0.00 H new ATOM 826 N HIS A 201 -6.317 -14.592 16.988 1.00 0.00 N ATOM 827 CA HIS A 201 -6.795 -15.989 17.159 1.00 0.00 C ATOM 828 C HIS A 201 -7.119 -16.269 18.657 1.00 0.00 C ATOM 829 O HIS A 201 -7.585 -17.364 18.987 1.00 0.00 O ATOM 830 CB HIS A 201 -5.706 -16.965 16.674 1.00 0.00 C ATOM 831 CG HIS A 201 -5.650 -17.067 15.165 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.116 -18.154 14.420 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.236 -16.092 14.303 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.978 -17.806 13.129 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.458 -16.570 13.030 1.00 0.00 N ATOM 0 H HIS A 201 -5.302 -14.495 16.989 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.702 -16.129 16.571 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.736 -16.638 17.049 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.894 -17.953 17.095 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.816 -15.133 14.568 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.247 -18.431 12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.262 -16.072 12.162 1.00 0.00 H new ATOM 843 N THR A 202 -6.968 -15.301 19.574 1.00 0.00 N ATOM 844 CA THR A 202 -7.360 -15.494 21.000 1.00 0.00 C ATOM 845 C THR A 202 -8.559 -14.597 21.334 1.00 0.00 C ATOM 846 O THR A 202 -9.623 -15.105 21.696 1.00 0.00 O ATOM 847 CB THR A 202 -6.177 -15.137 21.921 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.083 -15.983 21.647 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.517 -15.349 23.398 1.00 0.00 C ATOM 0 H THR A 202 -6.582 -14.380 19.367 1.00 0.00 H new ATOM 0 HA THR A 202 -7.635 -16.537 21.155 1.00 0.00 H new ATOM 0 HB THR A 202 -5.946 -14.088 21.734 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.574 -15.625 20.890 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.655 -15.085 24.011 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.363 -14.718 23.671 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.775 -16.395 23.565 1.00 0.00 H new ATOM 857 N ILE A 203 -8.449 -13.265 21.233 1.00 0.00 N ATOM 858 CA ILE A 203 -9.568 -12.355 21.572 1.00 0.00 C ATOM 859 C ILE A 203 -10.569 -12.299 20.393 1.00 0.00 C ATOM 860 O ILE A 203 -11.651 -11.726 20.531 1.00 0.00 O ATOM 861 CB ILE A 203 -9.011 -10.923 21.850 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.639 -10.918 22.574 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.028 -10.120 22.686 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.132 -9.551 23.058 1.00 0.00 C ATOM 0 H ILE A 203 -7.603 -12.789 20.921 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.077 -12.726 22.461 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.856 -10.461 20.875 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.703 -11.584 23.435 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.894 -11.340 21.899 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.634 -9.122 22.877 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.967 -10.041 22.139 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.202 -10.629 23.634 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.166 -9.674 23.548 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -7.024 -8.880 22.206 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.846 -9.128 23.765 1.00 0.00 H new ATOM 876 N GLY A 204 -10.248 -12.854 19.214 1.00 0.00 N ATOM 877 CA GLY A 204 -11.110 -12.719 18.026 1.00 0.00 C ATOM 878 C GLY A 204 -10.943 -11.311 17.422 1.00 0.00 C ATOM 879 O GLY A 204 -11.653 -10.957 16.479 1.00 0.00 O ATOM 0 H GLY A 204 -9.401 -13.399 19.056 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.848 -13.476 17.287 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.152 -12.887 18.299 1.00 0.00 H new ATOM 883 N PHE A 205 -10.027 -10.472 17.935 1.00 0.00 N ATOM 884 CA PHE A 205 -9.834 -9.110 17.423 1.00 0.00 C ATOM 885 C PHE A 205 -8.368 -8.695 17.611 1.00 0.00 C ATOM 886 O PHE A 205 -7.632 -9.347 18.356 1.00 0.00 O ATOM 887 CB PHE A 205 -10.748 -8.139 18.196 1.00 0.00 C ATOM 888 CG PHE A 205 -10.635 -6.683 17.768 1.00 0.00 C ATOM 889 CD1 PHE A 205 -11.023 -6.304 16.468 1.00 0.00 C ATOM 890 CD2 PHE A 205 -10.079 -5.721 18.636 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.867 -4.971 16.044 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.918 -4.390 18.209 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.312 -4.015 16.913 1.00 0.00 C ATOM 0 H PHE A 205 -9.407 -10.717 18.707 1.00 0.00 H new ATOM 0 HA PHE A 205 -10.085 -9.080 16.363 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.782 -8.460 18.074 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.515 -8.210 19.258 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.441 -7.038 15.795 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.776 -6.007 19.632 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.174 -4.682 15.050 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.492 -3.656 18.877 1.00 0.00 H new ATOM 0 HZ PHE A 205 -10.189 -2.993 16.585 1.00 0.00 H new ATOM 903 N CYS A 206 -7.899 -7.615 16.973 1.00 0.00 N ATOM 904 CA CYS A 206 -6.512 -7.175 17.101 1.00 0.00 C ATOM 905 C CYS A 206 -6.450 -5.636 17.015 1.00 0.00 C ATOM 906 O CYS A 206 -6.999 -5.046 16.075 1.00 0.00 O ATOM 907 CB CYS A 206 -5.682 -7.789 15.973 1.00 0.00 C ATOM 908 SG CYS A 206 -3.924 -7.413 16.170 1.00 0.00 S ATOM 0 H CYS A 206 -8.467 -7.030 16.361 1.00 0.00 H new ATOM 0 HA CYS A 206 -6.112 -7.497 18.063 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.826 -8.869 15.960 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -6.032 -7.409 15.013 1.00 0.00 H new ATOM 0 HG CYS A 206 -3.241 -8.519 16.173 1.00 0.00 H new ATOM 913 N PRO A 207 -5.802 -4.935 17.968 1.00 0.00 N ATOM 914 CA PRO A 207 -5.764 -3.476 17.976 1.00 0.00 C ATOM 915 C PRO A 207 -4.870 -2.962 16.831 1.00 0.00 C ATOM 916 O PRO A 207 -4.885 -1.763 16.531 1.00 0.00 O ATOM 917 CB PRO A 207 -5.203 -3.004 19.319 1.00 0.00 C ATOM 918 CG PRO A 207 -4.360 -4.218 19.730 1.00 0.00 C ATOM 919 CD PRO A 207 -5.101 -5.429 19.143 1.00 0.00 C ATOM 0 HA PRO A 207 -6.771 -3.085 17.835 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.602 -2.100 19.220 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.990 -2.786 20.041 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.346 -4.146 19.337 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.277 -4.293 20.814 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.403 -6.223 18.877 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.799 -5.848 19.867 1.00 0.00 H new ATOM 927 N TYR A 208 -4.109 -3.819 16.129 1.00 0.00 N ATOM 928 CA TYR A 208 -3.297 -3.378 14.982 1.00 0.00 C ATOM 929 C TYR A 208 -4.128 -3.490 13.680 1.00 0.00 C ATOM 930 O TYR A 208 -3.764 -2.893 12.666 1.00 0.00 O ATOM 931 CB TYR A 208 -2.041 -4.251 14.874 1.00 0.00 C ATOM 932 CG TYR A 208 -1.121 -4.110 16.076 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.312 -4.895 17.229 1.00 0.00 C ATOM 934 CD2 TYR A 208 -0.097 -3.148 16.053 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.491 -4.714 18.359 1.00 0.00 C ATOM 936 CE2 TYR A 208 0.713 -2.948 17.184 1.00 0.00 C ATOM 937 CZ TYR A 208 0.529 -3.737 18.338 1.00 0.00 C ATOM 938 OH TYR A 208 1.345 -3.560 19.412 1.00 0.00 O ATOM 0 H TYR A 208 -4.039 -4.816 16.334 1.00 0.00 H new ATOM 0 HA TYR A 208 -3.000 -2.339 15.128 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.337 -5.295 14.769 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.494 -3.983 13.970 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.093 -5.641 17.247 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.068 -2.560 15.162 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.641 -5.321 19.240 1.00 0.00 H new ATOM 0 HE2 TYR A 208 1.479 -2.187 17.169 1.00 0.00 H new ATOM 0 HH TYR A 208 1.988 -2.846 19.220 1.00 0.00 H new ATOM 948 N GLY A 209 -5.294 -4.160 13.686 1.00 0.00 N ATOM 949 CA GLY A 209 -6.209 -4.160 12.523 1.00 0.00 C ATOM 950 C GLY A 209 -5.471 -4.685 11.266 1.00 0.00 C ATOM 951 O GLY A 209 -4.634 -5.584 11.371 1.00 0.00 O ATOM 0 H GLY A 209 -5.627 -4.708 14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -7.077 -4.786 12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.580 -3.151 12.342 1.00 0.00 H new ATOM 955 N PRO A 210 -5.772 -4.176 10.050 1.00 0.00 N ATOM 956 CA PRO A 210 -5.159 -4.678 8.816 1.00 0.00 C ATOM 957 C PRO A 210 -3.661 -4.270 8.761 1.00 0.00 C ATOM 958 O PRO A 210 -2.911 -4.794 7.935 1.00 0.00 O ATOM 959 CB PRO A 210 -5.901 -4.080 7.619 1.00 0.00 C ATOM 960 CG PRO A 210 -6.534 -2.823 8.231 1.00 0.00 C ATOM 961 CD PRO A 210 -6.743 -3.145 9.718 1.00 0.00 C ATOM 0 HA PRO A 210 -5.226 -5.766 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -5.225 -3.838 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.652 -4.763 7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.884 -1.957 8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.480 -2.585 7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.594 -2.258 10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.759 -3.494 9.902 1.00 0.00 H new ATOM 969 N ARG A 211 -3.177 -3.373 9.642 1.00 0.00 N ATOM 970 CA ARG A 211 -1.740 -3.009 9.692 1.00 0.00 C ATOM 971 C ARG A 211 -0.957 -4.063 10.509 1.00 0.00 C ATOM 972 O ARG A 211 0.249 -3.906 10.718 1.00 0.00 O ATOM 973 CB ARG A 211 -1.581 -1.626 10.360 1.00 0.00 C ATOM 974 CG ARG A 211 -2.183 -0.435 9.585 1.00 0.00 C ATOM 975 CD ARG A 211 -3.688 -0.206 9.782 1.00 0.00 C ATOM 976 NE ARG A 211 -4.040 -0.077 11.205 1.00 0.00 N ATOM 977 CZ ARG A 211 -5.219 0.207 11.722 1.00 0.00 C ATOM 978 NH1 ARG A 211 -6.272 0.464 10.991 1.00 0.00 N ATOM 979 NH2 ARG A 211 -5.354 0.235 13.017 1.00 0.00 N ATOM 0 H ARG A 211 -3.754 -2.887 10.328 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.346 -2.975 8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -2.043 -1.664 11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.518 -1.437 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.654 0.471 9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -1.993 -0.583 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -3.991 0.695 9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -4.242 -1.036 9.344 1.00 0.00 H new ATOM 0 HE ARG A 211 -3.281 -0.225 11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -6.202 0.450 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -7.163 0.679 11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -4.553 0.039 13.618 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -6.260 0.453 13.431 1.00 0.00 H new ATOM 993 N CYS A 212 -1.592 -5.139 11.007 1.00 0.00 N ATOM 994 CA CYS A 212 -0.908 -6.121 11.852 1.00 0.00 C ATOM 995 C CYS A 212 0.116 -6.919 11.007 1.00 0.00 C ATOM 996 O CYS A 212 -0.171 -7.284 9.859 1.00 0.00 O ATOM 997 CB CYS A 212 -1.939 -7.080 12.458 1.00 0.00 C ATOM 998 SG CYS A 212 -1.161 -8.129 13.714 1.00 0.00 S ATOM 0 H CYS A 212 -2.576 -5.346 10.836 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.381 -5.603 12.653 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.756 -6.512 12.904 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.373 -7.701 11.674 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.778 -7.978 14.848 1.00 0.00 H new ATOM 1003 N HIS A 213 1.314 -7.206 11.526 1.00 0.00 N ATOM 1004 CA HIS A 213 2.360 -7.923 10.767 1.00 0.00 C ATOM 1005 C HIS A 213 2.160 -9.451 10.909 1.00 0.00 C ATOM 1006 O HIS A 213 3.050 -10.220 10.551 1.00 0.00 O ATOM 1007 CB HIS A 213 3.741 -7.532 11.321 1.00 0.00 C ATOM 1008 CG HIS A 213 4.077 -6.071 11.105 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.909 -5.571 10.099 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.609 -5.023 11.844 1.00 0.00 C ATOM 1011 CE1 HIS A 213 4.928 -4.236 10.263 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.155 -3.880 11.305 1.00 0.00 N ATOM 0 H HIS A 213 1.591 -6.953 12.475 1.00 0.00 H new ATOM 0 HA HIS A 213 2.294 -7.652 9.713 1.00 0.00 H new ATOM 0 HB2 HIS A 213 3.773 -7.752 12.388 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.504 -8.148 10.845 1.00 0.00 H new ATOM 0 HD2 HIS A 213 2.939 -5.080 12.689 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.485 -3.547 9.645 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.000 -2.928 11.638 1.00 0.00 H new ATOM 1020 N PHE A 214 1.019 -9.931 11.422 1.00 0.00 N ATOM 1021 CA PHE A 214 0.809 -11.377 11.674 1.00 0.00 C ATOM 1022 C PHE A 214 -0.498 -11.841 10.989 1.00 0.00 C ATOM 1023 O PHE A 214 -1.310 -11.007 10.576 1.00 0.00 O ATOM 1024 CB PHE A 214 0.720 -11.624 13.183 1.00 0.00 C ATOM 1025 CG PHE A 214 2.069 -11.443 13.868 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.500 -10.161 14.259 1.00 0.00 C ATOM 1027 CD2 PHE A 214 2.924 -12.547 14.054 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.777 -9.979 14.821 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.199 -12.368 14.625 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.627 -11.083 15.002 1.00 0.00 C ATOM 0 H PHE A 214 0.223 -9.345 11.673 1.00 0.00 H new ATOM 0 HA PHE A 214 1.646 -11.942 11.265 1.00 0.00 H new ATOM 0 HB2 PHE A 214 -0.005 -10.938 13.621 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.353 -12.634 13.365 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.846 -9.312 14.127 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.601 -13.534 13.758 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.103 -8.992 15.113 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.848 -13.218 14.773 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.609 -10.945 15.431 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.702 -13.149 10.761 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.826 -13.632 9.934 1.00 0.00 C ATOM 1042 C ILE A 215 -3.136 -13.548 10.735 1.00 0.00 C ATOM 1043 O ILE A 215 -3.313 -14.287 11.710 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.571 -15.104 9.509 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.276 -15.288 8.687 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.762 -15.612 8.667 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.142 -16.757 8.512 1.00 0.00 C ATOM 0 H ILE A 215 -0.108 -13.889 11.134 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.907 -13.008 9.044 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.460 -15.677 10.430 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.414 -14.839 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.534 -14.745 9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.583 -16.645 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.675 -15.559 9.259 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.870 -14.991 7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.059 -16.807 7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.313 -17.206 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.649 -17.301 7.996 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.099 -12.727 10.333 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.446 -12.757 10.921 1.00 0.00 C ATOM 1061 C HIS A 216 -6.272 -13.871 10.244 1.00 0.00 C ATOM 1062 O HIS A 216 -6.204 -15.029 10.666 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.132 -11.391 10.704 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.581 -10.297 11.589 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -6.057 -9.007 11.668 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.570 -10.418 12.505 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.350 -8.372 12.621 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.450 -9.200 13.169 1.00 0.00 N ATOM 0 H HIS A 216 -3.978 -12.028 9.600 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.377 -12.957 11.990 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -6.018 -11.097 9.661 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.201 -11.496 10.890 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.973 -11.300 12.681 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.489 -7.339 12.905 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.802 -8.980 13.926 1.00 0.00 H new