USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 349 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 197 CYS SG : rot 121:sc= 0.635 USER MOD Set 1.2: A 206 CYS SG : rot 128:sc= 0.561 USER MOD Set 1.3: A 212 CYS SG : rot 125:sc= 0.589 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.933 X(o=0.85,f=0.71) USER MOD Set 2.1: A 159 CYS SG : rot -158:sc= 0.134 USER MOD Set 2.2: A 168 CYS SG : rot 120:sc= 0.593 USER MOD Set 2.3: A 174 CYS SG : rot 127:sc= 0.411 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.341 K(o=0.8,f=0.13) 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=-0.0273) 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= 0.0216 USER MOD Single : A 201 HIS : no HD1:sc= 0.324 K(o=0.32,f=-1.2) USER MOD Single : A 202 THR OG1 : rot 84:sc= 0.942 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0043 X(o=-0.0043,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.885 8.791 3.611 1.00 0.00 N ATOM 74 CA LYS A 155 1.999 8.387 2.479 1.00 0.00 C ATOM 75 C LYS A 155 2.031 6.846 2.290 1.00 0.00 C ATOM 76 O LYS A 155 1.791 6.358 1.187 1.00 0.00 O ATOM 77 CB LYS A 155 2.464 9.090 1.179 1.00 0.00 C ATOM 78 CG LYS A 155 2.173 10.597 1.249 1.00 0.00 C ATOM 79 CD LYS A 155 2.730 11.345 0.033 1.00 0.00 C ATOM 80 CE LYS A 155 2.162 12.767 0.010 1.00 0.00 C ATOM 81 NZ LYS A 155 2.719 13.550 -1.111 1.00 0.00 N ATOM 0 HA LYS A 155 0.976 8.687 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.532 8.926 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.953 8.654 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.096 10.756 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.609 11.009 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.819 11.377 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.464 10.820 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 155 1.076 12.726 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.388 13.266 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 2.315 14.508 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 3.753 13.609 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 2.482 13.085 -2.011 1.00 0.00 H new ATOM 95 N THR A 156 2.217 6.051 3.345 1.00 0.00 N ATOM 96 CA THR A 156 2.065 4.572 3.254 1.00 0.00 C ATOM 97 C THR A 156 0.613 4.175 3.573 1.00 0.00 C ATOM 98 O THR A 156 0.231 3.022 3.367 1.00 0.00 O ATOM 99 CB THR A 156 3.010 3.892 4.257 1.00 0.00 C ATOM 100 OG1 THR A 156 2.742 4.262 5.595 1.00 0.00 O ATOM 101 CG2 THR A 156 4.474 4.179 3.941 1.00 0.00 C ATOM 0 H THR A 156 2.472 6.390 4.273 1.00 0.00 H new ATOM 0 HA THR A 156 2.314 4.251 2.243 1.00 0.00 H new ATOM 0 HB THR A 156 2.824 2.823 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.368 3.802 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.109 3.680 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.710 3.808 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.651 5.254 3.980 1.00 0.00 H new ATOM 109 N GLU A 157 -0.241 5.095 4.060 1.00 0.00 N ATOM 110 CA GLU A 157 -1.645 4.771 4.403 1.00 0.00 C ATOM 111 C GLU A 157 -2.593 5.769 3.709 1.00 0.00 C ATOM 112 O GLU A 157 -2.222 6.927 3.486 1.00 0.00 O ATOM 113 CB GLU A 157 -1.829 4.857 5.932 1.00 0.00 C ATOM 114 CG GLU A 157 -3.231 4.545 6.472 1.00 0.00 C ATOM 115 CD GLU A 157 -3.609 3.070 6.303 1.00 0.00 C ATOM 116 OE1 GLU A 157 -4.001 2.698 5.171 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.511 2.327 7.308 1.00 0.00 O ATOM 0 H GLU A 157 0.013 6.069 4.226 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.879 3.762 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.123 4.171 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.556 5.862 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.277 4.810 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.963 5.166 5.955 1.00 0.00 H new ATOM 124 N LEU A 158 -3.816 5.363 3.321 1.00 0.00 N ATOM 125 CA LEU A 158 -4.755 6.254 2.612 1.00 0.00 C ATOM 126 C LEU A 158 -5.198 7.400 3.541 1.00 0.00 C ATOM 127 O LEU A 158 -5.530 7.157 4.705 1.00 0.00 O ATOM 128 CB LEU A 158 -5.990 5.452 2.180 1.00 0.00 C ATOM 129 CG LEU A 158 -5.867 4.589 0.918 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.112 3.700 0.889 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.809 5.437 -0.356 1.00 0.00 C ATOM 0 H LEU A 158 -4.178 4.424 3.486 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.257 6.671 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.274 4.801 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.811 6.153 2.030 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.943 4.011 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.081 3.059 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.139 3.082 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.004 4.325 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.722 4.784 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.719 6.032 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.945 6.100 -0.313 1.00 0.00 H new ATOM 143 N CYS A 159 -5.357 8.629 3.038 1.00 0.00 N ATOM 144 CA CYS A 159 -5.977 9.711 3.803 1.00 0.00 C ATOM 145 C CYS A 159 -7.502 9.528 3.792 1.00 0.00 C ATOM 146 O CYS A 159 -8.154 9.818 2.780 1.00 0.00 O ATOM 147 CB CYS A 159 -5.612 11.055 3.168 1.00 0.00 C ATOM 148 SG CYS A 159 -6.190 12.476 4.140 1.00 0.00 S ATOM 0 H CYS A 159 -5.062 8.898 2.099 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.617 9.690 4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.530 11.115 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.041 11.107 2.167 1.00 0.00 H new ATOM 0 HG CYS A 159 -6.275 13.521 3.372 1.00 0.00 H new ATOM 153 N ARG A 160 -8.114 8.970 4.850 1.00 0.00 N ATOM 154 CA ARG A 160 -9.546 8.616 4.826 1.00 0.00 C ATOM 155 C ARG A 160 -10.413 9.904 4.813 1.00 0.00 C ATOM 156 O ARG A 160 -11.405 9.960 4.089 1.00 0.00 O ATOM 157 CB ARG A 160 -9.890 7.771 6.062 1.00 0.00 C ATOM 158 CG ARG A 160 -8.961 6.563 6.275 1.00 0.00 C ATOM 159 CD ARG A 160 -9.311 5.791 7.553 1.00 0.00 C ATOM 160 NE ARG A 160 -9.065 6.596 8.767 1.00 0.00 N ATOM 161 CZ ARG A 160 -8.168 6.381 9.717 1.00 0.00 C ATOM 162 NH1 ARG A 160 -7.387 5.333 9.743 1.00 0.00 N ATOM 163 NH2 ARG A 160 -8.032 7.241 10.690 1.00 0.00 N ATOM 0 H ARG A 160 -7.644 8.755 5.729 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.755 8.040 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.850 8.407 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.916 7.415 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.031 5.895 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.927 6.905 6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -10.359 5.492 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -8.720 4.876 7.598 1.00 0.00 H new ATOM 0 HE ARG A 160 -9.658 7.417 8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -7.452 4.630 9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -6.713 5.218 10.500 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -8.616 8.077 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -7.342 7.077 11.423 1.00 0.00 H new ATOM 177 N PRO A 161 -10.066 10.978 5.577 1.00 0.00 N ATOM 178 CA PRO A 161 -10.847 12.228 5.570 1.00 0.00 C ATOM 179 C PRO A 161 -10.973 12.761 4.126 1.00 0.00 C ATOM 180 O PRO A 161 -12.049 13.220 3.729 1.00 0.00 O ATOM 181 CB PRO A 161 -10.138 13.267 6.441 1.00 0.00 C ATOM 182 CG PRO A 161 -9.338 12.375 7.387 1.00 0.00 C ATOM 183 CD PRO A 161 -8.971 11.162 6.528 1.00 0.00 C ATOM 0 HA PRO A 161 -11.844 12.035 5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.495 13.924 5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.843 13.904 6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.449 12.884 7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.928 12.085 8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -8.028 11.327 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.841 10.274 7.147 1.00 0.00 H new ATOM 191 N PHE A 162 -9.916 12.699 3.295 1.00 0.00 N ATOM 192 CA PHE A 162 -9.984 13.183 1.909 1.00 0.00 C ATOM 193 C PHE A 162 -10.903 12.262 1.078 1.00 0.00 C ATOM 194 O PHE A 162 -11.703 12.750 0.285 1.00 0.00 O ATOM 195 CB PHE A 162 -8.574 13.188 1.301 1.00 0.00 C ATOM 196 CG PHE A 162 -8.518 13.803 -0.082 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.441 15.202 -0.226 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.570 12.985 -1.228 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.418 15.780 -1.507 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.548 13.564 -2.509 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.472 14.961 -2.650 1.00 0.00 C ATOM 0 H PHE A 162 -9.008 12.319 3.561 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.389 14.195 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.903 13.737 1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.204 12.164 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.400 15.832 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.627 11.912 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.359 16.853 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.590 12.935 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.455 15.405 -3.634 1.00 0.00 H new ATOM 211 N GLU A 163 -10.840 10.939 1.237 1.00 0.00 N ATOM 212 CA GLU A 163 -11.731 10.017 0.497 1.00 0.00 C ATOM 213 C GLU A 163 -13.200 10.227 0.950 1.00 0.00 C ATOM 214 O GLU A 163 -14.124 10.009 0.163 1.00 0.00 O ATOM 215 CB GLU A 163 -11.314 8.568 0.779 1.00 0.00 C ATOM 216 CG GLU A 163 -9.971 8.193 0.148 1.00 0.00 C ATOM 217 CD GLU A 163 -9.634 6.734 0.468 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.413 6.431 1.664 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.619 5.914 -0.482 1.00 0.00 O ATOM 0 H GLU A 163 -10.187 10.474 1.867 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.651 10.221 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.256 8.417 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.085 7.895 0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.014 8.337 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.186 8.848 0.526 1.00 0.00 H new ATOM 226 N GLU A 164 -13.462 10.605 2.208 1.00 0.00 N ATOM 227 CA GLU A 164 -14.844 10.700 2.722 1.00 0.00 C ATOM 228 C GLU A 164 -15.464 12.060 2.329 1.00 0.00 C ATOM 229 O GLU A 164 -16.637 12.112 1.945 1.00 0.00 O ATOM 230 CB GLU A 164 -14.827 10.571 4.253 1.00 0.00 C ATOM 231 CG GLU A 164 -14.579 9.124 4.702 1.00 0.00 C ATOM 232 CD GLU A 164 -14.387 9.048 6.221 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.407 8.880 6.934 1.00 0.00 O ATOM 234 OE2 GLU A 164 -13.224 9.160 6.679 1.00 0.00 O ATOM 0 H GLU A 164 -12.743 10.850 2.889 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.442 9.898 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -14.051 11.217 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.778 10.919 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.421 8.498 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.696 8.729 4.200 1.00 0.00 H new ATOM 241 N SER A 165 -14.749 13.189 2.472 1.00 0.00 N ATOM 242 CA SER A 165 -15.368 14.538 2.312 1.00 0.00 C ATOM 243 C SER A 165 -14.700 15.299 1.147 1.00 0.00 C ATOM 244 O SER A 165 -15.158 16.385 0.782 1.00 0.00 O ATOM 245 CB SER A 165 -15.194 15.338 3.610 1.00 0.00 C ATOM 246 OG SER A 165 -15.895 14.728 4.684 1.00 0.00 O ATOM 0 H SER A 165 -13.754 13.207 2.695 1.00 0.00 H new ATOM 0 HA SER A 165 -16.429 14.416 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.135 15.410 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.558 16.355 3.465 1.00 0.00 H new ATOM 0 HG SER A 165 -15.767 15.256 5.500 1.00 0.00 H new ATOM 252 N GLY A 166 -13.643 14.769 0.514 1.00 0.00 N ATOM 253 CA GLY A 166 -13.020 15.424 -0.657 1.00 0.00 C ATOM 254 C GLY A 166 -12.164 16.624 -0.201 1.00 0.00 C ATOM 255 O GLY A 166 -11.713 17.410 -1.038 1.00 0.00 O ATOM 0 H GLY A 166 -13.200 13.892 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.399 14.708 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.792 15.760 -1.349 1.00 0.00 H new ATOM 259 N THR A 167 -11.926 16.821 1.108 1.00 0.00 N ATOM 260 CA THR A 167 -11.135 17.970 1.602 1.00 0.00 C ATOM 261 C THR A 167 -10.169 17.500 2.691 1.00 0.00 C ATOM 262 O THR A 167 -10.453 16.516 3.385 1.00 0.00 O ATOM 263 CB THR A 167 -12.086 19.038 2.181 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.350 20.198 2.507 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.873 18.620 3.429 1.00 0.00 C ATOM 0 H THR A 167 -12.268 16.203 1.844 1.00 0.00 H new ATOM 0 HA THR A 167 -10.566 18.399 0.777 1.00 0.00 H new ATOM 0 HB THR A 167 -12.821 19.207 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.955 20.877 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.509 19.445 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.492 17.754 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.178 18.364 4.229 1.00 0.00 H new ATOM 273 N CYS A 168 -9.026 18.168 2.902 1.00 0.00 N ATOM 274 CA CYS A 168 -8.093 17.798 3.968 1.00 0.00 C ATOM 275 C CYS A 168 -7.457 19.069 4.559 1.00 0.00 C ATOM 276 O CYS A 168 -6.867 19.869 3.821 1.00 0.00 O ATOM 277 CB CYS A 168 -6.998 16.894 3.394 1.00 0.00 C ATOM 278 SG CYS A 168 -6.044 16.221 4.779 1.00 0.00 S ATOM 0 H CYS A 168 -8.728 18.969 2.345 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.629 17.265 4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.438 16.088 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.350 17.459 2.724 1.00 0.00 H new ATOM 0 HG CYS A 168 -6.115 14.923 4.765 1.00 0.00 H new ATOM 283 N LYS A 169 -7.558 19.313 5.874 1.00 0.00 N ATOM 284 CA LYS A 169 -7.027 20.551 6.493 1.00 0.00 C ATOM 285 C LYS A 169 -5.495 20.552 6.434 1.00 0.00 C ATOM 286 O LYS A 169 -4.878 21.614 6.526 1.00 0.00 O ATOM 287 CB LYS A 169 -7.481 20.623 7.964 1.00 0.00 C ATOM 288 CG LYS A 169 -9.006 20.590 8.177 1.00 0.00 C ATOM 289 CD LYS A 169 -9.366 20.383 9.659 1.00 0.00 C ATOM 290 CE LYS A 169 -9.032 18.977 10.192 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.885 17.937 9.576 1.00 0.00 N ATOM 0 H LYS A 169 -8.001 18.674 6.534 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.407 21.414 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -7.035 19.790 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.087 21.538 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.444 21.523 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.440 19.787 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.836 21.123 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.432 20.568 9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.984 18.752 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -9.161 18.959 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.701 17.021 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.886 18.191 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.669 17.867 8.561 1.00 0.00 H new ATOM 305 N TYR A 170 -4.834 19.405 6.278 1.00 0.00 N ATOM 306 CA TYR A 170 -3.367 19.351 6.230 1.00 0.00 C ATOM 307 C TYR A 170 -2.877 19.714 4.805 1.00 0.00 C ATOM 308 O TYR A 170 -1.733 20.147 4.638 1.00 0.00 O ATOM 309 CB TYR A 170 -2.901 17.937 6.598 1.00 0.00 C ATOM 310 CG TYR A 170 -3.324 17.600 8.021 1.00 0.00 C ATOM 311 CD1 TYR A 170 -4.609 17.083 8.283 1.00 0.00 C ATOM 312 CD2 TYR A 170 -2.495 17.968 9.095 1.00 0.00 C ATOM 313 CE1 TYR A 170 -5.083 16.987 9.606 1.00 0.00 C ATOM 314 CE2 TYR A 170 -2.982 17.922 10.415 1.00 0.00 C ATOM 315 CZ TYR A 170 -4.275 17.423 10.677 1.00 0.00 C ATOM 316 OH TYR A 170 -4.750 17.366 11.951 1.00 0.00 O ATOM 0 H TYR A 170 -5.289 18.497 6.182 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.951 20.066 6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.326 17.213 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.817 17.868 6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -5.234 16.758 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.481 18.287 8.907 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -6.064 16.580 9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -2.364 18.270 11.229 1.00 0.00 H new ATOM 0 HH TYR A 170 -4.069 17.703 12.570 1.00 0.00 H new ATOM 326 N GLY A 171 -3.738 19.660 3.771 1.00 0.00 N ATOM 327 CA GLY A 171 -3.401 20.196 2.436 1.00 0.00 C ATOM 328 C GLY A 171 -2.186 19.453 1.858 1.00 0.00 C ATOM 329 O GLY A 171 -2.074 18.235 2.009 1.00 0.00 O ATOM 0 H GLY A 171 -4.671 19.252 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.255 20.089 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.184 21.262 2.508 1.00 0.00 H new ATOM 333 N GLU A 172 -1.274 20.132 1.147 1.00 0.00 N ATOM 334 CA GLU A 172 -0.120 19.466 0.498 1.00 0.00 C ATOM 335 C GLU A 172 0.863 18.950 1.567 1.00 0.00 C ATOM 336 O GLU A 172 1.797 18.212 1.239 1.00 0.00 O ATOM 337 CB GLU A 172 0.603 20.473 -0.417 1.00 0.00 C ATOM 338 CG GLU A 172 -0.254 21.029 -1.565 1.00 0.00 C ATOM 339 CD GLU A 172 -0.705 19.930 -2.538 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.091 19.581 -3.442 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.845 19.432 -2.376 1.00 0.00 O ATOM 0 H GLU A 172 -1.307 21.141 1.003 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.480 18.623 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 172 0.957 21.306 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.484 19.991 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -1.131 21.529 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.316 21.782 -2.109 1.00 0.00 H new ATOM 348 N LYS A 173 0.686 19.282 2.858 1.00 0.00 N ATOM 349 CA LYS A 173 1.578 18.791 3.923 1.00 0.00 C ATOM 350 C LYS A 173 0.953 17.557 4.598 1.00 0.00 C ATOM 351 O LYS A 173 1.515 17.034 5.563 1.00 0.00 O ATOM 352 CB LYS A 173 1.791 19.900 4.972 1.00 0.00 C ATOM 353 CG LYS A 173 2.434 21.191 4.432 1.00 0.00 C ATOM 354 CD LYS A 173 1.410 22.241 3.975 1.00 0.00 C ATOM 355 CE LYS A 173 2.114 23.574 3.704 1.00 0.00 C ATOM 356 NZ LYS A 173 1.150 24.608 3.277 1.00 0.00 N ATOM 0 H LYS A 173 -0.065 19.887 3.189 1.00 0.00 H new ATOM 0 HA LYS A 173 2.538 18.515 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.827 20.150 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.418 19.507 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.066 21.625 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 173 3.084 20.941 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 173 0.903 21.898 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 173 0.645 22.373 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 173 2.632 23.905 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 173 2.872 23.438 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 1.654 25.500 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 0.674 24.300 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 0.442 24.752 4.025 1.00 0.00 H new ATOM 370 N CYS A 174 -0.198 17.041 4.124 1.00 0.00 N ATOM 371 CA CYS A 174 -0.813 15.855 4.714 1.00 0.00 C ATOM 372 C CYS A 174 0.131 14.654 4.556 1.00 0.00 C ATOM 373 O CYS A 174 0.624 14.391 3.451 1.00 0.00 O ATOM 374 CB CYS A 174 -2.142 15.563 4.011 1.00 0.00 C ATOM 375 SG CYS A 174 -2.966 14.187 4.855 1.00 0.00 S ATOM 0 H CYS A 174 -0.713 17.432 3.335 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.997 16.031 5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.778 16.448 4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.967 15.313 2.965 1.00 0.00 H new ATOM 0 HG CYS A 174 -4.177 14.537 5.175 1.00 0.00 H new ATOM 380 N GLN A 175 0.458 13.931 5.627 1.00 0.00 N ATOM 381 CA GLN A 175 1.418 12.835 5.565 1.00 0.00 C ATOM 382 C GLN A 175 0.718 11.545 5.075 1.00 0.00 C ATOM 383 O GLN A 175 1.310 10.472 5.132 1.00 0.00 O ATOM 384 CB GLN A 175 2.014 12.599 6.963 1.00 0.00 C ATOM 385 CG GLN A 175 3.040 13.674 7.349 1.00 0.00 C ATOM 386 CD GLN A 175 3.997 13.157 8.423 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.043 12.587 8.137 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.691 13.330 9.689 1.00 0.00 N ATOM 0 H GLN A 175 0.066 14.089 6.555 1.00 0.00 H new ATOM 0 HA GLN A 175 2.214 13.094 4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.211 12.585 7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.490 11.619 6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.606 13.975 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.523 14.561 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 175 2.824 13.803 9.944 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.321 12.992 10.417 1.00 0.00 H new ATOM 397 N PHE A 176 -0.534 11.600 4.591 1.00 0.00 N ATOM 398 CA PHE A 176 -1.257 10.388 4.143 1.00 0.00 C ATOM 399 C PHE A 176 -1.637 10.526 2.650 1.00 0.00 C ATOM 400 O PHE A 176 -1.504 11.610 2.074 1.00 0.00 O ATOM 401 CB PHE A 176 -2.528 10.209 4.990 1.00 0.00 C ATOM 402 CG PHE A 176 -2.247 9.861 6.446 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.865 10.859 7.365 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.337 8.527 6.882 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.574 10.527 8.702 1.00 0.00 C ATOM 406 CE2 PHE A 176 -2.040 8.190 8.216 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.670 9.192 9.128 1.00 0.00 C ATOM 0 H PHE A 176 -1.068 12.464 4.498 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.614 9.517 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -3.113 11.128 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.141 9.423 4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.795 11.887 7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.636 7.755 6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.278 11.297 9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.097 7.161 8.538 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.459 8.936 10.156 1.00 0.00 H new ATOM 417 N ALA A 177 -2.015 9.444 1.961 1.00 0.00 N ATOM 418 CA ALA A 177 -2.185 9.462 0.499 1.00 0.00 C ATOM 419 C ALA A 177 -3.565 10.060 0.133 1.00 0.00 C ATOM 420 O ALA A 177 -4.596 9.455 0.432 1.00 0.00 O ATOM 421 CB ALA A 177 -2.092 8.028 -0.037 1.00 0.00 C ATOM 0 H ALA A 177 -2.210 8.540 2.392 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.402 10.076 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.217 8.035 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.117 7.609 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.875 7.419 0.415 1.00 0.00 H new ATOM 427 N HIS A 178 -3.633 11.182 -0.600 1.00 0.00 N ATOM 428 CA HIS A 178 -4.916 11.684 -1.141 1.00 0.00 C ATOM 429 C HIS A 178 -5.283 10.897 -2.423 1.00 0.00 C ATOM 430 O HIS A 178 -6.466 10.756 -2.741 1.00 0.00 O ATOM 431 CB HIS A 178 -4.781 13.185 -1.475 1.00 0.00 C ATOM 432 CG HIS A 178 -4.647 14.090 -0.267 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.320 15.430 -0.280 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.872 13.745 1.037 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.346 15.871 0.994 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.679 14.875 1.827 1.00 0.00 N ATOM 0 H HIS A 178 -2.824 11.758 -0.833 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.701 11.547 -0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.910 13.324 -2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.653 13.496 -2.051 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.151 12.764 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.129 16.884 1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.773 14.934 2.841 1.00 0.00 H new ATOM 444 N GLY A 179 -4.317 10.319 -3.150 1.00 0.00 N ATOM 445 CA GLY A 179 -4.612 9.431 -4.289 1.00 0.00 C ATOM 446 C GLY A 179 -3.662 8.228 -4.263 1.00 0.00 C ATOM 447 O GLY A 179 -2.618 8.280 -3.611 1.00 0.00 O ATOM 0 H GLY A 179 -3.321 10.449 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.647 9.091 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.500 9.976 -5.226 1.00 0.00 H new ATOM 724 N GLU A 195 3.179 -16.221 10.498 1.00 0.00 N ATOM 725 CA GLU A 195 2.708 -16.899 11.733 1.00 0.00 C ATOM 726 C GLU A 195 1.323 -16.349 12.135 1.00 0.00 C ATOM 727 O GLU A 195 1.018 -15.185 11.867 1.00 0.00 O ATOM 728 CB GLU A 195 3.711 -16.645 12.871 1.00 0.00 C ATOM 729 CG GLU A 195 4.975 -17.504 12.722 1.00 0.00 C ATOM 730 CD GLU A 195 5.955 -17.262 13.878 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.625 -17.661 15.022 1.00 0.00 O ATOM 732 OE2 GLU A 195 7.041 -16.689 13.624 1.00 0.00 O ATOM 0 HA GLU A 195 2.629 -17.970 11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.988 -15.591 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.236 -16.860 13.828 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.699 -18.558 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.463 -17.275 11.775 1.00 0.00 H new ATOM 739 N LEU A 196 0.451 -17.146 12.778 1.00 0.00 N ATOM 740 CA LEU A 196 -0.899 -16.686 13.167 1.00 0.00 C ATOM 741 C LEU A 196 -0.791 -15.569 14.218 1.00 0.00 C ATOM 742 O LEU A 196 -0.035 -15.702 15.189 1.00 0.00 O ATOM 743 CB LEU A 196 -1.693 -17.869 13.757 1.00 0.00 C ATOM 744 CG LEU A 196 -1.899 -19.072 12.815 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.754 -20.127 13.518 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.587 -18.691 11.502 1.00 0.00 C ATOM 0 H LEU A 196 0.654 -18.111 13.040 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.413 -16.300 12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.179 -18.217 14.653 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.671 -17.505 14.071 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.908 -19.456 12.574 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.901 -20.978 12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.250 -20.458 14.426 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.722 -19.698 13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.704 -19.579 10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.568 -18.266 11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.980 -17.956 10.973 1.00 0.00 H new ATOM 758 N CYS A 197 -1.547 -14.475 14.098 1.00 0.00 N ATOM 759 CA CYS A 197 -1.535 -13.405 15.095 1.00 0.00 C ATOM 760 C CYS A 197 -2.205 -13.893 16.390 1.00 0.00 C ATOM 761 O CYS A 197 -3.398 -14.220 16.390 1.00 0.00 O ATOM 762 CB CYS A 197 -2.288 -12.189 14.548 1.00 0.00 C ATOM 763 SG CYS A 197 -2.273 -10.791 15.704 1.00 0.00 S ATOM 0 H CYS A 197 -2.178 -14.308 13.315 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.504 -13.124 15.312 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.839 -11.881 13.604 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.319 -12.469 14.334 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.720 -9.762 15.133 1.00 0.00 H new ATOM 768 N ARG A 198 -1.485 -13.960 17.512 1.00 0.00 N ATOM 769 CA ARG A 198 -2.056 -14.427 18.799 1.00 0.00 C ATOM 770 C ARG A 198 -3.279 -13.587 19.161 1.00 0.00 C ATOM 771 O ARG A 198 -4.332 -14.141 19.457 1.00 0.00 O ATOM 772 CB ARG A 198 -0.997 -14.294 19.910 1.00 0.00 C ATOM 773 CG ARG A 198 0.217 -15.220 19.733 1.00 0.00 C ATOM 774 CD ARG A 198 1.329 -14.935 20.754 1.00 0.00 C ATOM 775 NE ARG A 198 1.815 -13.543 20.677 1.00 0.00 N ATOM 776 CZ ARG A 198 2.824 -13.009 21.346 1.00 0.00 C ATOM 777 NH1 ARG A 198 3.603 -13.705 22.131 1.00 0.00 N ATOM 778 NH2 ARG A 198 3.071 -11.733 21.235 1.00 0.00 N ATOM 0 H ARG A 198 -0.501 -13.698 17.566 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.354 -15.471 18.700 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.651 -13.261 19.945 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.465 -14.506 20.871 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -0.104 -16.257 19.831 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.615 -15.103 18.725 1.00 0.00 H new ATOM 0 HD2 ARG A 198 0.956 -15.133 21.759 1.00 0.00 H new ATOM 0 HD3 ARG A 198 2.161 -15.618 20.583 1.00 0.00 H new ATOM 0 HE ARG A 198 1.318 -12.924 20.037 1.00 0.00 H new ATOM 0 HH11 ARG A 198 3.446 -14.706 22.249 1.00 0.00 H new ATOM 0 HH12 ARG A 198 4.369 -13.247 22.626 1.00 0.00 H new ATOM 0 HH21 ARG A 198 2.487 -11.151 20.634 1.00 0.00 H new ATOM 0 HH22 ARG A 198 3.848 -11.317 21.749 1.00 0.00 H new ATOM 792 N THR A 199 -3.191 -12.253 19.190 1.00 0.00 N ATOM 793 CA THR A 199 -4.321 -11.400 19.620 1.00 0.00 C ATOM 794 C THR A 199 -5.546 -11.656 18.724 1.00 0.00 C ATOM 795 O THR A 199 -6.642 -11.875 19.240 1.00 0.00 O ATOM 796 CB THR A 199 -3.913 -9.916 19.525 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.580 -9.745 19.976 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.774 -9.038 20.430 1.00 0.00 C ATOM 0 H THR A 199 -2.354 -11.735 18.923 1.00 0.00 H new ATOM 0 HA THR A 199 -4.577 -11.642 20.651 1.00 0.00 H new ATOM 0 HB THR A 199 -4.033 -9.629 18.480 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.331 -8.799 19.910 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.458 -7.999 20.337 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.820 -9.127 20.135 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.660 -9.360 21.465 1.00 0.00 H new ATOM 806 N PHE A 200 -5.418 -11.684 17.391 1.00 0.00 N ATOM 807 CA PHE A 200 -6.582 -11.887 16.503 1.00 0.00 C ATOM 808 C PHE A 200 -7.137 -13.321 16.680 1.00 0.00 C ATOM 809 O PHE A 200 -8.352 -13.505 16.728 1.00 0.00 O ATOM 810 CB PHE A 200 -6.159 -11.673 15.044 1.00 0.00 C ATOM 811 CG PHE A 200 -7.314 -11.653 14.065 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.994 -10.447 13.812 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.716 -12.836 13.414 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.079 -10.425 12.917 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.801 -12.812 12.519 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.482 -11.608 12.271 1.00 0.00 C ATOM 0 H PHE A 200 -4.530 -11.570 16.902 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.360 -11.170 16.764 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.616 -10.731 14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.467 -12.464 14.757 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.683 -9.538 14.305 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.191 -13.761 13.602 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.603 -9.500 12.726 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.111 -13.719 12.022 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.315 -11.591 11.584 1.00 0.00 H new ATOM 826 N HIS A 201 -6.302 -14.349 16.812 1.00 0.00 N ATOM 827 CA HIS A 201 -6.789 -15.742 16.978 1.00 0.00 C ATOM 828 C HIS A 201 -7.186 -16.000 18.467 1.00 0.00 C ATOM 829 O HIS A 201 -7.703 -17.075 18.785 1.00 0.00 O ATOM 830 CB HIS A 201 -5.682 -16.724 16.558 1.00 0.00 C ATOM 831 CG HIS A 201 -5.593 -16.826 15.049 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.111 -17.877 14.286 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.149 -15.851 14.200 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.966 -17.512 13.000 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.392 -16.300 12.921 1.00 0.00 N ATOM 0 H HIS A 201 -5.286 -14.258 16.809 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.667 -15.891 16.349 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.725 -16.393 16.961 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.883 -17.708 16.982 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.696 -14.911 14.478 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.268 -18.108 12.152 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.173 -15.798 12.060 1.00 0.00 H new ATOM 843 N THR A 202 -7.033 -15.029 19.385 1.00 0.00 N ATOM 844 CA THR A 202 -7.473 -15.200 20.802 1.00 0.00 C ATOM 845 C THR A 202 -8.655 -14.260 21.098 1.00 0.00 C ATOM 846 O THR A 202 -9.752 -14.733 21.400 1.00 0.00 O ATOM 847 CB THR A 202 -6.305 -14.878 21.754 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.228 -15.754 21.510 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.679 -15.056 23.228 1.00 0.00 C ATOM 0 H THR A 202 -6.613 -14.121 19.184 1.00 0.00 H new ATOM 0 HA THR A 202 -7.787 -16.232 20.955 1.00 0.00 H new ATOM 0 HB THR A 202 -6.043 -13.837 21.565 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.689 -15.411 20.767 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.819 -14.816 23.853 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.506 -14.390 23.477 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.979 -16.089 23.405 1.00 0.00 H new ATOM 857 N ILE A 203 -8.490 -12.932 21.040 1.00 0.00 N ATOM 858 CA ILE A 203 -9.586 -11.989 21.362 1.00 0.00 C ATOM 859 C ILE A 203 -10.564 -11.904 20.167 1.00 0.00 C ATOM 860 O ILE A 203 -11.660 -11.356 20.305 1.00 0.00 O ATOM 861 CB ILE A 203 -8.995 -10.575 21.655 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.660 -10.629 22.442 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.025 -9.760 22.466 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.144 -9.295 23.000 1.00 0.00 C ATOM 0 H ILE A 203 -7.614 -12.481 20.775 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.120 -12.345 22.243 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.785 -10.105 20.694 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.781 -11.324 23.273 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.894 -11.045 21.788 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.621 -8.770 22.676 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.946 -9.662 21.891 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.236 -10.272 23.405 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.206 -9.461 23.529 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.979 -8.597 22.179 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.880 -8.879 23.688 1.00 0.00 H new ATOM 876 N GLY A 204 -10.204 -12.398 18.971 1.00 0.00 N ATOM 877 CA GLY A 204 -11.033 -12.210 17.766 1.00 0.00 C ATOM 878 C GLY A 204 -10.735 -10.832 17.145 1.00 0.00 C ATOM 879 O GLY A 204 -11.367 -10.451 16.156 1.00 0.00 O ATOM 0 H GLY A 204 -9.348 -12.929 18.811 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.826 -12.999 17.043 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.090 -12.283 18.024 1.00 0.00 H new ATOM 883 N PHE A 205 -9.797 -10.042 17.695 1.00 0.00 N ATOM 884 CA PHE A 205 -9.496 -8.699 17.181 1.00 0.00 C ATOM 885 C PHE A 205 -7.998 -8.393 17.384 1.00 0.00 C ATOM 886 O PHE A 205 -7.332 -9.075 18.165 1.00 0.00 O ATOM 887 CB PHE A 205 -10.342 -7.663 17.940 1.00 0.00 C ATOM 888 CG PHE A 205 -10.123 -6.221 17.512 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.482 -5.808 16.213 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.509 -5.307 18.390 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.225 -4.489 15.797 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.253 -3.989 17.972 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.611 -3.580 16.676 1.00 0.00 C ATOM 0 H PHE A 205 -9.233 -10.314 18.500 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.732 -8.653 16.118 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.396 -7.910 17.809 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.125 -7.748 19.005 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.955 -6.505 15.537 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.234 -5.619 19.387 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.500 -4.174 14.801 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.781 -3.291 18.647 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.414 -2.568 16.355 1.00 0.00 H new ATOM 903 N CYS A 206 -7.438 -7.349 16.754 1.00 0.00 N ATOM 904 CA CYS A 206 -6.036 -6.970 16.966 1.00 0.00 C ATOM 905 C CYS A 206 -5.896 -5.435 16.871 1.00 0.00 C ATOM 906 O CYS A 206 -6.411 -4.825 15.923 1.00 0.00 O ATOM 907 CB CYS A 206 -5.165 -7.635 15.900 1.00 0.00 C ATOM 908 SG CYS A 206 -3.412 -7.217 16.106 1.00 0.00 S ATOM 0 H CYS A 206 -7.937 -6.753 16.093 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.714 -7.299 17.954 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.289 -8.717 15.952 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.499 -7.323 14.911 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.705 -8.308 16.123 1.00 0.00 H new ATOM 913 N PRO A 207 -5.222 -4.758 17.827 1.00 0.00 N ATOM 914 CA PRO A 207 -5.148 -3.298 17.846 1.00 0.00 C ATOM 915 C PRO A 207 -4.256 -2.797 16.692 1.00 0.00 C ATOM 916 O PRO A 207 -4.257 -1.599 16.390 1.00 0.00 O ATOM 917 CB PRO A 207 -4.555 -2.852 19.184 1.00 0.00 C ATOM 918 CG PRO A 207 -3.778 -4.102 19.613 1.00 0.00 C ATOM 919 CD PRO A 207 -4.564 -5.279 19.016 1.00 0.00 C ATOM 0 HA PRO A 207 -6.147 -2.881 17.722 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.905 -1.984 19.074 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.327 -2.583 19.905 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.755 -4.079 19.238 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.718 -4.177 20.699 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.899 -6.105 18.764 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.293 -5.663 19.729 1.00 0.00 H new ATOM 927 N TYR A 208 -3.497 -3.666 16.000 1.00 0.00 N ATOM 928 CA TYR A 208 -2.668 -3.239 14.858 1.00 0.00 C ATOM 929 C TYR A 208 -3.506 -3.289 13.560 1.00 0.00 C ATOM 930 O TYR A 208 -3.149 -2.645 12.571 1.00 0.00 O ATOM 931 CB TYR A 208 -1.451 -4.171 14.727 1.00 0.00 C ATOM 932 CG TYR A 208 -0.423 -4.053 15.843 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.673 -4.607 17.115 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.799 -3.396 15.604 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.266 -4.463 18.155 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.742 -3.251 16.639 1.00 0.00 C ATOM 937 CZ TYR A 208 1.478 -3.777 17.920 1.00 0.00 C ATOM 938 OH TYR A 208 2.398 -3.630 18.912 1.00 0.00 O ATOM 0 H TYR A 208 -3.440 -4.663 16.210 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.323 -2.218 15.023 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.805 -5.201 14.688 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -0.958 -3.967 13.777 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.592 -5.146 17.293 1.00 0.00 H new ATOM 0 HD2 TYR A 208 1.014 -3.001 14.622 1.00 0.00 H new ATOM 0 HE1 TYR A 208 0.059 -4.877 19.131 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.672 -2.735 16.451 1.00 0.00 H new ATOM 0 HH TYR A 208 3.171 -3.133 18.571 1.00 0.00 H new ATOM 948 N GLY A 209 -4.660 -3.975 13.538 1.00 0.00 N ATOM 949 CA GLY A 209 -5.562 -3.958 12.371 1.00 0.00 C ATOM 950 C GLY A 209 -4.811 -4.459 11.117 1.00 0.00 C ATOM 951 O GLY A 209 -4.027 -5.408 11.205 1.00 0.00 O ATOM 0 H GLY A 209 -4.992 -4.548 14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.430 -4.589 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.934 -2.947 12.203 1.00 0.00 H new ATOM 955 N PRO A 210 -5.031 -3.870 9.923 1.00 0.00 N ATOM 956 CA PRO A 210 -4.403 -4.345 8.690 1.00 0.00 C ATOM 957 C PRO A 210 -2.887 -4.037 8.714 1.00 0.00 C ATOM 958 O PRO A 210 -2.138 -4.570 7.889 1.00 0.00 O ATOM 959 CB PRO A 210 -5.053 -3.637 7.500 1.00 0.00 C ATOM 960 CG PRO A 210 -5.569 -2.352 8.160 1.00 0.00 C ATOM 961 CD PRO A 210 -5.913 -2.757 9.601 1.00 0.00 C ATOM 0 HA PRO A 210 -4.540 -5.423 8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.338 -3.431 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.859 -4.226 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -4.813 -1.567 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.445 -1.965 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.759 -1.925 10.288 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -6.959 -3.051 9.685 1.00 0.00 H new ATOM 969 N ARG A 211 -2.382 -3.202 9.645 1.00 0.00 N ATOM 970 CA ARG A 211 -0.937 -2.893 9.722 1.00 0.00 C ATOM 971 C ARG A 211 -0.207 -3.995 10.524 1.00 0.00 C ATOM 972 O ARG A 211 1.011 -3.922 10.701 1.00 0.00 O ATOM 973 CB ARG A 211 -0.736 -1.531 10.419 1.00 0.00 C ATOM 974 CG ARG A 211 -1.521 -0.369 9.784 1.00 0.00 C ATOM 975 CD ARG A 211 -1.154 0.954 10.468 1.00 0.00 C ATOM 976 NE ARG A 211 -2.019 2.062 10.023 1.00 0.00 N ATOM 977 CZ ARG A 211 -2.223 3.202 10.661 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.621 3.501 11.783 1.00 0.00 N ATOM 979 NH2 ARG A 211 -3.057 4.078 10.176 1.00 0.00 N ATOM 0 H ARG A 211 -2.949 -2.731 10.351 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.526 -2.850 8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.031 -1.624 11.464 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.326 -1.285 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.299 -0.310 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.592 -0.550 9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -1.238 0.839 11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -0.113 1.197 10.253 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.508 1.937 9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -0.963 2.842 12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.809 4.393 12.241 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.551 3.884 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -3.215 4.958 10.667 1.00 0.00 H new ATOM 993 N CYS A 212 -0.907 -5.027 11.037 1.00 0.00 N ATOM 994 CA CYS A 212 -0.268 -6.091 11.818 1.00 0.00 C ATOM 995 C CYS A 212 0.660 -6.921 10.907 1.00 0.00 C ATOM 996 O CYS A 212 0.335 -7.151 9.736 1.00 0.00 O ATOM 997 CB CYS A 212 -1.347 -7.000 12.416 1.00 0.00 C ATOM 998 SG CYS A 212 -0.625 -8.066 13.694 1.00 0.00 S ATOM 0 H CYS A 212 -1.914 -5.141 10.921 1.00 0.00 H new ATOM 0 HA CYS A 212 0.321 -5.647 12.620 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.146 -6.395 12.845 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.795 -7.611 11.632 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.279 -7.914 14.807 1.00 0.00 H new ATOM 1003 N HIS A 213 1.804 -7.405 11.394 1.00 0.00 N ATOM 1004 CA HIS A 213 2.735 -8.191 10.572 1.00 0.00 C ATOM 1005 C HIS A 213 2.397 -9.690 10.678 1.00 0.00 C ATOM 1006 O HIS A 213 3.114 -10.518 10.113 1.00 0.00 O ATOM 1007 CB HIS A 213 4.175 -7.957 11.063 1.00 0.00 C ATOM 1008 CG HIS A 213 4.778 -6.635 10.664 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.557 -5.966 9.457 1.00 0.00 N ATOM 1010 CD2 HIS A 213 5.710 -5.951 11.386 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.335 -4.872 9.497 1.00 0.00 C ATOM 1012 NE2 HIS A 213 6.037 -4.837 10.644 1.00 0.00 N ATOM 0 H HIS A 213 2.112 -7.267 12.357 1.00 0.00 H new ATOM 0 HA HIS A 213 2.644 -7.877 9.532 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.189 -8.032 12.150 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.808 -8.758 10.680 1.00 0.00 H new ATOM 0 HD2 HIS A 213 6.113 -6.228 12.349 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.389 -4.126 8.718 1.00 0.00 H new ATOM 0 HE2 HIS A 213 6.698 -4.110 10.918 1.00 0.00 H new ATOM 1020 N PHE A 214 1.337 -10.098 11.404 1.00 0.00 N ATOM 1021 CA PHE A 214 1.047 -11.532 11.623 1.00 0.00 C ATOM 1022 C PHE A 214 -0.304 -11.907 10.959 1.00 0.00 C ATOM 1023 O PHE A 214 -1.120 -11.026 10.674 1.00 0.00 O ATOM 1024 CB PHE A 214 0.985 -11.814 13.128 1.00 0.00 C ATOM 1025 CG PHE A 214 2.330 -11.649 13.815 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.757 -10.382 14.263 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.174 -12.762 13.975 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.023 -10.231 14.858 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.438 -12.613 14.573 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.863 -11.347 15.011 1.00 0.00 C ATOM 0 H PHE A 214 0.672 -9.463 11.846 1.00 0.00 H new ATOM 0 HA PHE A 214 1.838 -12.133 11.174 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.262 -11.141 13.589 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.623 -12.830 13.288 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.110 -9.525 14.149 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.850 -13.735 13.637 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.349 -9.259 15.197 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.082 -13.471 14.696 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.836 -11.232 15.466 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.555 -13.190 10.644 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.750 -13.596 9.861 1.00 0.00 C ATOM 1042 C ILE A 215 -3.020 -13.381 10.696 1.00 0.00 C ATOM 1043 O ILE A 215 -3.188 -14.017 11.740 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.633 -15.094 9.473 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.357 -15.391 8.654 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.877 -15.529 8.667 1.00 0.00 C ATOM 1047 CD1 ILE A 215 -0.044 -16.887 8.506 1.00 0.00 C ATOM 0 H ILE A 215 0.048 -13.966 10.916 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.808 -12.989 8.958 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.570 -15.663 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.464 -14.953 7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.491 -14.898 9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.787 -16.582 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.772 -15.384 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.951 -14.929 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.866 -17.012 7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.097 -17.328 9.493 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.873 -17.384 8.001 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.975 -12.568 10.241 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.285 -12.459 10.895 1.00 0.00 C ATOM 1061 C HIS A 216 -6.253 -13.499 10.284 1.00 0.00 C ATOM 1062 O HIS A 216 -6.236 -14.664 10.688 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.847 -11.035 10.686 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.188 -9.981 11.540 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.552 -8.654 11.604 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.188 -10.177 12.453 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.792 -8.072 12.548 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -3.964 -8.967 13.103 1.00 0.00 N ATOM 0 H HIS A 216 -3.867 -11.973 9.420 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.178 -12.650 11.963 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.733 -10.761 9.637 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.916 -11.043 10.898 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.666 -11.105 12.636 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.842 -7.028 12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.298 -8.795 13.856 1.00 0.00 H new