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 -145:sc= 0.517 USER MOD Set 1.2: A 206 CYS SG : rot 128:sc= 0.299 USER MOD Set 1.3: A 212 CYS SG : rot -179:sc= 0.31 USER MOD Set 1.4: A 216 HIS : no HE2:sc= -0.753 X(o=0.37,f=0.56) USER MOD Set 2.1: A 159 CYS SG : rot 116:sc= 0.419 USER MOD Set 2.2: A 168 CYS SG : rot 118:sc= 0.363 USER MOD Set 2.3: A 174 CYS SG : rot -130:sc= 0.45 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.329 K(o=0.9,f=0.38) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= 0.886 K(o=0.89,f=-0.058) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 201 HIS : no HD1:sc= 0.32 K(o=0.32,f=-1.3) USER MOD Single : A 202 THR OG1 : rot 85:sc= 0.669 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 2.889 8.897 2.501 1.00 0.00 N ATOM 74 CA LYS A 155 2.000 8.462 1.375 1.00 0.00 C ATOM 75 C LYS A 155 2.108 6.924 1.158 1.00 0.00 C ATOM 76 O LYS A 155 1.849 6.442 0.059 1.00 0.00 O ATOM 77 CB LYS A 155 2.399 9.203 0.076 1.00 0.00 C ATOM 78 CG LYS A 155 2.279 10.727 0.242 1.00 0.00 C ATOM 79 CD LYS A 155 2.248 11.492 -1.086 1.00 0.00 C ATOM 80 CE LYS A 155 3.452 11.164 -1.975 1.00 0.00 C ATOM 81 NZ LYS A 155 3.527 12.078 -3.134 1.00 0.00 N ATOM 0 HA LYS A 155 0.969 8.707 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.423 8.944 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.761 8.873 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.371 10.952 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 155 3.118 11.086 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.329 11.251 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.229 12.563 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 155 4.369 11.238 -1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 155 3.379 10.134 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 4.352 11.832 -3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.661 11.989 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 3.621 13.058 -2.798 1.00 0.00 H new ATOM 95 N THR A 156 2.385 6.123 2.186 1.00 0.00 N ATOM 96 CA THR A 156 2.284 4.636 2.075 1.00 0.00 C ATOM 97 C THR A 156 0.852 4.193 2.390 1.00 0.00 C ATOM 98 O THR A 156 0.498 3.038 2.145 1.00 0.00 O ATOM 99 CB THR A 156 3.250 3.977 3.065 1.00 0.00 C ATOM 100 OG1 THR A 156 2.984 4.374 4.391 1.00 0.00 O ATOM 101 CG2 THR A 156 4.712 4.259 2.726 1.00 0.00 C ATOM 0 H THR A 156 2.680 6.457 3.104 1.00 0.00 H new ATOM 0 HA THR A 156 2.544 4.334 1.060 1.00 0.00 H new ATOM 0 HB THR A 156 3.084 2.903 2.978 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.616 3.935 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.356 3.770 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.936 3.874 1.731 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.890 5.334 2.748 1.00 0.00 H new ATOM 109 N GLU A 157 -0.016 5.072 2.903 1.00 0.00 N ATOM 110 CA GLU A 157 -1.408 4.717 3.223 1.00 0.00 C ATOM 111 C GLU A 157 -2.345 5.846 2.759 1.00 0.00 C ATOM 112 O GLU A 157 -1.937 7.011 2.712 1.00 0.00 O ATOM 113 CB GLU A 157 -1.545 4.519 4.742 1.00 0.00 C ATOM 114 CG GLU A 157 -2.846 3.844 5.171 1.00 0.00 C ATOM 115 CD GLU A 157 -2.855 3.565 6.679 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.042 2.728 7.136 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.687 4.185 7.383 1.00 0.00 O ATOM 0 H GLU A 157 0.221 6.043 3.108 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.679 3.793 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.705 3.922 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.474 5.490 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.692 4.481 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -2.971 2.909 4.625 1.00 0.00 H new ATOM 124 N LEU A 158 -3.589 5.551 2.346 1.00 0.00 N ATOM 125 CA LEU A 158 -4.498 6.576 1.797 1.00 0.00 C ATOM 126 C LEU A 158 -4.928 7.544 2.903 1.00 0.00 C ATOM 127 O LEU A 158 -5.208 7.115 4.025 1.00 0.00 O ATOM 128 CB LEU A 158 -5.745 5.895 1.218 1.00 0.00 C ATOM 129 CG LEU A 158 -5.623 5.246 -0.163 1.00 0.00 C ATOM 130 CD1 LEU A 158 -6.943 4.517 -0.405 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.400 6.272 -1.286 1.00 0.00 C ATOM 0 H LEU A 158 -3.989 4.613 2.381 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.977 7.128 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.066 5.128 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.542 6.638 1.171 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.759 4.582 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -6.917 4.031 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.091 3.766 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -7.764 5.233 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.321 5.754 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.240 6.965 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.480 6.825 -1.096 1.00 0.00 H new ATOM 143 N CYS A 159 -5.126 8.833 2.606 1.00 0.00 N ATOM 144 CA CYS A 159 -5.739 9.760 3.549 1.00 0.00 C ATOM 145 C CYS A 159 -7.254 9.517 3.576 1.00 0.00 C ATOM 146 O CYS A 159 -7.960 9.895 2.633 1.00 0.00 O ATOM 147 CB CYS A 159 -5.452 11.196 3.107 1.00 0.00 C ATOM 148 SG CYS A 159 -6.009 12.420 4.324 1.00 0.00 S ATOM 0 H CYS A 159 -4.867 9.255 1.714 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.327 9.603 4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.381 11.315 2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.946 11.385 2.154 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.982 13.065 4.792 1.00 0.00 H new ATOM 153 N ARG A 160 -7.792 8.794 4.570 1.00 0.00 N ATOM 154 CA ARG A 160 -9.199 8.351 4.539 1.00 0.00 C ATOM 155 C ARG A 160 -10.148 9.567 4.734 1.00 0.00 C ATOM 156 O ARG A 160 -11.185 9.637 4.077 1.00 0.00 O ATOM 157 CB ARG A 160 -9.439 7.322 5.648 1.00 0.00 C ATOM 158 CG ARG A 160 -8.539 6.084 5.513 1.00 0.00 C ATOM 159 CD ARG A 160 -8.689 5.152 6.720 1.00 0.00 C ATOM 160 NE ARG A 160 -7.868 5.589 7.866 1.00 0.00 N ATOM 161 CZ ARG A 160 -8.178 5.557 9.151 1.00 0.00 C ATOM 162 NH1 ARG A 160 -9.360 5.208 9.586 1.00 0.00 N ATOM 163 NH2 ARG A 160 -7.287 5.870 10.052 1.00 0.00 N ATOM 0 H ARG A 160 -7.279 8.504 5.402 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.406 7.894 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.263 7.790 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.483 7.011 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.793 5.545 4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.499 6.396 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -9.736 5.113 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -8.402 4.140 6.434 1.00 0.00 H new ATOM 0 HE ARG A 160 -6.946 5.962 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -10.090 4.945 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -9.552 5.198 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -6.346 6.141 9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -7.532 5.844 11.042 1.00 0.00 H new ATOM 177 N PRO A 161 -9.814 10.576 5.585 1.00 0.00 N ATOM 178 CA PRO A 161 -10.635 11.793 5.712 1.00 0.00 C ATOM 179 C PRO A 161 -10.825 12.445 4.323 1.00 0.00 C ATOM 180 O PRO A 161 -11.919 12.928 4.013 1.00 0.00 O ATOM 181 CB PRO A 161 -9.928 12.778 6.647 1.00 0.00 C ATOM 182 CG PRO A 161 -9.047 11.844 7.472 1.00 0.00 C ATOM 183 CD PRO A 161 -8.683 10.721 6.496 1.00 0.00 C ATOM 0 HA PRO A 161 -11.612 11.532 6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.342 13.515 6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.633 13.331 7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.158 12.356 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.578 11.460 8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.773 10.964 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.494 9.790 7.030 1.00 0.00 H new ATOM 191 N PHE A 162 -9.810 12.444 3.437 1.00 0.00 N ATOM 192 CA PHE A 162 -9.949 13.015 2.090 1.00 0.00 C ATOM 193 C PHE A 162 -10.877 12.120 1.236 1.00 0.00 C ATOM 194 O PHE A 162 -11.708 12.633 0.492 1.00 0.00 O ATOM 195 CB PHE A 162 -8.565 13.103 1.429 1.00 0.00 C ATOM 196 CG PHE A 162 -8.551 13.856 0.115 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.643 15.261 0.110 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.445 13.158 -1.104 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.633 15.965 -1.107 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.430 13.864 -2.321 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.525 15.267 -2.323 1.00 0.00 C ATOM 0 H PHE A 162 -8.888 12.054 3.633 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.382 14.013 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.875 13.588 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.191 12.093 1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.721 15.799 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.375 12.080 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.708 17.042 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.345 13.328 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.515 15.808 -3.258 1.00 0.00 H new ATOM 211 N GLU A 163 -10.802 10.788 1.338 1.00 0.00 N ATOM 212 CA GLU A 163 -11.727 9.889 0.605 1.00 0.00 C ATOM 213 C GLU A 163 -13.176 10.106 1.107 1.00 0.00 C ATOM 214 O GLU A 163 -14.126 9.942 0.337 1.00 0.00 O ATOM 215 CB GLU A 163 -11.322 8.429 0.848 1.00 0.00 C ATOM 216 CG GLU A 163 -10.004 7.977 0.224 1.00 0.00 C ATOM 217 CD GLU A 163 -9.815 6.491 0.544 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.209 6.189 1.600 1.00 0.00 O ATOM 219 OE2 GLU A 163 -10.310 5.654 -0.248 1.00 0.00 O ATOM 0 H GLU A 163 -10.117 10.302 1.916 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.674 10.113 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.264 8.265 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.117 7.786 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.018 8.136 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.174 8.561 0.621 1.00 0.00 H new ATOM 226 N GLU A 164 -13.396 10.405 2.393 1.00 0.00 N ATOM 227 CA GLU A 164 -14.757 10.460 2.963 1.00 0.00 C ATOM 228 C GLU A 164 -15.387 11.845 2.700 1.00 0.00 C ATOM 229 O GLU A 164 -16.576 11.927 2.382 1.00 0.00 O ATOM 230 CB GLU A 164 -14.683 10.213 4.478 1.00 0.00 C ATOM 231 CG GLU A 164 -14.379 8.739 4.790 1.00 0.00 C ATOM 232 CD GLU A 164 -14.122 8.537 6.287 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.109 8.298 7.026 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.941 8.620 6.704 1.00 0.00 O ATOM 0 H GLU A 164 -12.654 10.613 3.061 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.373 9.694 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.910 10.846 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.628 10.498 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.216 8.116 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.508 8.415 4.221 1.00 0.00 H new ATOM 241 N SER A 165 -14.658 12.957 2.884 1.00 0.00 N ATOM 242 CA SER A 165 -15.274 14.314 2.852 1.00 0.00 C ATOM 243 C SER A 165 -14.652 15.156 1.720 1.00 0.00 C ATOM 244 O SER A 165 -15.144 16.248 1.426 1.00 0.00 O ATOM 245 CB SER A 165 -15.036 15.013 4.199 1.00 0.00 C ATOM 246 OG SER A 165 -15.631 14.293 5.270 1.00 0.00 O ATOM 0 H SER A 165 -13.652 12.956 3.055 1.00 0.00 H new ATOM 0 HA SER A 165 -16.344 14.214 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.965 15.111 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.447 16.022 4.164 1.00 0.00 H new ATOM 0 HG SER A 165 -15.461 14.762 6.114 1.00 0.00 H new ATOM 252 N GLY A 166 -13.596 14.691 1.036 1.00 0.00 N ATOM 253 CA GLY A 166 -13.018 15.424 -0.111 1.00 0.00 C ATOM 254 C GLY A 166 -12.164 16.608 0.393 1.00 0.00 C ATOM 255 O GLY A 166 -11.754 17.454 -0.406 1.00 0.00 O ATOM 0 H GLY A 166 -13.123 13.814 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.404 14.752 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.815 15.790 -0.758 1.00 0.00 H new ATOM 259 N THR A 167 -11.884 16.726 1.704 1.00 0.00 N ATOM 260 CA THR A 167 -11.096 17.857 2.244 1.00 0.00 C ATOM 261 C THR A 167 -10.084 17.338 3.267 1.00 0.00 C ATOM 262 O THR A 167 -10.323 16.303 3.902 1.00 0.00 O ATOM 263 CB THR A 167 -12.045 18.866 2.924 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.318 20.019 3.293 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.769 18.352 4.175 1.00 0.00 C ATOM 0 H THR A 167 -12.189 16.056 2.410 1.00 0.00 H new ATOM 0 HA THR A 167 -10.565 18.349 1.429 1.00 0.00 H new ATOM 0 HB THR A 167 -12.815 19.068 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.920 20.661 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.410 19.139 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.378 17.486 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.035 18.065 4.928 1.00 0.00 H new ATOM 273 N CYS A 168 -8.945 18.014 3.483 1.00 0.00 N ATOM 274 CA CYS A 168 -7.968 17.596 4.492 1.00 0.00 C ATOM 275 C CYS A 168 -7.341 18.843 5.149 1.00 0.00 C ATOM 276 O CYS A 168 -6.805 19.710 4.448 1.00 0.00 O ATOM 277 CB CYS A 168 -6.873 16.761 3.823 1.00 0.00 C ATOM 278 SG CYS A 168 -5.775 16.110 5.109 1.00 0.00 S ATOM 0 H CYS A 168 -8.680 18.854 2.969 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.465 16.998 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.315 15.943 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.309 17.372 3.118 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.814 14.811 5.096 1.00 0.00 H new ATOM 283 N LYS A 169 -7.398 18.991 6.482 1.00 0.00 N ATOM 284 CA LYS A 169 -6.887 20.206 7.165 1.00 0.00 C ATOM 285 C LYS A 169 -5.353 20.264 7.059 1.00 0.00 C ATOM 286 O LYS A 169 -4.763 21.327 7.269 1.00 0.00 O ATOM 287 CB LYS A 169 -7.295 20.169 8.650 1.00 0.00 C ATOM 288 CG LYS A 169 -8.798 19.949 8.903 1.00 0.00 C ATOM 289 CD LYS A 169 -9.147 19.974 10.399 1.00 0.00 C ATOM 290 CE LYS A 169 -8.502 18.809 11.166 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.905 18.820 12.587 1.00 0.00 N ATOM 0 H LYS A 169 -7.790 18.291 7.112 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.312 21.089 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.738 19.374 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.996 21.107 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.368 20.721 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.100 18.992 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.817 20.918 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.230 19.930 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.794 17.863 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.417 18.877 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.455 18.023 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.605 19.714 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.939 18.731 12.655 1.00 0.00 H new ATOM 305 N TYR A 170 -4.664 19.162 6.762 1.00 0.00 N ATOM 306 CA TYR A 170 -3.196 19.165 6.653 1.00 0.00 C ATOM 307 C TYR A 170 -2.775 19.608 5.227 1.00 0.00 C ATOM 308 O TYR A 170 -1.664 20.108 5.041 1.00 0.00 O ATOM 309 CB TYR A 170 -2.660 17.760 6.935 1.00 0.00 C ATOM 310 CG TYR A 170 -2.599 17.402 8.409 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.780 17.136 9.132 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.351 17.338 9.060 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.716 16.817 10.503 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.283 17.010 10.426 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.463 16.747 11.152 1.00 0.00 C ATOM 316 OH TYR A 170 -2.387 16.427 12.473 1.00 0.00 O ATOM 0 H TYR A 170 -5.095 18.253 6.592 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.783 19.864 7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.290 17.033 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.660 17.672 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.737 17.177 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.445 17.541 8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.623 16.626 11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.324 16.959 10.920 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.449 16.424 12.755 1.00 0.00 H new ATOM 326 N GLY A 171 -3.645 19.503 4.209 1.00 0.00 N ATOM 327 CA GLY A 171 -3.340 20.017 2.856 1.00 0.00 C ATOM 328 C GLY A 171 -2.067 19.341 2.308 1.00 0.00 C ATOM 329 O GLY A 171 -1.921 18.123 2.413 1.00 0.00 O ATOM 0 H GLY A 171 -4.564 19.069 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.180 19.825 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.201 21.098 2.892 1.00 0.00 H new ATOM 333 N GLU A 172 -1.135 20.082 1.690 1.00 0.00 N ATOM 334 CA GLU A 172 0.080 19.480 1.083 1.00 0.00 C ATOM 335 C GLU A 172 1.047 19.008 2.192 1.00 0.00 C ATOM 336 O GLU A 172 2.024 18.311 1.902 1.00 0.00 O ATOM 337 CB GLU A 172 0.785 20.527 0.202 1.00 0.00 C ATOM 338 CG GLU A 172 -0.051 20.932 -1.020 1.00 0.00 C ATOM 339 CD GLU A 172 0.714 21.928 -1.903 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.606 23.152 -1.643 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.412 21.471 -2.842 1.00 0.00 O ATOM 0 H GLU A 172 -1.191 21.096 1.593 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.212 18.624 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.001 21.413 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.742 20.128 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.305 20.046 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.990 21.378 -0.691 1.00 0.00 H new ATOM 348 N LYS A 173 0.798 19.319 3.476 1.00 0.00 N ATOM 349 CA LYS A 173 1.638 18.820 4.584 1.00 0.00 C ATOM 350 C LYS A 173 1.070 17.487 5.107 1.00 0.00 C ATOM 351 O LYS A 173 1.697 16.843 5.954 1.00 0.00 O ATOM 352 CB LYS A 173 1.653 19.866 5.726 1.00 0.00 C ATOM 353 CG LYS A 173 2.495 19.575 6.984 1.00 0.00 C ATOM 354 CD LYS A 173 3.986 19.307 6.740 1.00 0.00 C ATOM 355 CE LYS A 173 4.702 20.570 6.249 1.00 0.00 C ATOM 356 NZ LYS A 173 6.145 20.321 6.044 1.00 0.00 N ATOM 0 H LYS A 173 0.024 19.912 3.774 1.00 0.00 H new ATOM 0 HA LYS A 173 2.655 18.658 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 173 2.001 20.809 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 173 0.623 20.021 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 173 2.404 20.422 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.068 18.711 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 173 4.451 18.957 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 173 4.100 18.512 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.252 20.906 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.568 21.372 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 6.604 21.193 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 6.577 20.023 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 6.271 19.572 5.334 1.00 0.00 H new ATOM 370 N CYS A 174 -0.068 16.990 4.595 1.00 0.00 N ATOM 371 CA CYS A 174 -0.615 15.706 5.031 1.00 0.00 C ATOM 372 C CYS A 174 0.355 14.580 4.653 1.00 0.00 C ATOM 373 O CYS A 174 0.794 14.499 3.499 1.00 0.00 O ATOM 374 CB CYS A 174 -1.971 15.470 4.360 1.00 0.00 C ATOM 375 SG CYS A 174 -2.722 13.992 5.088 1.00 0.00 S ATOM 0 H CYS A 174 -0.622 17.461 3.880 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.748 15.717 6.113 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.620 16.334 4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.844 15.340 3.285 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.115 13.193 4.141 1.00 0.00 H new ATOM 380 N GLN A 175 0.772 13.731 5.592 1.00 0.00 N ATOM 381 CA GLN A 175 1.781 12.707 5.327 1.00 0.00 C ATOM 382 C GLN A 175 1.115 11.460 4.700 1.00 0.00 C ATOM 383 O GLN A 175 1.762 10.421 4.572 1.00 0.00 O ATOM 384 CB GLN A 175 2.468 12.316 6.647 1.00 0.00 C ATOM 385 CG GLN A 175 3.186 13.486 7.341 1.00 0.00 C ATOM 386 CD GLN A 175 4.290 14.088 6.477 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.356 13.513 6.293 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.090 15.258 5.908 1.00 0.00 N ATOM 0 H GLN A 175 0.423 13.733 6.550 1.00 0.00 H new ATOM 0 HA GLN A 175 2.521 13.102 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.722 11.905 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.190 11.524 6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.459 14.260 7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.613 13.139 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.208 15.750 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.817 15.672 5.324 1.00 0.00 H new ATOM 397 N PHE A 176 -0.161 11.514 4.289 1.00 0.00 N ATOM 398 CA PHE A 176 -0.856 10.342 3.720 1.00 0.00 C ATOM 399 C PHE A 176 -1.196 10.606 2.242 1.00 0.00 C ATOM 400 O PHE A 176 -1.126 11.751 1.783 1.00 0.00 O ATOM 401 CB PHE A 176 -2.147 10.080 4.510 1.00 0.00 C ATOM 402 CG PHE A 176 -1.910 9.570 5.920 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.599 10.459 6.967 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.979 8.190 6.182 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.339 9.966 8.259 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.704 7.695 7.469 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.383 8.585 8.509 1.00 0.00 C ATOM 0 H PHE A 176 -0.735 12.355 4.339 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.207 9.469 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.725 11.003 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.752 9.354 3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.560 11.522 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.245 7.506 5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.105 10.651 9.060 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.739 6.632 7.658 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.171 8.207 9.498 1.00 0.00 H new ATOM 417 N ALA A 177 -1.518 9.585 1.447 1.00 0.00 N ATOM 418 CA ALA A 177 -1.733 9.752 0.007 1.00 0.00 C ATOM 419 C ALA A 177 -3.115 10.388 -0.245 1.00 0.00 C ATOM 420 O ALA A 177 -4.141 9.780 0.074 1.00 0.00 O ATOM 421 CB ALA A 177 -1.670 8.382 -0.677 1.00 0.00 C ATOM 0 H ALA A 177 -1.637 8.627 1.778 1.00 0.00 H new ATOM 0 HA ALA A 177 -0.959 10.403 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -1.830 8.503 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.692 7.934 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.444 7.734 -0.266 1.00 0.00 H new ATOM 427 N HIS A 178 -3.202 11.563 -0.879 1.00 0.00 N ATOM 428 CA HIS A 178 -4.496 12.120 -1.311 1.00 0.00 C ATOM 429 C HIS A 178 -4.879 11.524 -2.679 1.00 0.00 C ATOM 430 O HIS A 178 -6.066 11.373 -2.974 1.00 0.00 O ATOM 431 CB HIS A 178 -4.387 13.652 -1.426 1.00 0.00 C ATOM 432 CG HIS A 178 -4.342 14.375 -0.095 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.249 15.737 0.092 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.469 13.807 1.143 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.329 15.977 1.416 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.482 14.828 2.092 1.00 0.00 N ATOM 0 H HIS A 178 -2.397 12.147 -1.105 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.263 11.868 -0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.488 13.899 -1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.236 14.023 -1.999 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.546 12.750 1.350 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.277 16.956 1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.587 14.723 3.101 1.00 0.00 H new ATOM 444 N GLY A 179 -3.916 11.116 -3.521 1.00 0.00 N ATOM 445 CA GLY A 179 -4.220 10.439 -4.787 1.00 0.00 C ATOM 446 C GLY A 179 -3.853 8.963 -4.681 1.00 0.00 C ATOM 447 O GLY A 179 -2.793 8.626 -4.150 1.00 0.00 O ATOM 0 H GLY A 179 -2.920 11.245 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.279 10.544 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -3.665 10.904 -5.602 1.00 0.00 H new ATOM 724 N GLU A 195 3.219 -15.999 10.427 1.00 0.00 N ATOM 725 CA GLU A 195 2.772 -16.597 11.706 1.00 0.00 C ATOM 726 C GLU A 195 1.363 -16.083 12.055 1.00 0.00 C ATOM 727 O GLU A 195 1.027 -14.935 11.745 1.00 0.00 O ATOM 728 CB GLU A 195 3.751 -16.208 12.824 1.00 0.00 C ATOM 729 CG GLU A 195 5.059 -17.005 12.774 1.00 0.00 C ATOM 730 CD GLU A 195 6.005 -16.568 13.901 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.701 -16.881 15.077 1.00 0.00 O ATOM 732 OE2 GLU A 195 7.033 -15.920 13.590 1.00 0.00 O ATOM 0 HA GLU A 195 2.746 -17.682 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.976 -15.144 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.272 -16.365 13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.845 -18.070 12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.543 -16.858 11.809 1.00 0.00 H new ATOM 739 N LEU A 196 0.508 -16.882 12.714 1.00 0.00 N ATOM 740 CA LEU A 196 -0.844 -16.441 13.102 1.00 0.00 C ATOM 741 C LEU A 196 -0.745 -15.314 14.144 1.00 0.00 C ATOM 742 O LEU A 196 0.017 -15.431 15.113 1.00 0.00 O ATOM 743 CB LEU A 196 -1.618 -17.631 13.704 1.00 0.00 C ATOM 744 CG LEU A 196 -1.784 -18.853 12.780 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.625 -19.918 13.487 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.458 -18.509 11.449 1.00 0.00 C ATOM 0 H LEU A 196 0.729 -17.839 12.990 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.369 -16.071 12.221 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.107 -17.951 14.612 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.608 -17.285 14.000 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.781 -19.219 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.742 -20.782 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.126 -20.224 14.407 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.606 -19.508 13.725 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.547 -19.410 10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.451 -18.100 11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.857 -17.771 10.917 1.00 0.00 H new ATOM 758 N CYS A 197 -1.511 -14.228 14.016 1.00 0.00 N ATOM 759 CA CYS A 197 -1.510 -13.152 15.008 1.00 0.00 C ATOM 760 C CYS A 197 -2.148 -13.651 16.314 1.00 0.00 C ATOM 761 O CYS A 197 -3.320 -14.044 16.325 1.00 0.00 O ATOM 762 CB CYS A 197 -2.300 -11.958 14.468 1.00 0.00 C ATOM 763 SG CYS A 197 -2.374 -10.595 15.666 1.00 0.00 S ATOM 0 H CYS A 197 -2.143 -14.071 13.231 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.484 -12.844 15.207 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.839 -11.605 13.545 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.312 -12.276 14.217 1.00 0.00 H new ATOM 0 HG CYS A 197 -3.524 -9.996 15.572 1.00 0.00 H new ATOM 768 N ARG A 198 -1.419 -13.663 17.431 1.00 0.00 N ATOM 769 CA ARG A 198 -1.948 -14.152 18.726 1.00 0.00 C ATOM 770 C ARG A 198 -3.216 -13.381 19.095 1.00 0.00 C ATOM 771 O ARG A 198 -4.237 -13.994 19.386 1.00 0.00 O ATOM 772 CB ARG A 198 -0.885 -13.954 19.826 1.00 0.00 C ATOM 773 CG ARG A 198 0.391 -14.776 19.588 1.00 0.00 C ATOM 774 CD ARG A 198 1.523 -14.362 20.545 1.00 0.00 C ATOM 775 NE ARG A 198 2.853 -14.633 19.969 1.00 0.00 N ATOM 776 CZ ARG A 198 3.443 -15.804 19.790 1.00 0.00 C ATOM 777 NH1 ARG A 198 2.936 -16.928 20.224 1.00 0.00 N ATOM 778 NH2 ARG A 198 4.578 -15.861 19.149 1.00 0.00 N ATOM 0 H ARG A 198 -0.453 -13.339 17.475 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.187 -15.212 18.637 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.624 -12.897 19.884 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.313 -14.230 20.790 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.171 -15.835 19.721 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.720 -14.646 18.557 1.00 0.00 H new ATOM 0 HD2 ARG A 198 1.435 -13.300 20.774 1.00 0.00 H new ATOM 0 HD3 ARG A 198 1.418 -14.901 21.487 1.00 0.00 H new ATOM 0 HE ARG A 198 3.385 -13.815 19.671 1.00 0.00 H new ATOM 0 HH11 ARG A 198 2.048 -16.927 20.725 1.00 0.00 H new ATOM 0 HH12 ARG A 198 3.429 -17.806 20.061 1.00 0.00 H new ATOM 0 HH21 ARG A 198 5.004 -15.007 18.790 1.00 0.00 H new ATOM 0 HH22 ARG A 198 5.039 -16.760 19.007 1.00 0.00 H new ATOM 792 N THR A 199 -3.209 -12.045 19.122 1.00 0.00 N ATOM 793 CA THR A 199 -4.395 -11.262 19.544 1.00 0.00 C ATOM 794 C THR A 199 -5.601 -11.607 18.649 1.00 0.00 C ATOM 795 O THR A 199 -6.682 -11.879 19.164 1.00 0.00 O ATOM 796 CB THR A 199 -4.088 -9.757 19.439 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.787 -9.487 19.925 1.00 0.00 O ATOM 798 CG2 THR A 199 -5.044 -8.938 20.309 1.00 0.00 C ATOM 0 H THR A 199 -2.404 -11.477 18.860 1.00 0.00 H new ATOM 0 HA THR A 199 -4.635 -11.512 20.578 1.00 0.00 H new ATOM 0 HB THR A 199 -4.190 -9.487 18.388 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.603 -8.527 19.851 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.804 -7.879 20.215 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.070 -9.108 19.982 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.940 -9.243 21.350 1.00 0.00 H new ATOM 806 N PHE A 200 -5.466 -11.650 17.318 1.00 0.00 N ATOM 807 CA PHE A 200 -6.613 -11.928 16.433 1.00 0.00 C ATOM 808 C PHE A 200 -7.084 -13.393 16.620 1.00 0.00 C ATOM 809 O PHE A 200 -8.286 -13.652 16.639 1.00 0.00 O ATOM 810 CB PHE A 200 -6.203 -11.698 14.973 1.00 0.00 C ATOM 811 CG PHE A 200 -7.364 -11.741 13.999 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.114 -10.576 13.750 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.704 -12.944 13.350 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.202 -10.615 12.860 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.792 -12.982 12.459 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.542 -11.818 12.215 1.00 0.00 C ATOM 0 H PHE A 200 -4.584 -11.498 16.830 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.433 -11.257 16.689 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.708 -10.730 14.892 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.472 -12.454 14.687 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.853 -9.651 14.243 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.129 -13.839 13.537 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.777 -9.721 12.671 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.051 -13.905 11.962 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.379 -11.847 11.533 1.00 0.00 H new ATOM 826 N HIS A 201 -6.190 -14.368 16.776 1.00 0.00 N ATOM 827 CA HIS A 201 -6.594 -15.792 16.902 1.00 0.00 C ATOM 828 C HIS A 201 -6.943 -16.128 18.388 1.00 0.00 C ATOM 829 O HIS A 201 -7.401 -17.237 18.673 1.00 0.00 O ATOM 830 CB HIS A 201 -5.444 -16.694 16.422 1.00 0.00 C ATOM 831 CG HIS A 201 -5.406 -16.745 14.908 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.966 -17.762 14.131 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.984 -15.745 14.078 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.865 -17.356 12.854 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.279 -16.148 12.794 1.00 0.00 N ATOM 0 H HIS A 201 -5.183 -14.213 16.820 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.477 -15.966 16.288 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.495 -16.317 16.803 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.571 -17.700 16.823 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.511 -14.819 14.371 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.206 -17.920 11.998 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.086 -15.620 11.943 1.00 0.00 H new ATOM 843 N THR A 202 -6.789 -15.197 19.346 1.00 0.00 N ATOM 844 CA THR A 202 -7.130 -15.471 20.782 1.00 0.00 C ATOM 845 C THR A 202 -8.305 -14.576 21.229 1.00 0.00 C ATOM 846 O THR A 202 -9.151 -15.024 22.007 1.00 0.00 O ATOM 847 CB THR A 202 -5.902 -15.188 21.670 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.814 -15.995 21.274 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.138 -15.463 23.156 1.00 0.00 C ATOM 0 H THR A 202 -6.437 -14.256 19.171 1.00 0.00 H new ATOM 0 HA THR A 202 -7.420 -16.517 20.883 1.00 0.00 H new ATOM 0 HB THR A 202 -5.698 -14.125 21.539 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.339 -15.564 20.533 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.230 -15.241 23.716 1.00 0.00 H new ATOM 0 HG22 THR A 202 -6.951 -14.833 23.518 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.402 -16.511 23.295 1.00 0.00 H new ATOM 857 N ILE A 203 -8.427 -13.331 20.750 1.00 0.00 N ATOM 858 CA ILE A 203 -9.551 -12.440 21.148 1.00 0.00 C ATOM 859 C ILE A 203 -10.548 -12.304 19.976 1.00 0.00 C ATOM 860 O ILE A 203 -11.659 -11.806 20.167 1.00 0.00 O ATOM 861 CB ILE A 203 -8.996 -11.034 21.528 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.692 -11.125 22.362 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.057 -10.261 22.342 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.207 -9.822 23.012 1.00 0.00 C ATOM 0 H ILE A 203 -7.772 -12.910 20.091 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.063 -12.871 22.008 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.767 -10.513 20.598 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.840 -11.865 23.149 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.899 -11.501 21.716 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.667 -9.278 22.607 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.960 -10.144 21.744 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.293 -10.815 23.251 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.289 -10.012 23.567 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -7.016 -9.079 22.238 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.972 -9.448 23.693 1.00 0.00 H new ATOM 876 N GLY A 204 -10.197 -12.716 18.747 1.00 0.00 N ATOM 877 CA GLY A 204 -11.049 -12.478 17.569 1.00 0.00 C ATOM 878 C GLY A 204 -10.827 -11.042 17.047 1.00 0.00 C ATOM 879 O GLY A 204 -11.522 -10.607 16.127 1.00 0.00 O ATOM 0 H GLY A 204 -9.331 -13.215 18.543 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.814 -13.200 16.787 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.097 -12.622 17.831 1.00 0.00 H new ATOM 883 N PHE A 205 -9.892 -10.262 17.621 1.00 0.00 N ATOM 884 CA PHE A 205 -9.686 -8.859 17.223 1.00 0.00 C ATOM 885 C PHE A 205 -8.196 -8.488 17.387 1.00 0.00 C ATOM 886 O PHE A 205 -7.465 -9.183 18.090 1.00 0.00 O ATOM 887 CB PHE A 205 -10.545 -7.945 18.118 1.00 0.00 C ATOM 888 CG PHE A 205 -10.312 -6.452 17.953 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.453 -5.855 16.687 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.891 -5.672 19.048 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.178 -4.485 16.514 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.614 -4.304 18.875 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.759 -3.710 17.609 1.00 0.00 C ATOM 0 H PHE A 205 -9.268 -10.581 18.362 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.977 -8.729 16.181 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.596 -8.154 17.917 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.361 -8.210 19.159 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.773 -6.450 15.844 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.781 -6.125 20.022 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.289 -4.030 15.541 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.289 -3.709 19.716 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.549 -2.659 17.478 1.00 0.00 H new ATOM 903 N CYS A 206 -7.716 -7.379 16.802 1.00 0.00 N ATOM 904 CA CYS A 206 -6.331 -6.931 16.989 1.00 0.00 C ATOM 905 C CYS A 206 -6.274 -5.384 16.921 1.00 0.00 C ATOM 906 O CYS A 206 -6.825 -4.786 15.987 1.00 0.00 O ATOM 907 CB CYS A 206 -5.451 -7.531 15.888 1.00 0.00 C ATOM 908 SG CYS A 206 -3.706 -7.070 16.076 1.00 0.00 S ATOM 0 H CYS A 206 -8.270 -6.776 16.194 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.967 -7.261 17.962 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.542 -8.617 15.905 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.811 -7.196 14.915 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.968 -8.140 16.042 1.00 0.00 H new ATOM 913 N PRO A 207 -5.642 -4.689 17.893 1.00 0.00 N ATOM 914 CA PRO A 207 -5.661 -3.223 17.953 1.00 0.00 C ATOM 915 C PRO A 207 -4.790 -2.631 16.823 1.00 0.00 C ATOM 916 O PRO A 207 -4.877 -1.433 16.544 1.00 0.00 O ATOM 917 CB PRO A 207 -5.112 -2.778 19.310 1.00 0.00 C ATOM 918 CG PRO A 207 -4.233 -3.979 19.682 1.00 0.00 C ATOM 919 CD PRO A 207 -4.947 -5.192 19.067 1.00 0.00 C ATOM 0 HA PRO A 207 -6.684 -2.868 17.828 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.538 -1.854 19.239 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.904 -2.606 20.039 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.224 -3.870 19.284 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.139 -4.081 20.763 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.233 -5.970 18.796 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.647 -5.635 19.776 1.00 0.00 H new ATOM 927 N TYR A 208 -3.979 -3.430 16.114 1.00 0.00 N ATOM 928 CA TYR A 208 -3.194 -2.929 14.968 1.00 0.00 C ATOM 929 C TYR A 208 -4.038 -3.019 13.678 1.00 0.00 C ATOM 930 O TYR A 208 -3.732 -2.343 12.692 1.00 0.00 O ATOM 931 CB TYR A 208 -1.920 -3.768 14.815 1.00 0.00 C ATOM 932 CG TYR A 208 -0.965 -3.579 15.983 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.184 -2.410 16.072 1.00 0.00 C ATOM 934 CD2 TYR A 208 -0.882 -4.551 17.000 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.675 -2.213 17.170 1.00 0.00 C ATOM 936 CE2 TYR A 208 -0.022 -4.360 18.099 1.00 0.00 C ATOM 937 CZ TYR A 208 0.765 -3.190 18.185 1.00 0.00 C ATOM 938 OH TYR A 208 1.611 -3.002 19.237 1.00 0.00 O ATOM 0 H TYR A 208 -3.847 -4.422 16.310 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.922 -1.888 15.143 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.188 -4.821 14.734 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.416 -3.495 13.888 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -0.244 -1.662 15.295 1.00 0.00 H new ATOM 0 HD2 TYR A 208 -1.481 -5.447 16.936 1.00 0.00 H new ATOM 0 HE1 TYR A 208 1.267 -1.312 17.236 1.00 0.00 H new ATOM 0 HE2 TYR A 208 0.036 -5.108 18.876 1.00 0.00 H new ATOM 0 HH TYR A 208 1.551 -3.768 19.846 1.00 0.00 H new ATOM 948 N GLY A 209 -5.145 -3.779 13.657 1.00 0.00 N ATOM 949 CA GLY A 209 -6.044 -3.825 12.489 1.00 0.00 C ATOM 950 C GLY A 209 -5.267 -4.311 11.245 1.00 0.00 C ATOM 951 O GLY A 209 -4.419 -5.201 11.356 1.00 0.00 O ATOM 0 H GLY A 209 -5.440 -4.370 14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.881 -4.494 12.690 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.463 -2.836 12.303 1.00 0.00 H new ATOM 955 N PRO A 210 -5.528 -3.772 10.037 1.00 0.00 N ATOM 956 CA PRO A 210 -4.870 -4.233 8.815 1.00 0.00 C ATOM 957 C PRO A 210 -3.376 -3.823 8.830 1.00 0.00 C ATOM 958 O PRO A 210 -2.602 -4.292 7.992 1.00 0.00 O ATOM 959 CB PRO A 210 -5.564 -3.598 7.609 1.00 0.00 C ATOM 960 CG PRO A 210 -6.166 -2.337 8.238 1.00 0.00 C ATOM 961 CD PRO A 210 -6.484 -2.729 9.689 1.00 0.00 C ATOM 0 HA PRO A 210 -4.936 -5.319 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.863 -3.363 6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.327 -4.250 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.465 -1.503 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.065 -2.022 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.388 -1.872 10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.508 -3.091 9.781 1.00 0.00 H new ATOM 969 N ARG A 211 -2.920 -2.970 9.770 1.00 0.00 N ATOM 970 CA ARG A 211 -1.498 -2.564 9.841 1.00 0.00 C ATOM 971 C ARG A 211 -0.695 -3.615 10.641 1.00 0.00 C ATOM 972 O ARG A 211 0.515 -3.458 10.822 1.00 0.00 O ATOM 973 CB ARG A 211 -1.387 -1.189 10.534 1.00 0.00 C ATOM 974 CG ARG A 211 -2.302 -0.123 9.899 1.00 0.00 C ATOM 975 CD ARG A 211 -2.108 1.249 10.551 1.00 0.00 C ATOM 976 NE ARG A 211 -3.072 2.232 10.028 1.00 0.00 N ATOM 977 CZ ARG A 211 -4.292 2.477 10.475 1.00 0.00 C ATOM 978 NH1 ARG A 211 -4.818 1.845 11.493 1.00 0.00 N ATOM 979 NH2 ARG A 211 -5.027 3.378 9.887 1.00 0.00 N ATOM 0 H ARG A 211 -3.511 -2.550 10.488 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.092 -2.494 8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.641 -1.297 11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.353 -0.847 10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -2.092 -0.052 8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -3.343 -0.430 9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -2.226 1.160 11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -1.092 1.600 10.369 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.763 2.787 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -4.282 1.127 11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -5.764 2.071 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -4.661 3.891 9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -5.969 3.570 10.229 1.00 0.00 H new ATOM 993 N CYS A 212 -1.319 -4.702 11.133 1.00 0.00 N ATOM 994 CA CYS A 212 -0.605 -5.747 11.875 1.00 0.00 C ATOM 995 C CYS A 212 0.347 -6.509 10.919 1.00 0.00 C ATOM 996 O CYS A 212 0.032 -6.678 9.735 1.00 0.00 O ATOM 997 CB CYS A 212 -1.622 -6.724 12.475 1.00 0.00 C ATOM 998 SG CYS A 212 -0.838 -7.824 13.683 1.00 0.00 S ATOM 0 H CYS A 212 -2.319 -4.875 11.027 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.020 -5.292 12.674 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.427 -6.167 12.955 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.075 -7.316 11.680 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.723 -8.649 14.157 1.00 0.00 H new ATOM 1003 N HIS A 213 1.502 -7.001 11.385 1.00 0.00 N ATOM 1004 CA HIS A 213 2.462 -7.712 10.515 1.00 0.00 C ATOM 1005 C HIS A 213 2.176 -9.229 10.542 1.00 0.00 C ATOM 1006 O HIS A 213 2.897 -10.000 9.901 1.00 0.00 O ATOM 1007 CB HIS A 213 3.893 -7.457 11.016 1.00 0.00 C ATOM 1008 CG HIS A 213 4.321 -6.016 11.147 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.063 -4.988 10.238 1.00 0.00 N ATOM 1010 CD2 HIS A 213 5.093 -5.530 12.162 1.00 0.00 C ATOM 1011 CE1 HIS A 213 4.660 -3.895 10.744 1.00 0.00 C ATOM 1012 NE2 HIS A 213 5.283 -4.191 11.902 1.00 0.00 N ATOM 0 H HIS A 213 1.799 -6.923 12.358 1.00 0.00 H new ATOM 0 HA HIS A 213 2.357 -7.344 9.494 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.002 -7.934 11.990 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.585 -7.957 10.338 1.00 0.00 H new ATOM 0 HD2 HIS A 213 5.479 -6.086 13.004 1.00 0.00 H new ATOM 0 HE1 HIS A 213 4.643 -2.917 10.287 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.805 -3.537 12.485 1.00 0.00 H new ATOM 1020 N PHE A 214 1.176 -9.710 11.299 1.00 0.00 N ATOM 1021 CA PHE A 214 0.965 -11.163 11.490 1.00 0.00 C ATOM 1022 C PHE A 214 -0.374 -11.594 10.837 1.00 0.00 C ATOM 1023 O PHE A 214 -1.222 -10.747 10.542 1.00 0.00 O ATOM 1024 CB PHE A 214 0.940 -11.480 12.988 1.00 0.00 C ATOM 1025 CG PHE A 214 2.314 -11.308 13.616 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.771 -10.033 14.006 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.166 -12.418 13.751 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.070 -9.870 14.515 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.466 -12.259 14.265 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.918 -10.984 14.647 1.00 0.00 C ATOM 0 H PHE A 214 0.502 -9.121 11.788 1.00 0.00 H new ATOM 0 HA PHE A 214 1.780 -11.711 11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.226 -10.826 13.488 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.595 -12.503 13.139 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.119 -9.177 13.913 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.821 -13.399 13.458 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.417 -8.889 14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.116 -13.116 14.366 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.916 -10.860 15.042 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.574 -12.887 10.527 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.752 -13.340 9.749 1.00 0.00 C ATOM 1042 C ILE A 215 -3.027 -13.183 10.591 1.00 0.00 C ATOM 1043 O ILE A 215 -3.157 -13.817 11.643 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.574 -14.833 9.356 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.285 -15.093 8.544 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.801 -15.311 8.549 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.055 -16.583 8.392 1.00 0.00 C ATOM 0 H ILE A 215 0.060 -13.638 10.800 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.839 -12.733 8.848 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.486 -15.397 10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.394 -14.651 7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.549 -14.586 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.671 -16.358 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.700 -15.203 9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.899 -14.710 7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.971 -16.690 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.196 -17.026 9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.761 -17.092 7.879 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.024 -12.421 10.138 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.331 -12.365 10.804 1.00 0.00 C ATOM 1061 C HIS A 216 -6.272 -13.422 10.181 1.00 0.00 C ATOM 1062 O HIS A 216 -6.202 -14.598 10.545 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.940 -10.955 10.628 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.321 -9.893 11.499 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.756 -8.590 11.606 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.300 -10.062 12.393 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.018 -7.995 12.558 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.137 -8.861 13.078 1.00 0.00 N ATOM 0 H HIS A 216 -3.953 -11.831 9.309 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.208 -12.573 11.867 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.837 -10.657 9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.008 -11.005 10.842 1.00 0.00 H new ATOM 0 HD1 HIS A 216 -6.502 -8.156 11.062 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.724 -10.964 12.541 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.120 -6.964 12.862 1.00 0.00 H new