USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 250 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 191 ASN : amide:sc= -2.2! K(o=-3.5!,f=-1.2) USER MOD Set 1.2: A 196 THR OG1 : rot 180:sc= -1.33 USER MOD Set 1.3: A 198 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: A 182 THR OG1 : rot 130:sc= -2.32! USER MOD Set 2.2: A 186 GLN : amide:sc= -0.933 K(o=-3.3,f=-4) USER MOD Single : A 179 MET CE :methyl -151:sc= -0.294 (180deg=-1.33) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot -20:sc= 0.104 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -1.04! C(o=-1!,f=-6.8!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 197 THR OG1 : rot 44:sc= 0.0698 USER MOD Single : A 200 GLN : amide:sc= -0.86 K(o=-0.86,f=0) USER MOD Single : B 203 TYR OH : rot -100:sc= -0.0112 USER MOD Single : B 205 HIS : no HD1:sc=-0.00297 X(o=-0.003,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 10.632 3.680 -0.091 1.00 15.00 N ATOM 46 CA LEU A 173 9.494 2.837 -0.409 1.00 15.00 C ATOM 47 C LEU A 173 9.982 1.431 -0.740 1.00 15.00 C ATOM 48 O LEU A 173 10.668 1.232 -1.738 1.00 15.00 O ATOM 49 CB LEU A 173 8.723 3.439 -1.596 1.00 15.00 C ATOM 50 CG LEU A 173 7.225 3.106 -1.676 1.00 15.00 C ATOM 51 CD1 LEU A 173 6.989 1.623 -1.923 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.509 3.556 -0.411 1.00 15.00 C ATOM 0 HA LEU A 173 8.823 2.781 0.448 1.00 15.00 H new ATOM 0 HB2 LEU A 173 8.831 4.523 -1.559 1.00 15.00 H new ATOM 0 HB3 LEU A 173 9.198 3.103 -2.518 1.00 15.00 H new ATOM 0 HG LEU A 173 6.813 3.651 -2.526 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.918 1.428 -1.973 1.00 15.00 H new ATOM 0 HD12 LEU A 173 7.455 1.332 -2.865 1.00 15.00 H new ATOM 0 HD13 LEU A 173 7.425 1.045 -1.109 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.449 3.312 -0.486 1.00 15.00 H new ATOM 0 HD22 LEU A 173 6.939 3.046 0.451 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.625 4.633 -0.291 1.00 15.00 H new ATOM 64 N PRO A 174 9.664 0.444 0.112 1.00 15.00 N ATOM 65 CA PRO A 174 10.058 -0.949 -0.114 1.00 15.00 C ATOM 66 C PRO A 174 9.578 -1.451 -1.478 1.00 15.00 C ATOM 67 O PRO A 174 8.425 -1.246 -1.852 1.00 15.00 O ATOM 68 CB PRO A 174 9.376 -1.705 1.030 1.00 15.00 C ATOM 69 CG PRO A 174 9.126 -0.681 2.080 1.00 15.00 C ATOM 70 CD PRO A 174 8.888 0.609 1.352 1.00 15.00 C ATOM 0 HA PRO A 174 11.139 -1.085 -0.125 1.00 15.00 H new ATOM 0 HB2 PRO A 174 8.445 -2.164 0.698 1.00 15.00 H new ATOM 0 HB3 PRO A 174 10.011 -2.507 1.406 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.263 -0.950 2.689 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.979 -0.597 2.754 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.829 0.766 1.146 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.231 1.467 1.930 1.00 15.00 H new ATOM 78 N ALA A 175 10.438 -2.173 -2.188 1.00 15.00 N ATOM 79 CA ALA A 175 10.201 -2.466 -3.600 1.00 15.00 C ATOM 80 C ALA A 175 9.412 -3.756 -3.786 1.00 15.00 C ATOM 81 O ALA A 175 9.325 -4.292 -4.890 1.00 15.00 O ATOM 82 CB ALA A 175 11.526 -2.548 -4.342 1.00 15.00 C ATOM 0 H ALA A 175 11.302 -2.565 -1.813 1.00 15.00 H new ATOM 0 HA ALA A 175 9.603 -1.654 -4.013 1.00 15.00 H new ATOM 0 HB1 ALA A 175 11.341 -2.767 -5.394 1.00 15.00 H new ATOM 0 HB2 ALA A 175 12.051 -1.596 -4.256 1.00 15.00 H new ATOM 0 HB3 ALA A 175 12.137 -3.340 -3.909 1.00 15.00 H new ATOM 88 N GLY A 176 8.824 -4.233 -2.703 1.00 15.00 N ATOM 89 CA GLY A 176 7.900 -5.346 -2.780 1.00 15.00 C ATOM 90 C GLY A 176 6.490 -4.878 -2.495 1.00 15.00 C ATOM 91 O GLY A 176 5.547 -5.674 -2.442 1.00 15.00 O ATOM 0 H GLY A 176 8.971 -3.867 -1.762 1.00 15.00 H new ATOM 0 HA2 GLY A 176 7.947 -5.799 -3.770 1.00 15.00 H new ATOM 0 HA3 GLY A 176 8.187 -6.116 -2.064 1.00 15.00 H new ATOM 95 N TRP A 177 6.355 -3.566 -2.327 1.00 15.00 N ATOM 96 CA TRP A 177 5.113 -2.962 -1.876 1.00 15.00 C ATOM 97 C TRP A 177 4.514 -2.078 -2.973 1.00 15.00 C ATOM 98 O TRP A 177 5.221 -1.330 -3.645 1.00 15.00 O ATOM 99 CB TRP A 177 5.363 -2.161 -0.588 1.00 15.00 C ATOM 100 CG TRP A 177 5.911 -2.999 0.543 1.00 15.00 C ATOM 101 CD1 TRP A 177 7.058 -3.737 0.534 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.346 -3.172 1.851 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.236 -4.363 1.739 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.202 -4.035 2.563 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.205 -2.688 2.487 1.00 15.00 C ATOM 106 CZ2 TRP A 177 5.953 -4.422 3.873 1.00 15.00 C ATOM 107 CZ3 TRP A 177 3.956 -3.072 3.790 1.00 15.00 C ATOM 108 CH2 TRP A 177 4.827 -3.932 4.471 1.00 15.00 C ATOM 0 H TRP A 177 7.104 -2.896 -2.500 1.00 15.00 H new ATOM 0 HA TRP A 177 4.391 -3.749 -1.658 1.00 15.00 H new ATOM 0 HB2 TRP A 177 6.061 -1.352 -0.802 1.00 15.00 H new ATOM 0 HB3 TRP A 177 4.428 -1.700 -0.269 1.00 15.00 H new ATOM 0 HD1 TRP A 177 7.732 -3.817 -0.306 1.00 15.00 H new ATOM 0 HE1 TRP A 177 8.016 -4.975 1.980 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.527 -2.024 1.970 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 6.624 -5.085 4.399 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.074 -2.703 4.293 1.00 15.00 H new ATOM 0 HH2 TRP A 177 4.604 -4.213 5.490 1.00 15.00 H new ATOM 119 N GLU A 178 3.204 -2.180 -3.128 1.00 15.00 N ATOM 120 CA GLU A 178 2.470 -1.501 -4.183 1.00 15.00 C ATOM 121 C GLU A 178 1.869 -0.195 -3.670 1.00 15.00 C ATOM 122 O GLU A 178 1.310 -0.156 -2.572 1.00 15.00 O ATOM 123 CB GLU A 178 1.356 -2.428 -4.684 1.00 15.00 C ATOM 124 CG GLU A 178 0.546 -1.854 -5.831 1.00 15.00 C ATOM 125 CD GLU A 178 1.403 -1.571 -7.045 1.00 15.00 C ATOM 126 OE1 GLU A 178 1.710 -2.523 -7.791 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 1.790 -0.405 -7.249 1.00 15.00 O ATOM 0 H GLU A 178 2.613 -2.744 -2.517 1.00 15.00 H new ATOM 0 HA GLU A 178 3.152 -1.261 -4.998 1.00 15.00 H new ATOM 0 HB2 GLU A 178 1.798 -3.372 -5.002 1.00 15.00 H new ATOM 0 HB3 GLU A 178 0.685 -2.653 -3.855 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -0.246 -2.553 -6.101 1.00 15.00 H new ATOM 0 HG3 GLU A 178 0.061 -0.933 -5.507 1.00 15.00 H new ATOM 134 N MET A 179 1.945 0.855 -4.481 1.00 15.00 N ATOM 135 CA MET A 179 1.410 2.152 -4.087 1.00 15.00 C ATOM 136 C MET A 179 -0.043 2.271 -4.507 1.00 15.00 C ATOM 137 O MET A 179 -0.344 2.460 -5.687 1.00 15.00 O ATOM 138 CB MET A 179 2.180 3.312 -4.719 1.00 15.00 C ATOM 139 CG MET A 179 3.666 3.322 -4.440 1.00 15.00 C ATOM 140 SD MET A 179 4.046 3.715 -2.729 1.00 15.00 S ATOM 141 CE MET A 179 3.516 5.425 -2.643 1.00 15.00 C ATOM 0 H MET A 179 2.369 0.834 -5.409 1.00 15.00 H new ATOM 0 HA MET A 179 1.508 2.212 -3.003 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.029 3.283 -5.798 1.00 15.00 H new ATOM 0 HB3 MET A 179 1.753 4.249 -4.362 1.00 15.00 H new ATOM 0 HG2 MET A 179 4.085 2.346 -4.686 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.149 4.050 -5.092 1.00 15.00 H new ATOM 0 HE1 MET A 179 4.110 5.953 -1.897 1.00 15.00 H new ATOM 0 HE2 MET A 179 3.652 5.897 -3.616 1.00 15.00 H new ATOM 0 HE3 MET A 179 2.463 5.466 -2.364 1.00 15.00 H new ATOM 151 N ALA A 180 -0.942 2.132 -3.559 1.00 15.00 N ATOM 152 CA ALA A 180 -2.341 2.385 -3.821 1.00 15.00 C ATOM 153 C ALA A 180 -2.727 3.731 -3.231 1.00 15.00 C ATOM 154 O ALA A 180 -3.074 3.836 -2.054 1.00 15.00 O ATOM 155 CB ALA A 180 -3.203 1.267 -3.273 1.00 15.00 C ATOM 0 H ALA A 180 -0.731 1.846 -2.603 1.00 15.00 H new ATOM 0 HA ALA A 180 -2.508 2.417 -4.898 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -4.251 1.480 -3.482 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.922 0.326 -3.746 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -3.057 1.189 -2.196 1.00 15.00 H new ATOM 161 N LYS A 181 -2.617 4.761 -4.054 1.00 15.00 N ATOM 162 CA LYS A 181 -2.840 6.128 -3.617 1.00 15.00 C ATOM 163 C LYS A 181 -4.165 6.655 -4.162 1.00 15.00 C ATOM 164 O LYS A 181 -4.282 6.931 -5.355 1.00 15.00 O ATOM 165 CB LYS A 181 -1.684 7.025 -4.092 1.00 15.00 C ATOM 166 CG LYS A 181 -0.302 6.577 -3.622 1.00 15.00 C ATOM 167 CD LYS A 181 0.794 7.506 -4.131 1.00 15.00 C ATOM 168 CE LYS A 181 0.966 7.403 -5.642 1.00 15.00 C ATOM 169 NZ LYS A 181 2.060 8.282 -6.140 1.00 15.00 N1+ ATOM 0 H LYS A 181 -2.372 4.673 -5.040 1.00 15.00 H new ATOM 0 HA LYS A 181 -2.882 6.143 -2.528 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -1.690 7.058 -5.181 1.00 15.00 H new ATOM 0 HB3 LYS A 181 -1.862 8.042 -3.741 1.00 15.00 H new ATOM 0 HG2 LYS A 181 -0.279 6.550 -2.533 1.00 15.00 H new ATOM 0 HG3 LYS A 181 -0.110 5.562 -3.971 1.00 15.00 H new ATOM 0 HD2 LYS A 181 0.553 8.534 -3.862 1.00 15.00 H new ATOM 0 HD3 LYS A 181 1.736 7.260 -3.640 1.00 15.00 H new ATOM 0 HE2 LYS A 181 1.180 6.369 -5.913 1.00 15.00 H new ATOM 0 HE3 LYS A 181 0.031 7.674 -6.133 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 2.143 8.182 -7.172 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 1.844 9.272 -5.905 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 2.957 8.007 -5.692 1.00 15.00 H new ATOM 183 N THR A 182 -5.169 6.765 -3.301 1.00 15.00 N ATOM 184 CA THR A 182 -6.451 7.310 -3.716 1.00 15.00 C ATOM 185 C THR A 182 -6.488 8.811 -3.467 1.00 15.00 C ATOM 186 O THR A 182 -5.985 9.290 -2.443 1.00 15.00 O ATOM 187 CB THR A 182 -7.640 6.655 -2.981 1.00 15.00 C ATOM 188 OG1 THR A 182 -7.530 6.868 -1.572 1.00 15.00 O ATOM 189 CG2 THR A 182 -7.715 5.166 -3.266 1.00 15.00 C ATOM 0 H THR A 182 -5.120 6.487 -2.321 1.00 15.00 H new ATOM 0 HA THR A 182 -6.552 7.095 -4.780 1.00 15.00 H new ATOM 0 HB THR A 182 -8.553 7.122 -3.350 1.00 15.00 H new ATOM 0 HG1 THR A 182 -8.378 7.217 -1.227 1.00 15.00 H new ATOM 0 HG21 THR A 182 -8.563 4.736 -2.733 1.00 15.00 H new ATOM 0 HG22 THR A 182 -7.840 5.006 -4.337 1.00 15.00 H new ATOM 0 HG23 THR A 182 -6.795 4.685 -2.933 1.00 15.00 H new ATOM 197 N SER A 183 -7.102 9.544 -4.394 1.00 15.00 N ATOM 198 CA SER A 183 -7.200 10.997 -4.302 1.00 15.00 C ATOM 199 C SER A 183 -8.002 11.421 -3.070 1.00 15.00 C ATOM 200 O SER A 183 -7.979 12.585 -2.671 1.00 15.00 O ATOM 201 CB SER A 183 -7.836 11.568 -5.573 1.00 15.00 C ATOM 202 OG SER A 183 -7.843 12.988 -5.561 1.00 15.00 O ATOM 0 H SER A 183 -7.543 9.149 -5.225 1.00 15.00 H new ATOM 0 HA SER A 183 -6.191 11.397 -4.201 1.00 15.00 H new ATOM 0 HB2 SER A 183 -7.288 11.214 -6.446 1.00 15.00 H new ATOM 0 HB3 SER A 183 -8.857 11.199 -5.667 1.00 15.00 H new ATOM 0 HG SER A 183 -7.745 13.308 -4.640 1.00 15.00 H new ATOM 208 N SER A 184 -8.723 10.476 -2.481 1.00 15.00 N ATOM 209 CA SER A 184 -9.468 10.739 -1.264 1.00 15.00 C ATOM 210 C SER A 184 -8.519 10.881 -0.074 1.00 15.00 C ATOM 211 O SER A 184 -8.907 11.359 0.992 1.00 15.00 O ATOM 212 CB SER A 184 -10.473 9.616 -1.018 1.00 15.00 C ATOM 213 OG SER A 184 -11.263 9.388 -2.173 1.00 15.00 O ATOM 0 H SER A 184 -8.806 9.521 -2.829 1.00 15.00 H new ATOM 0 HA SER A 184 -10.010 11.677 -1.379 1.00 15.00 H new ATOM 0 HB2 SER A 184 -9.945 8.702 -0.746 1.00 15.00 H new ATOM 0 HB3 SER A 184 -11.116 9.875 -0.177 1.00 15.00 H new ATOM 0 HG SER A 184 -11.899 8.664 -1.996 1.00 15.00 H new ATOM 219 N GLY A 185 -7.274 10.450 -0.265 1.00 15.00 N ATOM 220 CA GLY A 185 -6.272 10.593 0.768 1.00 15.00 C ATOM 221 C GLY A 185 -5.911 9.280 1.431 1.00 15.00 C ATOM 222 O GLY A 185 -5.477 9.264 2.581 1.00 15.00 O ATOM 0 H GLY A 185 -6.945 10.004 -1.121 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -5.374 11.034 0.336 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -6.636 11.288 1.525 1.00 15.00 H new ATOM 226 N GLN A 186 -6.083 8.172 0.719 1.00 15.00 N ATOM 227 CA GLN A 186 -5.734 6.870 1.273 1.00 15.00 C ATOM 228 C GLN A 186 -4.500 6.320 0.580 1.00 15.00 C ATOM 229 O GLN A 186 -4.516 6.065 -0.623 1.00 15.00 O ATOM 230 CB GLN A 186 -6.881 5.851 1.152 1.00 15.00 C ATOM 231 CG GLN A 186 -8.087 6.137 2.037 1.00 15.00 C ATOM 232 CD GLN A 186 -9.037 7.156 1.443 1.00 15.00 C ATOM 233 OE1 GLN A 186 -8.906 8.355 1.671 1.00 15.00 O ATOM 234 NE2 GLN A 186 -10.011 6.682 0.682 1.00 15.00 N ATOM 0 H GLN A 186 -6.457 8.148 -0.230 1.00 15.00 H new ATOM 0 HA GLN A 186 -5.535 7.022 2.334 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -7.210 5.818 0.113 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -6.496 4.861 1.396 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -8.627 5.207 2.215 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -7.741 6.495 3.007 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -10.086 5.678 0.516 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -10.686 7.320 0.261 1.00 15.00 H new ATOM 243 N ARG A 187 -3.431 6.161 1.341 1.00 15.00 N ATOM 244 CA ARG A 187 -2.213 5.562 0.827 1.00 15.00 C ATOM 245 C ARG A 187 -1.938 4.235 1.532 1.00 15.00 C ATOM 246 O ARG A 187 -1.364 4.206 2.620 1.00 15.00 O ATOM 247 CB ARG A 187 -1.018 6.512 0.980 1.00 15.00 C ATOM 248 CG ARG A 187 -0.932 7.184 2.343 1.00 15.00 C ATOM 249 CD ARG A 187 0.355 7.976 2.497 1.00 15.00 C ATOM 250 NE ARG A 187 1.529 7.109 2.615 1.00 15.00 N ATOM 251 CZ ARG A 187 2.777 7.503 2.353 1.00 15.00 C ATOM 252 NH1 ARG A 187 3.008 8.721 1.880 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 3.794 6.674 2.551 1.00 15.00 N ATOM 0 H ARG A 187 -3.383 6.440 2.321 1.00 15.00 H new ATOM 0 HA ARG A 187 -2.352 5.372 -0.237 1.00 15.00 H new ATOM 0 HB2 ARG A 187 -0.098 5.954 0.803 1.00 15.00 H new ATOM 0 HB3 ARG A 187 -1.078 7.281 0.210 1.00 15.00 H new ATOM 0 HG2 ARG A 187 -1.786 7.848 2.476 1.00 15.00 H new ATOM 0 HG3 ARG A 187 -0.990 6.428 3.126 1.00 15.00 H new ATOM 0 HD2 ARG A 187 0.478 8.636 1.638 1.00 15.00 H new ATOM 0 HD3 ARG A 187 0.285 8.611 3.380 1.00 15.00 H new ATOM 0 HE ARG A 187 1.384 6.145 2.916 1.00 15.00 H new ATOM 0 HH11 ARG A 187 2.230 9.360 1.715 1.00 15.00 H new ATOM 0 HH12 ARG A 187 3.963 9.018 1.681 1.00 15.00 H new ATOM 0 HH21 ARG A 187 3.623 5.733 2.904 1.00 15.00 H new ATOM 0 HH22 ARG A 187 4.747 6.978 2.350 1.00 15.00 H new ATOM 267 N TYR A 188 -2.401 3.147 0.934 1.00 15.00 N ATOM 268 CA TYR A 188 -2.221 1.826 1.515 1.00 15.00 C ATOM 269 C TYR A 188 -1.340 0.977 0.610 1.00 15.00 C ATOM 270 O TYR A 188 -1.491 0.991 -0.612 1.00 15.00 O ATOM 271 CB TYR A 188 -3.584 1.149 1.765 1.00 15.00 C ATOM 272 CG TYR A 188 -4.514 1.126 0.568 1.00 15.00 C ATOM 273 CD1 TYR A 188 -5.276 2.240 0.232 1.00 15.00 C ATOM 274 CD2 TYR A 188 -4.633 -0.010 -0.222 1.00 15.00 C ATOM 275 CE1 TYR A 188 -6.127 2.222 -0.856 1.00 15.00 C ATOM 276 CE2 TYR A 188 -5.482 -0.037 -1.312 1.00 15.00 C ATOM 277 CZ TYR A 188 -6.226 1.082 -1.626 1.00 15.00 C ATOM 278 OH TYR A 188 -7.068 1.062 -2.714 1.00 15.00 O ATOM 0 H TYR A 188 -2.904 3.154 0.047 1.00 15.00 H new ATOM 0 HA TYR A 188 -1.724 1.929 2.480 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -3.410 0.124 2.091 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -4.084 1.664 2.585 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -5.201 3.135 0.832 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.052 -0.888 0.020 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -6.712 3.096 -1.102 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.563 -0.929 -1.915 1.00 15.00 H new ATOM 0 HH TYR A 188 -7.020 0.185 -3.149 1.00 15.00 H new ATOM 288 N PHE A 189 -0.428 0.237 1.213 1.00 15.00 N ATOM 289 CA PHE A 189 0.563 -0.508 0.456 1.00 15.00 C ATOM 290 C PHE A 189 0.240 -1.996 0.438 1.00 15.00 C ATOM 291 O PHE A 189 -0.052 -2.601 1.469 1.00 15.00 O ATOM 292 CB PHE A 189 1.963 -0.285 1.037 1.00 15.00 C ATOM 293 CG PHE A 189 2.415 1.150 1.013 1.00 15.00 C ATOM 294 CD1 PHE A 189 2.024 1.994 -0.015 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.222 1.660 2.022 1.00 15.00 C ATOM 296 CE1 PHE A 189 2.430 3.312 -0.040 1.00 15.00 C ATOM 297 CE2 PHE A 189 3.627 2.979 2.001 1.00 15.00 C ATOM 298 CZ PHE A 189 3.232 3.806 0.969 1.00 15.00 C ATOM 0 H PHE A 189 -0.352 0.135 2.225 1.00 15.00 H new ATOM 0 HA PHE A 189 0.541 -0.140 -0.570 1.00 15.00 H new ATOM 0 HB2 PHE A 189 1.979 -0.643 2.066 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.677 -0.889 0.478 1.00 15.00 H new ATOM 0 HD1 PHE A 189 1.394 1.615 -0.806 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.536 1.018 2.831 1.00 15.00 H new ATOM 0 HE1 PHE A 189 2.120 3.957 -0.849 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.253 3.364 2.792 1.00 15.00 H new ATOM 0 HZ PHE A 189 3.550 4.838 0.951 1.00 15.00 H new ATOM 308 N LEU A 190 0.305 -2.576 -0.748 1.00 15.00 N ATOM 309 CA LEU A 190 0.165 -4.017 -0.911 1.00 15.00 C ATOM 310 C LEU A 190 1.521 -4.700 -0.825 1.00 15.00 C ATOM 311 O LEU A 190 2.490 -4.206 -1.368 1.00 15.00 O ATOM 312 CB LEU A 190 -0.427 -4.356 -2.283 1.00 15.00 C ATOM 313 CG LEU A 190 -1.946 -4.459 -2.377 1.00 15.00 C ATOM 314 CD1 LEU A 190 -2.310 -5.388 -3.527 1.00 15.00 C ATOM 315 CD2 LEU A 190 -2.543 -4.962 -1.077 1.00 15.00 C ATOM 0 H LEU A 190 0.455 -2.068 -1.620 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.493 -4.366 -0.115 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -0.095 -3.598 -2.992 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -0.003 -5.305 -2.610 1.00 15.00 H new ATOM 0 HG LEU A 190 -2.358 -3.467 -2.563 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -3.395 -5.467 -3.601 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -1.911 -4.987 -4.459 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -1.886 -6.375 -3.345 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -3.627 -5.025 -1.175 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.141 -5.950 -0.850 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.291 -4.274 -0.270 1.00 15.00 H new ATOM 327 N ASN A 191 1.599 -5.847 -0.179 1.00 15.00 N ATOM 328 CA ASN A 191 2.784 -6.674 -0.340 1.00 15.00 C ATOM 329 C ASN A 191 2.528 -7.599 -1.508 1.00 15.00 C ATOM 330 O ASN A 191 1.682 -8.483 -1.407 1.00 15.00 O ATOM 331 CB ASN A 191 3.120 -7.515 0.897 1.00 15.00 C ATOM 332 CG ASN A 191 3.433 -6.705 2.143 1.00 15.00 C ATOM 333 OD1 ASN A 191 4.281 -7.092 2.942 1.00 15.00 O ATOM 334 ND2 ASN A 191 2.732 -5.602 2.344 1.00 15.00 N ATOM 0 H ASN A 191 0.883 -6.221 0.443 1.00 15.00 H new ATOM 0 HA ASN A 191 3.637 -6.015 -0.502 1.00 15.00 H new ATOM 0 HB2 ASN A 191 2.280 -8.176 1.110 1.00 15.00 H new ATOM 0 HB3 ASN A 191 3.976 -8.150 0.667 1.00 15.00 H new ATOM 0 HD21 ASN A 191 2.888 -5.044 3.184 1.00 15.00 H new ATOM 0 HD22 ASN A 191 2.035 -5.309 1.660 1.00 15.00 H new ATOM 341 N HIS A 192 3.228 -7.378 -2.620 1.00 15.00 N ATOM 342 CA HIS A 192 3.011 -8.169 -3.836 1.00 15.00 C ATOM 343 C HIS A 192 3.484 -9.601 -3.655 1.00 15.00 C ATOM 344 O HIS A 192 3.149 -10.482 -4.446 1.00 15.00 O ATOM 345 CB HIS A 192 3.727 -7.551 -5.042 1.00 15.00 C ATOM 346 CG HIS A 192 2.860 -6.656 -5.875 1.00 15.00 C ATOM 347 ND1 HIS A 192 1.906 -7.136 -6.745 1.00 15.00 N ATOM 348 CD2 HIS A 192 2.811 -5.307 -5.974 1.00 15.00 C ATOM 349 CE1 HIS A 192 1.308 -6.121 -7.343 1.00 15.00 C ATOM 350 NE2 HIS A 192 1.838 -5.001 -6.892 1.00 15.00 N ATOM 0 H HIS A 192 3.948 -6.661 -2.707 1.00 15.00 H new ATOM 0 HA HIS A 192 1.937 -8.169 -4.023 1.00 15.00 H new ATOM 0 HB2 HIS A 192 4.586 -6.981 -4.688 1.00 15.00 H new ATOM 0 HB3 HIS A 192 4.114 -8.352 -5.671 1.00 15.00 H new ATOM 0 HD2 HIS A 192 3.424 -4.602 -5.431 1.00 15.00 H new ATOM 0 HE1 HIS A 192 0.519 -6.196 -8.077 1.00 15.00 H new ATOM 0 HE2 HIS A 192 1.569 -4.060 -7.179 1.00 15.00 H new ATOM 359 N ILE A 193 4.276 -9.820 -2.625 1.00 15.00 N ATOM 360 CA ILE A 193 4.836 -11.132 -2.362 1.00 15.00 C ATOM 361 C ILE A 193 3.914 -11.944 -1.461 1.00 15.00 C ATOM 362 O ILE A 193 3.727 -13.143 -1.660 1.00 15.00 O ATOM 363 CB ILE A 193 6.238 -11.032 -1.712 1.00 15.00 C ATOM 364 CG1 ILE A 193 6.731 -9.576 -1.681 1.00 15.00 C ATOM 365 CG2 ILE A 193 7.225 -11.907 -2.469 1.00 15.00 C ATOM 366 CD1 ILE A 193 6.397 -8.838 -0.403 1.00 15.00 C ATOM 0 H ILE A 193 4.548 -9.103 -1.953 1.00 15.00 H new ATOM 0 HA ILE A 193 4.935 -11.637 -3.323 1.00 15.00 H new ATOM 0 HB ILE A 193 6.164 -11.384 -0.683 1.00 15.00 H new ATOM 0 HG12 ILE A 193 7.812 -9.567 -1.822 1.00 15.00 H new ATOM 0 HG13 ILE A 193 6.295 -9.038 -2.523 1.00 15.00 H new ATOM 0 HG21 ILE A 193 8.209 -11.831 -2.005 1.00 15.00 H new ATOM 0 HG22 ILE A 193 6.889 -12.944 -2.440 1.00 15.00 H new ATOM 0 HG23 ILE A 193 7.286 -11.574 -3.505 1.00 15.00 H new ATOM 0 HD11 ILE A 193 6.779 -7.819 -0.461 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.316 -8.813 -0.269 1.00 15.00 H new ATOM 0 HD13 ILE A 193 6.856 -9.350 0.443 1.00 15.00 H new ATOM 378 N ASP A 194 3.330 -11.275 -0.478 1.00 15.00 N ATOM 379 CA ASP A 194 2.472 -11.936 0.496 1.00 15.00 C ATOM 380 C ASP A 194 0.992 -11.735 0.170 1.00 15.00 C ATOM 381 O ASP A 194 0.136 -12.415 0.735 1.00 15.00 O ATOM 382 CB ASP A 194 2.780 -11.429 1.908 1.00 15.00 C ATOM 383 CG ASP A 194 4.162 -11.844 2.388 1.00 15.00 C ATOM 384 OD1 ASP A 194 5.164 -11.270 1.906 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.252 -12.747 3.243 1.00 15.00 O ATOM 0 H ASP A 194 3.435 -10.271 -0.333 1.00 15.00 H new ATOM 0 HA ASP A 194 2.680 -13.005 0.449 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.705 -10.342 1.924 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.029 -11.811 2.599 1.00 15.00 H new ATOM 390 N GLN A 195 0.704 -10.778 -0.723 1.00 15.00 N ATOM 391 CA GLN A 195 -0.671 -10.438 -1.118 1.00 15.00 C ATOM 392 C GLN A 195 -1.398 -9.812 0.069 1.00 15.00 C ATOM 393 O GLN A 195 -2.622 -9.897 0.196 1.00 15.00 O ATOM 394 CB GLN A 195 -1.411 -11.688 -1.611 1.00 15.00 C ATOM 395 CG GLN A 195 -2.655 -11.385 -2.429 1.00 15.00 C ATOM 396 CD GLN A 195 -3.530 -12.603 -2.618 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.435 -12.859 -1.824 1.00 15.00 O ATOM 398 NE2 GLN A 195 -3.266 -13.369 -3.661 1.00 15.00 N ATOM 0 H GLN A 195 1.416 -10.218 -1.192 1.00 15.00 H new ATOM 0 HA GLN A 195 -0.644 -9.719 -1.937 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -0.729 -12.288 -2.214 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -1.693 -12.294 -0.750 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -3.229 -10.601 -1.935 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -2.360 -10.998 -3.404 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -2.507 -13.122 -4.296 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -3.821 -14.207 -3.832 1.00 15.00 H new ATOM 407 N THR A 196 -0.639 -9.120 0.903 1.00 15.00 N ATOM 408 CA THR A 196 -1.178 -8.585 2.148 1.00 15.00 C ATOM 409 C THR A 196 -1.493 -7.095 2.041 1.00 15.00 C ATOM 410 O THR A 196 -0.825 -6.355 1.313 1.00 15.00 O ATOM 411 CB THR A 196 -0.216 -8.836 3.323 1.00 15.00 C ATOM 412 OG1 THR A 196 1.132 -8.589 2.913 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.344 -10.264 3.833 1.00 15.00 C ATOM 0 H THR A 196 0.347 -8.915 0.744 1.00 15.00 H new ATOM 0 HA THR A 196 -2.112 -9.114 2.338 1.00 15.00 H new ATOM 0 HB THR A 196 -0.480 -8.154 4.132 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.738 -8.749 3.667 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.346 -10.417 4.663 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.365 -10.439 4.172 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.105 -10.960 3.029 1.00 15.00 H new ATOM 421 N THR A 197 -2.521 -6.672 2.769 1.00 15.00 N ATOM 422 CA THR A 197 -2.993 -5.296 2.735 1.00 15.00 C ATOM 423 C THR A 197 -2.503 -4.510 3.955 1.00 15.00 C ATOM 424 O THR A 197 -2.898 -4.796 5.089 1.00 15.00 O ATOM 425 CB THR A 197 -4.536 -5.258 2.680 1.00 15.00 C ATOM 426 OG1 THR A 197 -5.088 -6.213 3.600 1.00 15.00 O ATOM 427 CG2 THR A 197 -5.042 -5.557 1.279 1.00 15.00 C ATOM 0 H THR A 197 -3.050 -7.275 3.399 1.00 15.00 H new ATOM 0 HA THR A 197 -2.587 -4.829 1.838 1.00 15.00 H new ATOM 0 HB THR A 197 -4.855 -4.254 2.959 1.00 15.00 H new ATOM 0 HG1 THR A 197 -4.603 -6.166 4.450 1.00 15.00 H new ATOM 0 HG21 THR A 197 -6.131 -5.523 1.271 1.00 15.00 H new ATOM 0 HG22 THR A 197 -4.651 -4.814 0.584 1.00 15.00 H new ATOM 0 HG23 THR A 197 -4.707 -6.549 0.975 1.00 15.00 H new ATOM 435 N THR A 198 -1.647 -3.524 3.715 1.00 15.00 N ATOM 436 CA THR A 198 -1.062 -2.729 4.787 1.00 15.00 C ATOM 437 C THR A 198 -1.550 -1.270 4.727 1.00 15.00 C ATOM 438 O THR A 198 -1.478 -0.634 3.675 1.00 15.00 O ATOM 439 CB THR A 198 0.475 -2.765 4.679 1.00 15.00 C ATOM 440 OG1 THR A 198 0.928 -4.125 4.680 1.00 15.00 O ATOM 441 CG2 THR A 198 1.133 -2.011 5.823 1.00 15.00 C ATOM 0 H THR A 198 -1.341 -3.255 2.780 1.00 15.00 H new ATOM 0 HA THR A 198 -1.376 -3.156 5.739 1.00 15.00 H new ATOM 0 HB THR A 198 0.757 -2.278 3.745 1.00 15.00 H new ATOM 0 HG1 THR A 198 1.744 -4.198 5.218 1.00 15.00 H new ATOM 0 HG21 THR A 198 2.217 -2.058 5.714 1.00 15.00 H new ATOM 0 HG22 THR A 198 0.811 -0.970 5.805 1.00 15.00 H new ATOM 0 HG23 THR A 198 0.844 -2.464 6.771 1.00 15.00 H new ATOM 449 N TRP A 199 -2.055 -0.745 5.847 1.00 15.00 N ATOM 450 CA TRP A 199 -2.520 0.641 5.901 1.00 15.00 C ATOM 451 C TRP A 199 -1.418 1.586 6.368 1.00 15.00 C ATOM 452 O TRP A 199 -1.344 2.735 5.932 1.00 15.00 O ATOM 453 CB TRP A 199 -3.718 0.786 6.843 1.00 15.00 C ATOM 454 CG TRP A 199 -5.031 0.398 6.241 1.00 15.00 C ATOM 455 CD1 TRP A 199 -5.736 -0.747 6.472 1.00 15.00 C ATOM 456 CD2 TRP A 199 -5.806 1.169 5.318 1.00 15.00 C ATOM 457 NE1 TRP A 199 -6.904 -0.731 5.757 1.00 15.00 N ATOM 458 CE2 TRP A 199 -6.968 0.433 5.036 1.00 15.00 C ATOM 459 CE3 TRP A 199 -5.628 2.412 4.703 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -7.950 0.898 4.168 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -6.604 2.872 3.841 1.00 15.00 C ATOM 462 CH2 TRP A 199 -7.751 2.115 3.579 1.00 15.00 C ATOM 0 H TRP A 199 -2.151 -1.257 6.724 1.00 15.00 H new ATOM 0 HA TRP A 199 -2.816 0.908 4.887 1.00 15.00 H new ATOM 0 HB2 TRP A 199 -3.544 0.175 7.728 1.00 15.00 H new ATOM 0 HB3 TRP A 199 -3.778 1.822 7.177 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -5.419 -1.548 7.123 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -7.611 -1.466 5.760 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -4.744 3.001 4.898 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -8.838 0.318 3.967 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -6.480 3.832 3.361 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -8.495 2.500 2.897 1.00 15.00 H new ATOM 473 N GLN A 200 -0.591 1.114 7.285 1.00 15.00 N ATOM 474 CA GLN A 200 0.450 1.946 7.867 1.00 15.00 C ATOM 475 C GLN A 200 1.749 1.794 7.101 1.00 15.00 C ATOM 476 O GLN A 200 2.162 0.679 6.794 1.00 15.00 O ATOM 477 CB GLN A 200 0.677 1.571 9.331 1.00 15.00 C ATOM 478 CG GLN A 200 -0.517 1.844 10.229 1.00 15.00 C ATOM 479 CD GLN A 200 -0.224 1.548 11.690 1.00 15.00 C ATOM 480 OE1 GLN A 200 -0.777 2.182 12.587 1.00 15.00 O ATOM 481 NE2 GLN A 200 0.643 0.579 11.941 1.00 15.00 N ATOM 0 H GLN A 200 -0.619 0.159 7.643 1.00 15.00 H new ATOM 0 HA GLN A 200 0.122 2.984 7.808 1.00 15.00 H new ATOM 0 HB2 GLN A 200 0.929 0.512 9.390 1.00 15.00 H new ATOM 0 HB3 GLN A 200 1.537 2.124 9.708 1.00 15.00 H new ATOM 0 HG2 GLN A 200 -0.815 2.887 10.125 1.00 15.00 H new ATOM 0 HG3 GLN A 200 -1.361 1.238 9.901 1.00 15.00 H new ATOM 0 HE21 GLN A 200 1.082 0.075 11.170 1.00 15.00 H new ATOM 0 HE22 GLN A 200 0.872 0.337 12.905 1.00 15.00 H new ATOM 490 N ASP A 201 2.395 2.917 6.809 1.00 15.00 N ATOM 491 CA ASP A 201 3.694 2.900 6.150 1.00 15.00 C ATOM 492 C ASP A 201 4.675 2.079 6.978 1.00 15.00 C ATOM 493 O ASP A 201 5.010 2.452 8.104 1.00 15.00 O ATOM 494 CB ASP A 201 4.230 4.320 5.964 1.00 15.00 C ATOM 495 CG ASP A 201 5.498 4.356 5.132 1.00 15.00 C ATOM 496 OD1 ASP A 201 6.581 4.026 5.664 1.00 15.00 O ATOM 497 OD2 ASP A 201 5.415 4.732 3.945 1.00 15.00 O1- ATOM 0 H ASP A 201 2.040 3.850 7.018 1.00 15.00 H new ATOM 0 HA ASP A 201 3.578 2.448 5.165 1.00 15.00 H new ATOM 0 HB2 ASP A 201 3.467 4.933 5.485 1.00 15.00 H new ATOM 0 HB3 ASP A 201 4.427 4.762 6.941 1.00 15.00 H new ATOM 502 N PRO A 202 5.135 0.945 6.430 1.00 15.00 N ATOM 503 CA PRO A 202 5.960 -0.025 7.161 1.00 15.00 C ATOM 504 C PRO A 202 7.243 0.568 7.729 1.00 15.00 C ATOM 505 O PRO A 202 7.819 0.031 8.672 1.00 15.00 O ATOM 506 CB PRO A 202 6.297 -1.094 6.110 1.00 15.00 C ATOM 507 CG PRO A 202 5.982 -0.470 4.791 1.00 15.00 C ATOM 508 CD PRO A 202 4.877 0.511 5.052 1.00 15.00 C ATOM 0 HA PRO A 202 5.423 -0.405 8.030 1.00 15.00 H new ATOM 0 HB2 PRO A 202 7.346 -1.383 6.167 1.00 15.00 H new ATOM 0 HB3 PRO A 202 5.709 -1.998 6.267 1.00 15.00 H new ATOM 0 HG2 PRO A 202 6.858 0.030 4.376 1.00 15.00 H new ATOM 0 HG3 PRO A 202 5.672 -1.223 4.067 1.00 15.00 H new ATOM 0 HD2 PRO A 202 4.907 1.347 4.354 1.00 15.00 H new ATOM 0 HD3 PRO A 202 3.895 0.048 4.952 1.00 15.00 H new ATOM 601 N TYR B 203 -4.505 -2.348 -9.586 1.00 15.00 N ATOM 602 CA TYR B 203 -4.979 -1.539 -8.475 1.00 15.00 C ATOM 603 C TYR B 203 -6.107 -2.254 -7.739 1.00 15.00 C ATOM 604 O TYR B 203 -7.119 -2.618 -8.341 1.00 15.00 O ATOM 605 CB TYR B 203 -5.459 -0.181 -8.988 1.00 15.00 C ATOM 606 CG TYR B 203 -5.496 0.888 -7.925 1.00 15.00 C ATOM 607 CD1 TYR B 203 -4.364 1.638 -7.640 1.00 15.00 C ATOM 608 CD2 TYR B 203 -6.653 1.144 -7.200 1.00 15.00 C ATOM 609 CE1 TYR B 203 -4.382 2.614 -6.667 1.00 15.00 C ATOM 610 CE2 TYR B 203 -6.680 2.120 -6.226 1.00 15.00 C ATOM 611 CZ TYR B 203 -5.541 2.850 -5.961 1.00 15.00 C ATOM 612 OH TYR B 203 -5.560 3.817 -4.990 1.00 15.00 O ATOM 0 HA TYR B 203 -4.156 -1.384 -7.777 1.00 15.00 H new ATOM 0 HB2 TYR B 203 -4.804 0.145 -9.796 1.00 15.00 H new ATOM 0 HB3 TYR B 203 -6.457 -0.294 -9.412 1.00 15.00 H new ATOM 0 HD1 TYR B 203 -3.453 1.454 -8.190 1.00 15.00 H new ATOM 0 HD2 TYR B 203 -7.545 0.570 -7.402 1.00 15.00 H new ATOM 0 HE1 TYR B 203 -3.493 3.190 -6.459 1.00 15.00 H new ATOM 0 HE2 TYR B 203 -7.588 2.311 -5.674 1.00 15.00 H new ATOM 0 HH TYR B 203 -5.468 3.398 -4.109 1.00 15.00 H new ATOM 622 N PRO B 204 -5.941 -2.469 -6.428 1.00 15.00 N ATOM 623 CA PRO B 204 -6.933 -3.156 -5.597 1.00 15.00 C ATOM 624 C PRO B 204 -8.032 -2.218 -5.088 1.00 15.00 C ATOM 625 O PRO B 204 -8.308 -1.178 -5.684 1.00 15.00 O ATOM 626 CB PRO B 204 -6.083 -3.648 -4.430 1.00 15.00 C ATOM 627 CG PRO B 204 -5.072 -2.566 -4.253 1.00 15.00 C ATOM 628 CD PRO B 204 -4.759 -2.064 -5.639 1.00 15.00 C ATOM 0 HA PRO B 204 -7.465 -3.936 -6.142 1.00 15.00 H new ATOM 0 HB2 PRO B 204 -6.681 -3.789 -3.530 1.00 15.00 H new ATOM 0 HB3 PRO B 204 -5.611 -4.605 -4.653 1.00 15.00 H new ATOM 0 HG2 PRO B 204 -5.463 -1.765 -3.626 1.00 15.00 H new ATOM 0 HG3 PRO B 204 -4.175 -2.945 -3.763 1.00 15.00 H new ATOM 0 HD2 PRO B 204 -4.619 -0.983 -5.652 1.00 15.00 H new ATOM 0 HD3 PRO B 204 -3.844 -2.509 -6.030 1.00 15.00 H new ATOM 636 N HIS B 205 -8.662 -2.609 -3.990 1.00 15.00 N ATOM 637 CA HIS B 205 -9.659 -1.781 -3.328 1.00 15.00 C ATOM 638 C HIS B 205 -9.233 -1.602 -1.877 1.00 15.00 C ATOM 639 O HIS B 205 -8.711 -2.541 -1.280 1.00 15.00 O ATOM 640 CB HIS B 205 -11.038 -2.450 -3.403 1.00 15.00 C ATOM 641 CG HIS B 205 -12.175 -1.550 -3.021 1.00 15.00 C ATOM 642 ND1 HIS B 205 -13.054 -1.034 -3.939 1.00 15.00 N ATOM 643 CD2 HIS B 205 -12.568 -1.068 -1.819 1.00 15.00 C ATOM 644 CE1 HIS B 205 -13.933 -0.271 -3.325 1.00 15.00 C ATOM 645 NE2 HIS B 205 -13.665 -0.269 -2.033 1.00 15.00 N ATOM 0 H HIS B 205 -8.497 -3.506 -3.534 1.00 15.00 H new ATOM 0 HA HIS B 205 -9.731 -0.811 -3.819 1.00 15.00 H new ATOM 0 HB2 HIS B 205 -11.200 -2.812 -4.418 1.00 15.00 H new ATOM 0 HB3 HIS B 205 -11.043 -3.322 -2.749 1.00 15.00 H new ATOM 0 HD2 HIS B 205 -12.104 -1.274 -0.866 1.00 15.00 H new ATOM 0 HE1 HIS B 205 -14.741 0.265 -3.800 1.00 15.00 H new ATOM 0 HE2 HIS B 205 -14.183 0.239 -1.316 1.00 15.00 H new