USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=10 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 192 HIS : no HE2:sc= -0.295 K(o=-0.37,f=-3.6) USER MOD Set 1.2: A 195 GLN : amide:sc= -0.0768 K(o=-0.37,f=-1) USER MOD Set 2.1: A 191 ASN : amide:sc= 0.406 K(o=1.7,f=-5.9!) USER MOD Set 2.2: A 198 THR OG1 : rot 145:sc= 1.25 USER MOD Single : A 179 MET CE :methyl -160:sc= -0.0742 (180deg=-0.614) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -61:sc= 0.873 USER MOD Single : A 183 SER OG : rot -30:sc= 0.0326 USER MOD Single : A 184 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 186 GLN : amide:sc= -0.769 K(o=-0.77,f=-2) USER MOD Single : A 188 TYR OH : rot -127:sc= 0.441 USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 41:sc= 0.0682 USER MOD Single : A 200 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.38) USER MOD Single : B 203 TYR OH : rot 180:sc= 0 USER MOD Single : B 205 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 11.324 4.291 -0.829 1.00 15.00 N ATOM 46 CA LEU A 173 10.124 3.640 -1.320 1.00 15.00 C ATOM 47 C LEU A 173 10.416 2.156 -1.529 1.00 15.00 C ATOM 48 O LEU A 173 11.147 1.789 -2.453 1.00 15.00 O ATOM 49 CB LEU A 173 9.659 4.301 -2.628 1.00 15.00 C ATOM 50 CG LEU A 173 8.167 4.158 -2.964 1.00 15.00 C ATOM 51 CD1 LEU A 173 7.824 2.737 -3.382 1.00 15.00 C ATOM 52 CD2 LEU A 173 7.317 4.581 -1.773 1.00 15.00 C ATOM 0 HA LEU A 173 9.320 3.745 -0.591 1.00 15.00 H new ATOM 0 HB2 LEU A 173 9.900 5.363 -2.580 1.00 15.00 H new ATOM 0 HB3 LEU A 173 10.238 3.880 -3.450 1.00 15.00 H new ATOM 0 HG LEU A 173 7.949 4.813 -3.807 1.00 15.00 H new ATOM 0 HD11 LEU A 173 6.761 2.672 -3.612 1.00 15.00 H new ATOM 0 HD12 LEU A 173 8.404 2.468 -4.265 1.00 15.00 H new ATOM 0 HD13 LEU A 173 8.062 2.051 -2.569 1.00 15.00 H new ATOM 0 HD21 LEU A 173 6.261 4.475 -2.023 1.00 15.00 H new ATOM 0 HD22 LEU A 173 7.552 3.950 -0.916 1.00 15.00 H new ATOM 0 HD23 LEU A 173 7.529 5.621 -1.526 1.00 15.00 H new ATOM 64 N PRO A 174 9.902 1.296 -0.630 1.00 15.00 N ATOM 65 CA PRO A 174 10.096 -0.158 -0.718 1.00 15.00 C ATOM 66 C PRO A 174 9.581 -0.720 -2.043 1.00 15.00 C ATOM 67 O PRO A 174 8.537 -0.303 -2.543 1.00 15.00 O ATOM 68 CB PRO A 174 9.298 -0.700 0.478 1.00 15.00 C ATOM 69 CG PRO A 174 9.169 0.452 1.411 1.00 15.00 C ATOM 70 CD PRO A 174 9.101 1.675 0.546 1.00 15.00 C ATOM 0 HA PRO A 174 11.147 -0.444 -0.688 1.00 15.00 H new ATOM 0 HB2 PRO A 174 8.320 -1.066 0.166 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.815 -1.535 0.951 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.274 0.358 2.026 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.019 0.501 2.091 1.00 15.00 H new ATOM 0 HD2 PRO A 174 8.074 1.919 0.273 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.513 2.549 1.050 1.00 15.00 H new ATOM 78 N ALA A 175 10.291 -1.704 -2.585 1.00 15.00 N ATOM 79 CA ALA A 175 10.085 -2.121 -3.967 1.00 15.00 C ATOM 80 C ALA A 175 9.030 -3.216 -4.091 1.00 15.00 C ATOM 81 O ALA A 175 8.331 -3.295 -5.100 1.00 15.00 O ATOM 82 CB ALA A 175 11.401 -2.585 -4.573 1.00 15.00 C ATOM 0 H ALA A 175 11.013 -2.227 -2.089 1.00 15.00 H new ATOM 0 HA ALA A 175 9.715 -1.256 -4.517 1.00 15.00 H new ATOM 0 HB1 ALA A 175 11.237 -2.894 -5.605 1.00 15.00 H new ATOM 0 HB2 ALA A 175 12.121 -1.767 -4.549 1.00 15.00 H new ATOM 0 HB3 ALA A 175 11.789 -3.427 -3.999 1.00 15.00 H new ATOM 88 N GLY A 176 8.897 -4.047 -3.068 1.00 15.00 N ATOM 89 CA GLY A 176 7.898 -5.103 -3.104 1.00 15.00 C ATOM 90 C GLY A 176 6.552 -4.624 -2.609 1.00 15.00 C ATOM 91 O GLY A 176 5.742 -5.412 -2.119 1.00 15.00 O ATOM 0 H GLY A 176 9.458 -4.012 -2.217 1.00 15.00 H new ATOM 0 HA2 GLY A 176 7.799 -5.474 -4.124 1.00 15.00 H new ATOM 0 HA3 GLY A 176 8.233 -5.940 -2.492 1.00 15.00 H new ATOM 95 N TRP A 177 6.310 -3.328 -2.739 1.00 15.00 N ATOM 96 CA TRP A 177 5.124 -2.708 -2.176 1.00 15.00 C ATOM 97 C TRP A 177 4.368 -1.927 -3.247 1.00 15.00 C ATOM 98 O TRP A 177 4.950 -1.129 -3.981 1.00 15.00 O ATOM 99 CB TRP A 177 5.516 -1.795 -1.008 1.00 15.00 C ATOM 100 CG TRP A 177 6.163 -2.533 0.134 1.00 15.00 C ATOM 101 CD1 TRP A 177 7.370 -3.168 0.116 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.646 -2.702 1.458 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.632 -3.728 1.339 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.591 -3.457 2.180 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.477 -2.293 2.102 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.405 -3.808 3.511 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.294 -2.639 3.426 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.254 -3.389 4.116 1.00 15.00 C ATOM 0 H TRP A 177 6.926 -2.683 -3.234 1.00 15.00 H new ATOM 0 HA TRP A 177 4.462 -3.488 -1.800 1.00 15.00 H new ATOM 0 HB2 TRP A 177 6.200 -1.028 -1.370 1.00 15.00 H new ATOM 0 HB3 TRP A 177 4.626 -1.282 -0.642 1.00 15.00 H new ATOM 0 HD1 TRP A 177 8.026 -3.222 -0.740 1.00 15.00 H new ATOM 0 HE1 TRP A 177 8.468 -4.260 1.581 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.731 -1.717 1.575 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.141 -4.389 4.046 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.396 -2.326 3.938 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.080 -3.642 5.151 1.00 15.00 H new ATOM 119 N GLU A 178 3.069 -2.168 -3.318 1.00 15.00 N ATOM 120 CA GLU A 178 2.215 -1.535 -4.309 1.00 15.00 C ATOM 121 C GLU A 178 1.635 -0.245 -3.741 1.00 15.00 C ATOM 122 O GLU A 178 1.074 -0.240 -2.642 1.00 15.00 O ATOM 123 CB GLU A 178 1.085 -2.491 -4.714 1.00 15.00 C ATOM 124 CG GLU A 178 0.228 -1.975 -5.858 1.00 15.00 C ATOM 125 CD GLU A 178 1.037 -1.714 -7.111 1.00 15.00 C ATOM 126 OE1 GLU A 178 1.542 -0.583 -7.270 1.00 15.00 O ATOM 127 OE2 GLU A 178 1.182 -2.640 -7.935 1.00 15.00 O1- ATOM 0 H GLU A 178 2.578 -2.806 -2.692 1.00 15.00 H new ATOM 0 HA GLU A 178 2.807 -1.298 -5.193 1.00 15.00 H new ATOM 0 HB2 GLU A 178 1.517 -3.450 -5.000 1.00 15.00 H new ATOM 0 HB3 GLU A 178 0.448 -2.674 -3.849 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -0.555 -2.701 -6.078 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -0.268 -1.055 -5.551 1.00 15.00 H new ATOM 134 N MET A 179 1.752 0.838 -4.498 1.00 15.00 N ATOM 135 CA MET A 179 1.285 2.139 -4.041 1.00 15.00 C ATOM 136 C MET A 179 -0.160 2.355 -4.442 1.00 15.00 C ATOM 137 O MET A 179 -0.472 2.445 -5.631 1.00 15.00 O ATOM 138 CB MET A 179 2.115 3.277 -4.639 1.00 15.00 C ATOM 139 CG MET A 179 3.600 3.207 -4.344 1.00 15.00 C ATOM 140 SD MET A 179 3.998 3.606 -2.634 1.00 15.00 S ATOM 141 CE MET A 179 3.666 5.367 -2.625 1.00 15.00 C ATOM 0 H MET A 179 2.166 0.841 -5.430 1.00 15.00 H new ATOM 0 HA MET A 179 1.386 2.147 -2.956 1.00 15.00 H new ATOM 0 HB2 MET A 179 1.974 3.281 -5.720 1.00 15.00 H new ATOM 0 HB3 MET A 179 1.729 4.225 -4.264 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.963 2.205 -4.571 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.129 3.895 -5.004 1.00 15.00 H new ATOM 0 HE1 MET A 179 4.182 5.830 -1.784 1.00 15.00 H new ATOM 0 HE2 MET A 179 4.021 5.809 -3.556 1.00 15.00 H new ATOM 0 HE3 MET A 179 2.593 5.535 -2.529 1.00 15.00 H new ATOM 151 N ALA A 180 -1.042 2.432 -3.467 1.00 15.00 N ATOM 152 CA ALA A 180 -2.412 2.814 -3.737 1.00 15.00 C ATOM 153 C ALA A 180 -2.686 4.180 -3.133 1.00 15.00 C ATOM 154 O ALA A 180 -3.071 4.297 -1.970 1.00 15.00 O ATOM 155 CB ALA A 180 -3.380 1.777 -3.204 1.00 15.00 C ATOM 0 H ALA A 180 -0.837 2.237 -2.487 1.00 15.00 H new ATOM 0 HA ALA A 180 -2.559 2.870 -4.816 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -4.402 2.088 -3.420 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -3.184 0.817 -3.682 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -3.251 1.679 -2.126 1.00 15.00 H new ATOM 161 N LYS A 181 -2.443 5.210 -3.928 1.00 15.00 N ATOM 162 CA LYS A 181 -2.624 6.577 -3.484 1.00 15.00 C ATOM 163 C LYS A 181 -3.932 7.128 -4.030 1.00 15.00 C ATOM 164 O LYS A 181 -4.023 7.475 -5.210 1.00 15.00 O ATOM 165 CB LYS A 181 -1.462 7.452 -3.961 1.00 15.00 C ATOM 166 CG LYS A 181 -0.080 6.932 -3.581 1.00 15.00 C ATOM 167 CD LYS A 181 1.010 7.859 -4.092 1.00 15.00 C ATOM 168 CE LYS A 181 0.961 7.986 -5.606 1.00 15.00 C ATOM 169 NZ LYS A 181 1.963 8.951 -6.119 1.00 15.00 N1+ ATOM 0 H LYS A 181 -2.118 5.121 -4.891 1.00 15.00 H new ATOM 0 HA LYS A 181 -2.651 6.588 -2.394 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -1.515 7.545 -5.046 1.00 15.00 H new ATOM 0 HB3 LYS A 181 -1.585 8.454 -3.549 1.00 15.00 H new ATOM 0 HG2 LYS A 181 -0.007 6.842 -2.497 1.00 15.00 H new ATOM 0 HG3 LYS A 181 0.063 5.934 -3.995 1.00 15.00 H new ATOM 0 HD2 LYS A 181 0.896 8.843 -3.638 1.00 15.00 H new ATOM 0 HD3 LYS A 181 1.985 7.479 -3.788 1.00 15.00 H new ATOM 0 HE2 LYS A 181 1.136 7.009 -6.057 1.00 15.00 H new ATOM 0 HE3 LYS A 181 -0.036 8.304 -5.910 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 1.894 9.006 -7.155 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 1.782 9.890 -5.710 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 2.917 8.635 -5.852 1.00 15.00 H new ATOM 183 N THR A 182 -4.953 7.174 -3.194 1.00 15.00 N ATOM 184 CA THR A 182 -6.251 7.655 -3.632 1.00 15.00 C ATOM 185 C THR A 182 -6.449 9.114 -3.230 1.00 15.00 C ATOM 186 O THR A 182 -6.211 9.480 -2.071 1.00 15.00 O ATOM 187 CB THR A 182 -7.401 6.805 -3.049 1.00 15.00 C ATOM 188 OG1 THR A 182 -7.400 6.882 -1.618 1.00 15.00 O ATOM 189 CG2 THR A 182 -7.274 5.351 -3.475 1.00 15.00 C ATOM 0 H THR A 182 -4.910 6.887 -2.216 1.00 15.00 H new ATOM 0 HA THR A 182 -6.274 7.569 -4.718 1.00 15.00 H new ATOM 0 HB THR A 182 -8.339 7.204 -3.435 1.00 15.00 H new ATOM 0 HG1 THR A 182 -6.551 6.535 -1.272 1.00 15.00 H new ATOM 0 HG21 THR A 182 -8.096 4.774 -3.051 1.00 15.00 H new ATOM 0 HG22 THR A 182 -7.308 5.286 -4.563 1.00 15.00 H new ATOM 0 HG23 THR A 182 -6.326 4.949 -3.117 1.00 15.00 H new ATOM 197 N SER A 183 -6.890 9.948 -4.179 1.00 15.00 N ATOM 198 CA SER A 183 -7.161 11.354 -3.900 1.00 15.00 C ATOM 199 C SER A 183 -8.307 11.475 -2.897 1.00 15.00 C ATOM 200 O SER A 183 -8.534 12.535 -2.313 1.00 15.00 O ATOM 201 CB SER A 183 -7.493 12.108 -5.193 1.00 15.00 C ATOM 202 OG SER A 183 -7.470 13.515 -4.996 1.00 15.00 O ATOM 0 H SER A 183 -7.065 9.669 -5.144 1.00 15.00 H new ATOM 0 HA SER A 183 -6.267 11.804 -3.467 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.776 11.836 -5.968 1.00 15.00 H new ATOM 0 HB3 SER A 183 -8.478 11.805 -5.549 1.00 15.00 H new ATOM 0 HG SER A 183 -7.716 13.720 -4.070 1.00 15.00 H new ATOM 208 N SER A 184 -9.026 10.370 -2.716 1.00 15.00 N ATOM 209 CA SER A 184 -10.085 10.279 -1.725 1.00 15.00 C ATOM 210 C SER A 184 -9.516 10.424 -0.311 1.00 15.00 C ATOM 211 O SER A 184 -10.257 10.615 0.653 1.00 15.00 O ATOM 212 CB SER A 184 -10.790 8.929 -1.873 1.00 15.00 C ATOM 213 OG SER A 184 -10.937 8.593 -3.245 1.00 15.00 O ATOM 0 H SER A 184 -8.888 9.515 -3.254 1.00 15.00 H new ATOM 0 HA SER A 184 -10.798 11.087 -1.887 1.00 15.00 H new ATOM 0 HB2 SER A 184 -10.217 8.155 -1.362 1.00 15.00 H new ATOM 0 HB3 SER A 184 -11.769 8.969 -1.395 1.00 15.00 H new ATOM 0 HG SER A 184 -11.388 7.726 -3.323 1.00 15.00 H new ATOM 219 N GLY A 185 -8.197 10.299 -0.191 1.00 15.00 N ATOM 220 CA GLY A 185 -7.545 10.510 1.083 1.00 15.00 C ATOM 221 C GLY A 185 -7.177 9.217 1.778 1.00 15.00 C ATOM 222 O GLY A 185 -7.173 9.154 3.005 1.00 15.00 O ATOM 0 H GLY A 185 -7.570 10.055 -0.957 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -6.644 11.104 0.930 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -8.203 11.090 1.730 1.00 15.00 H new ATOM 226 N GLN A 186 -6.868 8.183 1.006 1.00 15.00 N ATOM 227 CA GLN A 186 -6.453 6.913 1.593 1.00 15.00 C ATOM 228 C GLN A 186 -5.163 6.420 0.968 1.00 15.00 C ATOM 229 O GLN A 186 -5.101 6.155 -0.232 1.00 15.00 O ATOM 230 CB GLN A 186 -7.534 5.835 1.458 1.00 15.00 C ATOM 231 CG GLN A 186 -8.790 6.127 2.257 1.00 15.00 C ATOM 232 CD GLN A 186 -9.695 4.920 2.401 1.00 15.00 C ATOM 233 OE1 GLN A 186 -9.628 4.204 3.396 1.00 15.00 O ATOM 234 NE2 GLN A 186 -10.519 4.661 1.402 1.00 15.00 N ATOM 0 H GLN A 186 -6.896 8.196 -0.014 1.00 15.00 H new ATOM 0 HA GLN A 186 -6.290 7.099 2.655 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -7.800 5.729 0.406 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -7.123 4.878 1.781 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -8.509 6.483 3.248 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -9.342 6.933 1.773 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -10.547 5.279 0.591 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -11.127 3.843 1.442 1.00 15.00 H new ATOM 243 N ARG A 187 -4.139 6.307 1.789 1.00 15.00 N ATOM 244 CA ARG A 187 -2.867 5.771 1.345 1.00 15.00 C ATOM 245 C ARG A 187 -2.625 4.405 1.978 1.00 15.00 C ATOM 246 O ARG A 187 -2.261 4.307 3.149 1.00 15.00 O ATOM 247 CB ARG A 187 -1.718 6.737 1.681 1.00 15.00 C ATOM 248 CG ARG A 187 -1.716 7.212 3.127 1.00 15.00 C ATOM 249 CD ARG A 187 -0.585 8.193 3.399 1.00 15.00 C ATOM 250 NE ARG A 187 0.738 7.571 3.292 1.00 15.00 N ATOM 251 CZ ARG A 187 1.775 8.138 2.679 1.00 15.00 C ATOM 252 NH1 ARG A 187 1.620 9.287 2.031 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 2.967 7.551 2.703 1.00 15.00 N ATOM 0 H ARG A 187 -4.163 6.580 2.771 1.00 15.00 H new ATOM 0 HA ARG A 187 -2.900 5.654 0.262 1.00 15.00 H new ATOM 0 HB2 ARG A 187 -0.769 6.245 1.469 1.00 15.00 H new ATOM 0 HB3 ARG A 187 -1.781 7.604 1.024 1.00 15.00 H new ATOM 0 HG2 ARG A 187 -2.671 7.686 3.355 1.00 15.00 H new ATOM 0 HG3 ARG A 187 -1.620 6.353 3.791 1.00 15.00 H new ATOM 0 HD2 ARG A 187 -0.651 9.022 2.694 1.00 15.00 H new ATOM 0 HD3 ARG A 187 -0.705 8.613 4.398 1.00 15.00 H new ATOM 0 HE ARG A 187 0.872 6.651 3.711 1.00 15.00 H new ATOM 0 HH11 ARG A 187 0.705 9.737 2.002 1.00 15.00 H new ATOM 0 HH12 ARG A 187 2.416 9.719 1.562 1.00 15.00 H new ATOM 0 HH21 ARG A 187 3.089 6.664 3.192 1.00 15.00 H new ATOM 0 HH22 ARG A 187 3.760 7.987 2.233 1.00 15.00 H new ATOM 267 N TYR A 188 -2.886 3.344 1.228 1.00 15.00 N ATOM 268 CA TYR A 188 -2.626 2.008 1.727 1.00 15.00 C ATOM 269 C TYR A 188 -1.585 1.329 0.848 1.00 15.00 C ATOM 270 O TYR A 188 -1.679 1.346 -0.382 1.00 15.00 O ATOM 271 CB TYR A 188 -3.923 1.171 1.842 1.00 15.00 C ATOM 272 CG TYR A 188 -4.606 0.798 0.537 1.00 15.00 C ATOM 273 CD1 TYR A 188 -4.202 -0.322 -0.180 1.00 15.00 C ATOM 274 CD2 TYR A 188 -5.672 1.541 0.033 1.00 15.00 C ATOM 275 CE1 TYR A 188 -4.829 -0.685 -1.356 1.00 15.00 C ATOM 276 CE2 TYR A 188 -6.296 1.184 -1.143 1.00 15.00 C ATOM 277 CZ TYR A 188 -5.872 0.073 -1.835 1.00 15.00 C ATOM 278 OH TYR A 188 -6.506 -0.290 -3.001 1.00 15.00 O ATOM 0 H TYR A 188 -3.272 3.383 0.285 1.00 15.00 H new ATOM 0 HA TYR A 188 -2.228 2.086 2.739 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -3.690 0.252 2.380 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -4.635 1.726 2.453 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -3.382 -0.920 0.189 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -6.015 2.411 0.573 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -4.502 -1.560 -1.897 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -7.117 1.776 -1.521 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.514 0.470 -3.620 1.00 15.00 H new ATOM 288 N PHE A 189 -0.580 0.757 1.483 1.00 15.00 N ATOM 289 CA PHE A 189 0.498 0.112 0.761 1.00 15.00 C ATOM 290 C PHE A 189 0.312 -1.395 0.785 1.00 15.00 C ATOM 291 O PHE A 189 0.127 -1.999 1.841 1.00 15.00 O ATOM 292 CB PHE A 189 1.862 0.498 1.352 1.00 15.00 C ATOM 293 CG PHE A 189 2.218 1.952 1.168 1.00 15.00 C ATOM 294 CD1 PHE A 189 1.598 2.705 0.185 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.172 2.565 1.974 1.00 15.00 C ATOM 296 CE1 PHE A 189 1.914 4.036 0.005 1.00 15.00 C ATOM 297 CE2 PHE A 189 3.491 3.898 1.796 1.00 15.00 C ATOM 298 CZ PHE A 189 2.863 4.632 0.810 1.00 15.00 C ATOM 0 H PHE A 189 -0.488 0.726 2.498 1.00 15.00 H new ATOM 0 HA PHE A 189 0.473 0.453 -0.274 1.00 15.00 H new ATOM 0 HB2 PHE A 189 1.865 0.265 2.417 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.634 -0.116 0.890 1.00 15.00 H new ATOM 0 HD1 PHE A 189 0.856 2.244 -0.450 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.668 1.994 2.745 1.00 15.00 H new ATOM 0 HE1 PHE A 189 1.419 4.610 -0.765 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.231 4.365 2.428 1.00 15.00 H new ATOM 0 HZ PHE A 189 3.114 5.673 0.669 1.00 15.00 H new ATOM 308 N LEU A 190 0.358 -1.997 -0.386 1.00 15.00 N ATOM 309 CA LEU A 190 0.227 -3.438 -0.499 1.00 15.00 C ATOM 310 C LEU A 190 1.595 -4.083 -0.408 1.00 15.00 C ATOM 311 O LEU A 190 2.559 -3.560 -0.954 1.00 15.00 O ATOM 312 CB LEU A 190 -0.380 -3.828 -1.849 1.00 15.00 C ATOM 313 CG LEU A 190 -1.849 -3.484 -2.064 1.00 15.00 C ATOM 314 CD1 LEU A 190 -2.346 -4.164 -3.329 1.00 15.00 C ATOM 315 CD2 LEU A 190 -2.684 -3.905 -0.865 1.00 15.00 C ATOM 0 H LEU A 190 0.485 -1.512 -1.274 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.421 -3.777 0.309 1.00 15.00 H new ATOM 0 HB2 LEU A 190 0.201 -3.346 -2.635 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -0.260 -4.904 -1.978 1.00 15.00 H new ATOM 0 HG LEU A 190 -1.949 -2.404 -2.175 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -3.397 -3.919 -3.485 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -1.762 -3.817 -4.182 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -2.236 -5.244 -3.229 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -3.729 -3.649 -1.041 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.594 -4.981 -0.719 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.329 -3.387 0.026 1.00 15.00 H new ATOM 327 N ASN A 191 1.692 -5.232 0.229 1.00 15.00 N ATOM 328 CA ASN A 191 2.915 -5.996 0.138 1.00 15.00 C ATOM 329 C ASN A 191 2.749 -6.902 -1.059 1.00 15.00 C ATOM 330 O ASN A 191 2.185 -7.987 -0.952 1.00 15.00 O ATOM 331 CB ASN A 191 3.211 -6.813 1.410 1.00 15.00 C ATOM 332 CG ASN A 191 3.125 -5.989 2.690 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.335 -5.056 2.792 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.928 -6.331 3.683 1.00 15.00 N ATOM 0 H ASN A 191 0.957 -5.648 0.802 1.00 15.00 H new ATOM 0 HA ASN A 191 3.767 -5.325 0.031 1.00 15.00 H new ATOM 0 HB2 ASN A 191 2.507 -7.643 1.472 1.00 15.00 H new ATOM 0 HB3 ASN A 191 4.208 -7.246 1.331 1.00 15.00 H new ATOM 0 HD21 ASN A 191 3.901 -5.814 4.562 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.575 -7.111 3.570 1.00 15.00 H new ATOM 341 N HIS A 192 3.196 -6.407 -2.211 1.00 15.00 N ATOM 342 CA HIS A 192 2.865 -6.988 -3.517 1.00 15.00 C ATOM 343 C HIS A 192 3.592 -8.312 -3.734 1.00 15.00 C ATOM 344 O HIS A 192 3.466 -8.945 -4.779 1.00 15.00 O ATOM 345 CB HIS A 192 3.246 -5.993 -4.613 1.00 15.00 C ATOM 346 CG HIS A 192 2.323 -5.979 -5.797 1.00 15.00 C ATOM 347 ND1 HIS A 192 1.120 -6.657 -5.845 1.00 15.00 N ATOM 348 CD2 HIS A 192 2.419 -5.311 -6.970 1.00 15.00 C ATOM 349 CE1 HIS A 192 0.520 -6.399 -6.995 1.00 15.00 C ATOM 350 NE2 HIS A 192 1.288 -5.586 -7.696 1.00 15.00 N ATOM 0 H HIS A 192 3.801 -5.588 -2.269 1.00 15.00 H new ATOM 0 HA HIS A 192 1.794 -7.190 -3.552 1.00 15.00 H new ATOM 0 HB2 HIS A 192 3.277 -4.992 -4.182 1.00 15.00 H new ATOM 0 HB3 HIS A 192 4.254 -6.222 -4.958 1.00 15.00 H new ATOM 0 HD1 HIS A 192 0.753 -7.261 -5.110 1.00 15.00 H new ATOM 0 HD2 HIS A 192 3.237 -4.677 -7.278 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -0.438 -6.788 -7.308 1.00 15.00 H new ATOM 359 N ILE A 193 4.329 -8.718 -2.720 1.00 15.00 N ATOM 360 CA ILE A 193 5.066 -9.966 -2.727 1.00 15.00 C ATOM 361 C ILE A 193 4.196 -11.095 -2.182 1.00 15.00 C ATOM 362 O ILE A 193 4.139 -12.189 -2.749 1.00 15.00 O ATOM 363 CB ILE A 193 6.330 -9.830 -1.853 1.00 15.00 C ATOM 364 CG1 ILE A 193 5.991 -9.023 -0.588 1.00 15.00 C ATOM 365 CG2 ILE A 193 7.443 -9.157 -2.642 1.00 15.00 C ATOM 366 CD1 ILE A 193 7.028 -9.099 0.506 1.00 15.00 C ATOM 0 H ILE A 193 4.434 -8.184 -1.857 1.00 15.00 H new ATOM 0 HA ILE A 193 5.353 -10.197 -3.753 1.00 15.00 H new ATOM 0 HB ILE A 193 6.677 -10.820 -1.557 1.00 15.00 H new ATOM 0 HG12 ILE A 193 5.852 -7.978 -0.866 1.00 15.00 H new ATOM 0 HG13 ILE A 193 5.039 -9.377 -0.192 1.00 15.00 H new ATOM 0 HG21 ILE A 193 8.330 -9.066 -2.015 1.00 15.00 H new ATOM 0 HG22 ILE A 193 7.680 -9.757 -3.521 1.00 15.00 H new ATOM 0 HG23 ILE A 193 7.118 -8.165 -2.956 1.00 15.00 H new ATOM 0 HD11 ILE A 193 6.704 -8.500 1.357 1.00 15.00 H new ATOM 0 HD12 ILE A 193 7.152 -10.136 0.818 1.00 15.00 H new ATOM 0 HD13 ILE A 193 7.978 -8.716 0.134 1.00 15.00 H new ATOM 378 N ASP A 194 3.516 -10.809 -1.079 1.00 15.00 N ATOM 379 CA ASP A 194 2.599 -11.756 -0.458 1.00 15.00 C ATOM 380 C ASP A 194 1.158 -11.436 -0.825 1.00 15.00 C ATOM 381 O ASP A 194 0.253 -12.237 -0.591 1.00 15.00 O ATOM 382 CB ASP A 194 2.770 -11.752 1.064 1.00 15.00 C ATOM 383 CG ASP A 194 3.929 -12.613 1.519 1.00 15.00 C ATOM 384 OD1 ASP A 194 5.064 -12.102 1.588 1.00 15.00 O ATOM 385 OD2 ASP A 194 3.704 -13.805 1.818 1.00 15.00 O1- ATOM 0 H ASP A 194 3.584 -9.916 -0.591 1.00 15.00 H new ATOM 0 HA ASP A 194 2.837 -12.751 -0.834 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.925 -10.729 1.406 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.852 -12.108 1.531 1.00 15.00 H new ATOM 390 N GLN A 195 0.964 -10.232 -1.359 1.00 15.00 N ATOM 391 CA GLN A 195 -0.350 -9.722 -1.738 1.00 15.00 C ATOM 392 C GLN A 195 -1.211 -9.515 -0.492 1.00 15.00 C ATOM 393 O GLN A 195 -2.430 -9.689 -0.510 1.00 15.00 O ATOM 394 CB GLN A 195 -1.022 -10.660 -2.752 1.00 15.00 C ATOM 395 CG GLN A 195 -2.247 -10.061 -3.429 1.00 15.00 C ATOM 396 CD GLN A 195 -1.980 -8.689 -4.029 1.00 15.00 C ATOM 397 OE1 GLN A 195 -0.867 -8.386 -4.474 1.00 15.00 O ATOM 398 NE2 GLN A 195 -2.997 -7.843 -4.030 1.00 15.00 N ATOM 0 H GLN A 195 1.724 -9.577 -1.542 1.00 15.00 H new ATOM 0 HA GLN A 195 -0.232 -8.754 -2.225 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -0.295 -10.934 -3.516 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -1.313 -11.580 -2.244 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -2.588 -10.735 -4.215 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -3.056 -9.983 -2.702 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -3.900 -8.131 -3.654 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -2.878 -6.903 -4.407 1.00 15.00 H new ATOM 407 N THR A 196 -0.564 -9.089 0.584 1.00 15.00 N ATOM 408 CA THR A 196 -1.273 -8.793 1.818 1.00 15.00 C ATOM 409 C THR A 196 -1.482 -7.283 1.954 1.00 15.00 C ATOM 410 O THR A 196 -0.689 -6.486 1.439 1.00 15.00 O ATOM 411 CB THR A 196 -0.541 -9.356 3.060 1.00 15.00 C ATOM 412 OG1 THR A 196 -1.341 -9.162 4.236 1.00 15.00 O ATOM 413 CG2 THR A 196 0.818 -8.700 3.250 1.00 15.00 C ATOM 0 H THR A 196 0.444 -8.942 0.626 1.00 15.00 H new ATOM 0 HA THR A 196 -2.243 -9.287 1.768 1.00 15.00 H new ATOM 0 HB THR A 196 -0.384 -10.422 2.898 1.00 15.00 H new ATOM 0 HG1 THR A 196 -0.870 -9.523 5.016 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.304 -9.119 4.131 1.00 15.00 H new ATOM 0 HG22 THR A 196 1.437 -8.884 2.372 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.688 -7.626 3.384 1.00 15.00 H new ATOM 421 N THR A 197 -2.561 -6.901 2.619 1.00 15.00 N ATOM 422 CA THR A 197 -2.948 -5.505 2.725 1.00 15.00 C ATOM 423 C THR A 197 -2.425 -4.870 4.017 1.00 15.00 C ATOM 424 O THR A 197 -2.666 -5.381 5.111 1.00 15.00 O ATOM 425 CB THR A 197 -4.480 -5.382 2.658 1.00 15.00 C ATOM 426 OG1 THR A 197 -5.091 -6.335 3.538 1.00 15.00 O ATOM 427 CG2 THR A 197 -4.984 -5.609 1.239 1.00 15.00 C ATOM 0 H THR A 197 -3.189 -7.547 3.098 1.00 15.00 H new ATOM 0 HA THR A 197 -2.501 -4.968 1.888 1.00 15.00 H new ATOM 0 HB THR A 197 -4.750 -4.372 2.968 1.00 15.00 H new ATOM 0 HG1 THR A 197 -4.585 -6.378 4.376 1.00 15.00 H new ATOM 0 HG21 THR A 197 -6.070 -5.517 1.219 1.00 15.00 H new ATOM 0 HG22 THR A 197 -4.544 -4.866 0.574 1.00 15.00 H new ATOM 0 HG23 THR A 197 -4.699 -6.607 0.907 1.00 15.00 H new ATOM 435 N THR A 198 -1.718 -3.750 3.885 1.00 15.00 N ATOM 436 CA THR A 198 -1.092 -3.107 5.032 1.00 15.00 C ATOM 437 C THR A 198 -1.403 -1.596 5.070 1.00 15.00 C ATOM 438 O THR A 198 -1.071 -0.864 4.138 1.00 15.00 O ATOM 439 CB THR A 198 0.437 -3.330 4.979 1.00 15.00 C ATOM 440 OG1 THR A 198 0.715 -4.729 4.861 1.00 15.00 O ATOM 441 CG2 THR A 198 1.135 -2.788 6.216 1.00 15.00 C ATOM 0 H THR A 198 -1.566 -3.272 2.997 1.00 15.00 H new ATOM 0 HA THR A 198 -1.499 -3.555 5.939 1.00 15.00 H new ATOM 0 HB THR A 198 0.817 -2.790 4.112 1.00 15.00 H new ATOM 0 HG1 THR A 198 1.504 -4.859 4.294 1.00 15.00 H new ATOM 0 HG21 THR A 198 2.207 -2.966 6.136 1.00 15.00 H new ATOM 0 HG22 THR A 198 0.950 -1.717 6.298 1.00 15.00 H new ATOM 0 HG23 THR A 198 0.748 -3.292 7.102 1.00 15.00 H new ATOM 449 N TRP A 199 -2.065 -1.132 6.140 1.00 15.00 N ATOM 450 CA TRP A 199 -2.320 0.303 6.318 1.00 15.00 C ATOM 451 C TRP A 199 -1.161 0.979 7.042 1.00 15.00 C ATOM 452 O TRP A 199 -1.117 2.204 7.156 1.00 15.00 O ATOM 453 CB TRP A 199 -3.608 0.561 7.114 1.00 15.00 C ATOM 454 CG TRP A 199 -4.875 0.350 6.343 1.00 15.00 C ATOM 455 CD1 TRP A 199 -5.670 -0.757 6.372 1.00 15.00 C ATOM 456 CD2 TRP A 199 -5.508 1.278 5.447 1.00 15.00 C ATOM 457 NE1 TRP A 199 -6.757 -0.578 5.554 1.00 15.00 N ATOM 458 CE2 TRP A 199 -6.679 0.658 4.970 1.00 15.00 C ATOM 459 CE3 TRP A 199 -5.203 2.569 4.998 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -7.539 1.281 4.072 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -6.063 3.187 4.104 1.00 15.00 C ATOM 462 CH2 TRP A 199 -7.215 2.539 3.651 1.00 15.00 C ATOM 0 H TRP A 199 -2.430 -1.723 6.887 1.00 15.00 H new ATOM 0 HA TRP A 199 -2.429 0.723 5.318 1.00 15.00 H new ATOM 0 HB2 TRP A 199 -3.617 -0.093 7.986 1.00 15.00 H new ATOM 0 HB3 TRP A 199 -3.591 1.586 7.484 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -5.473 -1.645 6.954 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -7.504 -1.257 5.405 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -4.313 3.074 5.343 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -8.432 0.787 3.720 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -5.840 4.183 3.753 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -7.864 3.045 2.952 1.00 15.00 H new ATOM 473 N GLN A 200 -0.233 0.179 7.544 1.00 15.00 N ATOM 474 CA GLN A 200 0.887 0.706 8.304 1.00 15.00 C ATOM 475 C GLN A 200 2.047 1.023 7.381 1.00 15.00 C ATOM 476 O GLN A 200 2.487 0.175 6.606 1.00 15.00 O ATOM 477 CB GLN A 200 1.340 -0.280 9.386 1.00 15.00 C ATOM 478 CG GLN A 200 0.359 -0.432 10.540 1.00 15.00 C ATOM 479 CD GLN A 200 -0.875 -1.236 10.177 1.00 15.00 C ATOM 480 OE1 GLN A 200 -1.966 -0.984 10.690 1.00 15.00 O ATOM 481 NE2 GLN A 200 -0.706 -2.232 9.319 1.00 15.00 N ATOM 0 H GLN A 200 -0.234 -0.836 7.439 1.00 15.00 H new ATOM 0 HA GLN A 200 0.554 1.621 8.793 1.00 15.00 H new ATOM 0 HB2 GLN A 200 1.500 -1.256 8.928 1.00 15.00 H new ATOM 0 HB3 GLN A 200 2.301 0.048 9.782 1.00 15.00 H new ATOM 0 HG2 GLN A 200 0.865 -0.914 11.377 1.00 15.00 H new ATOM 0 HG3 GLN A 200 0.053 0.557 10.880 1.00 15.00 H new ATOM 0 HE21 GLN A 200 0.215 -2.408 8.916 1.00 15.00 H new ATOM 0 HE22 GLN A 200 -1.496 -2.823 9.061 1.00 15.00 H new ATOM 490 N ASP A 201 2.533 2.248 7.471 1.00 15.00 N ATOM 491 CA ASP A 201 3.653 2.688 6.660 1.00 15.00 C ATOM 492 C ASP A 201 4.939 2.027 7.151 1.00 15.00 C ATOM 493 O ASP A 201 5.360 2.235 8.291 1.00 15.00 O ATOM 494 CB ASP A 201 3.771 4.211 6.725 1.00 15.00 C ATOM 495 CG ASP A 201 4.761 4.769 5.721 1.00 15.00 C ATOM 496 OD1 ASP A 201 5.978 4.690 5.980 1.00 15.00 O ATOM 497 OD2 ASP A 201 4.314 5.302 4.683 1.00 15.00 O1- ATOM 0 H ASP A 201 2.166 2.960 8.103 1.00 15.00 H new ATOM 0 HA ASP A 201 3.487 2.396 5.623 1.00 15.00 H new ATOM 0 HB2 ASP A 201 2.791 4.654 6.547 1.00 15.00 H new ATOM 0 HB3 ASP A 201 4.076 4.504 7.730 1.00 15.00 H new ATOM 502 N PRO A 202 5.568 1.201 6.300 1.00 15.00 N ATOM 503 CA PRO A 202 6.763 0.431 6.668 1.00 15.00 C ATOM 504 C PRO A 202 8.000 1.306 6.830 1.00 15.00 C ATOM 505 O PRO A 202 9.015 0.878 7.375 1.00 15.00 O ATOM 506 CB PRO A 202 6.941 -0.541 5.501 1.00 15.00 C ATOM 507 CG PRO A 202 6.284 0.127 4.339 1.00 15.00 C ATOM 508 CD PRO A 202 5.159 0.951 4.904 1.00 15.00 C ATOM 0 HA PRO A 202 6.641 -0.061 7.633 1.00 15.00 H new ATOM 0 HB2 PRO A 202 7.996 -0.731 5.303 1.00 15.00 H new ATOM 0 HB3 PRO A 202 6.479 -1.504 5.716 1.00 15.00 H new ATOM 0 HG2 PRO A 202 6.993 0.755 3.800 1.00 15.00 H new ATOM 0 HG3 PRO A 202 5.908 -0.610 3.629 1.00 15.00 H new ATOM 0 HD2 PRO A 202 5.030 1.882 4.353 1.00 15.00 H new ATOM 0 HD3 PRO A 202 4.210 0.418 4.855 1.00 15.00 H new ATOM 601 N TYR B 203 -5.380 -2.517 -9.286 1.00 15.00 N ATOM 602 CA TYR B 203 -5.955 -1.771 -8.180 1.00 15.00 C ATOM 603 C TYR B 203 -7.082 -2.571 -7.536 1.00 15.00 C ATOM 604 O TYR B 203 -8.060 -2.924 -8.197 1.00 15.00 O ATOM 605 CB TYR B 203 -6.479 -0.409 -8.653 1.00 15.00 C ATOM 606 CG TYR B 203 -7.117 0.407 -7.547 1.00 15.00 C ATOM 607 CD1 TYR B 203 -6.338 1.007 -6.566 1.00 15.00 C ATOM 608 CD2 TYR B 203 -8.498 0.559 -7.472 1.00 15.00 C ATOM 609 CE1 TYR B 203 -6.914 1.736 -5.544 1.00 15.00 C ATOM 610 CE2 TYR B 203 -9.082 1.283 -6.449 1.00 15.00 C ATOM 611 CZ TYR B 203 -8.286 1.869 -5.487 1.00 15.00 C ATOM 612 OH TYR B 203 -8.860 2.590 -4.465 1.00 15.00 O ATOM 0 HA TYR B 203 -5.173 -1.599 -7.441 1.00 15.00 H new ATOM 0 HB2 TYR B 203 -5.655 0.159 -9.085 1.00 15.00 H new ATOM 0 HB3 TYR B 203 -7.209 -0.565 -9.447 1.00 15.00 H new ATOM 0 HD1 TYR B 203 -5.264 0.902 -6.603 1.00 15.00 H new ATOM 0 HD2 TYR B 203 -9.124 0.104 -8.225 1.00 15.00 H new ATOM 0 HE1 TYR B 203 -6.293 2.200 -4.792 1.00 15.00 H new ATOM 0 HE2 TYR B 203 -10.156 1.389 -6.403 1.00 15.00 H new ATOM 0 HH TYR B 203 -9.834 2.588 -4.571 1.00 15.00 H new ATOM 622 N PRO B 204 -6.941 -2.876 -6.240 1.00 15.00 N ATOM 623 CA PRO B 204 -7.966 -3.572 -5.464 1.00 15.00 C ATOM 624 C PRO B 204 -9.113 -2.631 -5.088 1.00 15.00 C ATOM 625 O PRO B 204 -9.638 -1.909 -5.937 1.00 15.00 O ATOM 626 CB PRO B 204 -7.208 -4.046 -4.205 1.00 15.00 C ATOM 627 CG PRO B 204 -5.772 -3.706 -4.439 1.00 15.00 C ATOM 628 CD PRO B 204 -5.766 -2.579 -5.424 1.00 15.00 C ATOM 0 HA PRO B 204 -8.428 -4.390 -6.017 1.00 15.00 H new ATOM 0 HB2 PRO B 204 -7.586 -3.550 -3.311 1.00 15.00 H new ATOM 0 HB3 PRO B 204 -7.336 -5.118 -4.053 1.00 15.00 H new ATOM 0 HG2 PRO B 204 -5.285 -3.413 -3.509 1.00 15.00 H new ATOM 0 HG3 PRO B 204 -5.226 -4.566 -4.828 1.00 15.00 H new ATOM 0 HD2 PRO B 204 -5.846 -1.609 -4.933 1.00 15.00 H new ATOM 0 HD3 PRO B 204 -4.852 -2.562 -6.017 1.00 15.00 H new ATOM 636 N HIS B 205 -9.529 -2.664 -3.832 1.00 15.00 N ATOM 637 CA HIS B 205 -10.543 -1.736 -3.346 1.00 15.00 C ATOM 638 C HIS B 205 -10.292 -1.434 -1.876 1.00 15.00 C ATOM 639 O HIS B 205 -11.219 -1.397 -1.071 1.00 15.00 O ATOM 640 CB HIS B 205 -11.954 -2.304 -3.551 1.00 15.00 C ATOM 641 CG HIS B 205 -13.037 -1.267 -3.441 1.00 15.00 C ATOM 642 ND1 HIS B 205 -13.422 -0.473 -4.498 1.00 15.00 N ATOM 643 CD2 HIS B 205 -13.809 -0.892 -2.394 1.00 15.00 C ATOM 644 CE1 HIS B 205 -14.379 0.346 -4.106 1.00 15.00 C ATOM 645 NE2 HIS B 205 -14.635 0.113 -2.834 1.00 15.00 N ATOM 0 H HIS B 205 -9.183 -3.320 -3.131 1.00 15.00 H new ATOM 0 HA HIS B 205 -10.476 -0.810 -3.918 1.00 15.00 H new ATOM 0 HB2 HIS B 205 -12.009 -2.774 -4.533 1.00 15.00 H new ATOM 0 HB3 HIS B 205 -12.134 -3.086 -2.813 1.00 15.00 H new ATOM 0 HD2 HIS B 205 -13.781 -1.307 -1.397 1.00 15.00 H new ATOM 0 HE1 HIS B 205 -14.870 1.083 -4.723 1.00 15.00 H new ATOM 0 HE2 HIS B 205 -15.332 0.599 -2.270 1.00 15.00 H new