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= -3.2! K(o=-3.1!,f=0.7) USER MOD Set 1.2: A 198 THR OG1 : rot -150:sc= 0.131 USER MOD Single : A 179 MET CE :methyl -159:sc= -0.973 (180deg=-1.95) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -64:sc= -0.545! USER MOD Single : A 183 SER OG : rot -35:sc= 0.0142 USER MOD Single : A 184 SER OG : rot -30:sc= 0.137 USER MOD Single : A 186 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 188 TYR OH : rot 180:sc= -0.62 USER MOD Single : A 192 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-8.1!) USER MOD Single : A 195 GLN : amide:sc= -2.41! C(o=-2.4!,f=-7.1!) USER MOD Single : A 196 THR OG1 : rot 180:sc= -2.07 USER MOD Single : A 197 THR OG1 : rot 43:sc= 0.1 USER MOD Single : A 200 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 203 TYR OH : rot 180:sc= 0 USER MOD Single : B 205 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 11.333 3.807 -0.403 1.00 15.00 N ATOM 46 CA LEU A 173 10.187 3.164 -1.029 1.00 15.00 C ATOM 47 C LEU A 173 10.514 1.699 -1.328 1.00 15.00 C ATOM 48 O LEU A 173 11.235 1.395 -2.276 1.00 15.00 O ATOM 49 CB LEU A 173 9.785 3.919 -2.309 1.00 15.00 C ATOM 50 CG LEU A 173 8.365 3.653 -2.846 1.00 15.00 C ATOM 51 CD1 LEU A 173 8.254 2.279 -3.491 1.00 15.00 C ATOM 52 CD2 LEU A 173 7.338 3.796 -1.733 1.00 15.00 C ATOM 0 HA LEU A 173 9.339 3.193 -0.345 1.00 15.00 H new ATOM 0 HB2 LEU A 173 9.884 4.988 -2.120 1.00 15.00 H new ATOM 0 HB3 LEU A 173 10.499 3.667 -3.093 1.00 15.00 H new ATOM 0 HG LEU A 173 8.162 4.398 -3.615 1.00 15.00 H new ATOM 0 HD11 LEU A 173 7.238 2.130 -3.857 1.00 15.00 H new ATOM 0 HD12 LEU A 173 8.953 2.211 -4.324 1.00 15.00 H new ATOM 0 HD13 LEU A 173 8.491 1.511 -2.755 1.00 15.00 H new ATOM 0 HD21 LEU A 173 6.341 3.605 -2.131 1.00 15.00 H new ATOM 0 HD22 LEU A 173 7.557 3.079 -0.942 1.00 15.00 H new ATOM 0 HD23 LEU A 173 7.379 4.807 -1.328 1.00 15.00 H new ATOM 64 N PRO A 174 10.022 0.782 -0.483 1.00 15.00 N ATOM 65 CA PRO A 174 10.223 -0.659 -0.670 1.00 15.00 C ATOM 66 C PRO A 174 9.625 -1.149 -1.992 1.00 15.00 C ATOM 67 O PRO A 174 8.475 -0.850 -2.313 1.00 15.00 O ATOM 68 CB PRO A 174 9.507 -1.277 0.540 1.00 15.00 C ATOM 69 CG PRO A 174 9.425 -0.178 1.537 1.00 15.00 C ATOM 70 CD PRO A 174 9.250 1.072 0.730 1.00 15.00 C ATOM 0 HA PRO A 174 11.276 -0.935 -0.725 1.00 15.00 H new ATOM 0 HB2 PRO A 174 8.515 -1.640 0.269 1.00 15.00 H new ATOM 0 HB3 PRO A 174 10.061 -2.128 0.935 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.588 -0.327 2.219 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.328 -0.130 2.146 1.00 15.00 H new ATOM 0 HD2 PRO A 174 8.201 1.266 0.506 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.632 1.949 1.253 1.00 15.00 H new ATOM 78 N ALA A 175 10.397 -1.932 -2.736 1.00 15.00 N ATOM 79 CA ALA A 175 10.042 -2.274 -4.110 1.00 15.00 C ATOM 80 C ALA A 175 9.196 -3.542 -4.192 1.00 15.00 C ATOM 81 O ALA A 175 8.896 -4.027 -5.283 1.00 15.00 O ATOM 82 CB ALA A 175 11.305 -2.426 -4.943 1.00 15.00 C ATOM 0 H ALA A 175 11.273 -2.342 -2.412 1.00 15.00 H new ATOM 0 HA ALA A 175 9.435 -1.460 -4.507 1.00 15.00 H new ATOM 0 HB1 ALA A 175 11.036 -2.681 -5.968 1.00 15.00 H new ATOM 0 HB2 ALA A 175 11.860 -1.488 -4.936 1.00 15.00 H new ATOM 0 HB3 ALA A 175 11.925 -3.218 -4.523 1.00 15.00 H new ATOM 88 N GLY A 176 8.812 -4.073 -3.043 1.00 15.00 N ATOM 89 CA GLY A 176 7.886 -5.188 -3.016 1.00 15.00 C ATOM 90 C GLY A 176 6.492 -4.732 -2.638 1.00 15.00 C ATOM 91 O GLY A 176 5.597 -5.546 -2.392 1.00 15.00 O ATOM 0 H GLY A 176 9.124 -3.753 -2.126 1.00 15.00 H new ATOM 0 HA2 GLY A 176 7.862 -5.668 -3.994 1.00 15.00 H new ATOM 0 HA3 GLY A 176 8.233 -5.935 -2.303 1.00 15.00 H new ATOM 95 N TRP A 177 6.313 -3.418 -2.607 1.00 15.00 N ATOM 96 CA TRP A 177 5.081 -2.813 -2.126 1.00 15.00 C ATOM 97 C TRP A 177 4.405 -2.015 -3.240 1.00 15.00 C ATOM 98 O TRP A 177 5.067 -1.363 -4.050 1.00 15.00 O ATOM 99 CB TRP A 177 5.382 -1.916 -0.915 1.00 15.00 C ATOM 100 CG TRP A 177 6.006 -2.653 0.241 1.00 15.00 C ATOM 101 CD1 TRP A 177 7.186 -3.340 0.231 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.494 -2.768 1.574 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.437 -3.877 1.466 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.415 -3.541 2.308 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.351 -2.296 2.217 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.223 -3.849 3.651 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.160 -2.605 3.552 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.094 -3.375 4.253 1.00 15.00 C ATOM 0 H TRP A 177 7.016 -2.745 -2.914 1.00 15.00 H new ATOM 0 HA TRP A 177 4.395 -3.601 -1.816 1.00 15.00 H new ATOM 0 HB2 TRP A 177 6.050 -1.112 -1.226 1.00 15.00 H new ATOM 0 HB3 TRP A 177 4.456 -1.449 -0.580 1.00 15.00 H new ATOM 0 HD1 TRP A 177 7.831 -3.445 -0.629 1.00 15.00 H new ATOM 0 HE1 TRP A 177 8.253 -4.436 1.716 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.627 -1.699 1.682 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 6.942 -4.442 4.197 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.277 -2.247 4.060 1.00 15.00 H new ATOM 0 HH2 TRP A 177 4.917 -3.599 5.295 1.00 15.00 H new ATOM 119 N GLU A 178 3.085 -2.075 -3.267 1.00 15.00 N ATOM 120 CA GLU A 178 2.289 -1.422 -4.291 1.00 15.00 C ATOM 121 C GLU A 178 1.704 -0.122 -3.755 1.00 15.00 C ATOM 122 O GLU A 178 1.140 -0.099 -2.660 1.00 15.00 O ATOM 123 CB GLU A 178 1.157 -2.350 -4.737 1.00 15.00 C ATOM 124 CG GLU A 178 0.464 -1.886 -6.006 1.00 15.00 C ATOM 125 CD GLU A 178 1.413 -1.865 -7.185 1.00 15.00 C ATOM 126 OE1 GLU A 178 2.135 -0.861 -7.357 1.00 15.00 O ATOM 127 OE2 GLU A 178 1.465 -2.871 -7.924 1.00 15.00 O1- ATOM 0 H GLU A 178 2.532 -2.581 -2.575 1.00 15.00 H new ATOM 0 HA GLU A 178 2.930 -1.196 -5.143 1.00 15.00 H new ATOM 0 HB2 GLU A 178 1.558 -3.351 -4.896 1.00 15.00 H new ATOM 0 HB3 GLU A 178 0.421 -2.425 -3.936 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -0.375 -2.547 -6.225 1.00 15.00 H new ATOM 0 HG3 GLU A 178 0.052 -0.889 -5.852 1.00 15.00 H new ATOM 134 N MET A 179 1.811 0.945 -4.535 1.00 15.00 N ATOM 135 CA MET A 179 1.286 2.234 -4.116 1.00 15.00 C ATOM 136 C MET A 179 -0.157 2.390 -4.565 1.00 15.00 C ATOM 137 O MET A 179 -0.427 2.595 -5.748 1.00 15.00 O ATOM 138 CB MET A 179 2.098 3.396 -4.694 1.00 15.00 C ATOM 139 CG MET A 179 3.592 3.325 -4.437 1.00 15.00 C ATOM 140 SD MET A 179 4.024 3.636 -2.717 1.00 15.00 S ATOM 141 CE MET A 179 3.569 5.362 -2.574 1.00 15.00 C ATOM 0 H MET A 179 2.253 0.943 -5.454 1.00 15.00 H new ATOM 0 HA MET A 179 1.352 2.262 -3.028 1.00 15.00 H new ATOM 0 HB2 MET A 179 1.931 3.436 -5.770 1.00 15.00 H new ATOM 0 HB3 MET A 179 1.717 4.328 -4.278 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.959 2.340 -4.726 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.099 4.052 -5.071 1.00 15.00 H new ATOM 0 HE1 MET A 179 4.095 5.808 -1.730 1.00 15.00 H new ATOM 0 HE2 MET A 179 3.840 5.887 -3.490 1.00 15.00 H new ATOM 0 HE3 MET A 179 2.494 5.443 -2.415 1.00 15.00 H new ATOM 151 N ALA A 180 -1.082 2.265 -3.633 1.00 15.00 N ATOM 152 CA ALA A 180 -2.472 2.555 -3.913 1.00 15.00 C ATOM 153 C ALA A 180 -2.829 3.907 -3.321 1.00 15.00 C ATOM 154 O ALA A 180 -3.182 4.013 -2.144 1.00 15.00 O ATOM 155 CB ALA A 180 -3.378 1.463 -3.374 1.00 15.00 C ATOM 0 H ALA A 180 -0.895 1.965 -2.676 1.00 15.00 H new ATOM 0 HA ALA A 180 -2.620 2.589 -4.992 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -4.416 1.708 -3.599 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -3.120 0.513 -3.841 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -3.250 1.384 -2.295 1.00 15.00 H new ATOM 161 N LYS A 181 -2.688 4.944 -4.131 1.00 15.00 N ATOM 162 CA LYS A 181 -2.895 6.302 -3.668 1.00 15.00 C ATOM 163 C LYS A 181 -4.162 6.882 -4.280 1.00 15.00 C ATOM 164 O LYS A 181 -4.199 7.182 -5.473 1.00 15.00 O ATOM 165 CB LYS A 181 -1.695 7.182 -4.037 1.00 15.00 C ATOM 166 CG LYS A 181 -0.354 6.668 -3.521 1.00 15.00 C ATOM 167 CD LYS A 181 0.753 7.677 -3.780 1.00 15.00 C ATOM 168 CE LYS A 181 0.956 7.920 -5.269 1.00 15.00 C ATOM 169 NZ LYS A 181 1.959 8.986 -5.521 1.00 15.00 N1+ ATOM 0 H LYS A 181 -2.430 4.868 -5.115 1.00 15.00 H new ATOM 0 HA LYS A 181 -3.000 6.281 -2.583 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -1.644 7.269 -5.122 1.00 15.00 H new ATOM 0 HB3 LYS A 181 -1.861 8.185 -3.644 1.00 15.00 H new ATOM 0 HG2 LYS A 181 -0.425 6.467 -2.452 1.00 15.00 H new ATOM 0 HG3 LYS A 181 -0.111 5.723 -4.008 1.00 15.00 H new ATOM 0 HD2 LYS A 181 0.510 8.618 -3.287 1.00 15.00 H new ATOM 0 HD3 LYS A 181 1.683 7.318 -3.340 1.00 15.00 H new ATOM 0 HE2 LYS A 181 1.280 6.996 -5.748 1.00 15.00 H new ATOM 0 HE3 LYS A 181 0.006 8.199 -5.725 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 2.070 9.123 -6.546 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 1.638 9.874 -5.086 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 2.872 8.708 -5.108 1.00 15.00 H new ATOM 183 N THR A 182 -5.205 7.007 -3.475 1.00 15.00 N ATOM 184 CA THR A 182 -6.450 7.588 -3.944 1.00 15.00 C ATOM 185 C THR A 182 -6.549 9.045 -3.503 1.00 15.00 C ATOM 186 O THR A 182 -6.219 9.385 -2.359 1.00 15.00 O ATOM 187 CB THR A 182 -7.674 6.806 -3.427 1.00 15.00 C ATOM 188 OG1 THR A 182 -7.733 6.874 -2.000 1.00 15.00 O ATOM 189 CG2 THR A 182 -7.612 5.349 -3.865 1.00 15.00 C ATOM 0 H THR A 182 -5.213 6.715 -2.498 1.00 15.00 H new ATOM 0 HA THR A 182 -6.449 7.533 -5.033 1.00 15.00 H new ATOM 0 HB THR A 182 -8.570 7.260 -3.850 1.00 15.00 H new ATOM 0 HG1 THR A 182 -6.951 6.423 -1.618 1.00 15.00 H new ATOM 0 HG21 THR A 182 -8.486 4.818 -3.488 1.00 15.00 H new ATOM 0 HG22 THR A 182 -7.597 5.297 -4.954 1.00 15.00 H new ATOM 0 HG23 THR A 182 -6.708 4.888 -3.467 1.00 15.00 H new ATOM 197 N SER A 183 -7.024 9.897 -4.401 1.00 15.00 N ATOM 198 CA SER A 183 -7.090 11.329 -4.148 1.00 15.00 C ATOM 199 C SER A 183 -8.152 11.636 -3.093 1.00 15.00 C ATOM 200 O SER A 183 -8.192 12.734 -2.536 1.00 15.00 O ATOM 201 CB SER A 183 -7.385 12.082 -5.452 1.00 15.00 C ATOM 202 OG SER A 183 -7.244 13.484 -5.287 1.00 15.00 O ATOM 0 H SER A 183 -7.372 9.618 -5.318 1.00 15.00 H new ATOM 0 HA SER A 183 -6.125 11.664 -3.766 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.708 11.737 -6.234 1.00 15.00 H new ATOM 0 HB3 SER A 183 -8.398 11.854 -5.784 1.00 15.00 H new ATOM 0 HG SER A 183 -7.538 13.739 -4.388 1.00 15.00 H new ATOM 208 N SER A 184 -9.011 10.655 -2.826 1.00 15.00 N ATOM 209 CA SER A 184 -10.047 10.788 -1.813 1.00 15.00 C ATOM 210 C SER A 184 -9.433 10.875 -0.416 1.00 15.00 C ATOM 211 O SER A 184 -10.114 11.228 0.550 1.00 15.00 O ATOM 212 CB SER A 184 -11.027 9.613 -1.891 1.00 15.00 C ATOM 213 OG SER A 184 -12.139 9.812 -1.032 1.00 15.00 O ATOM 0 H SER A 184 -9.007 9.754 -3.303 1.00 15.00 H new ATOM 0 HA SER A 184 -10.593 11.711 -2.005 1.00 15.00 H new ATOM 0 HB2 SER A 184 -11.374 9.494 -2.917 1.00 15.00 H new ATOM 0 HB3 SER A 184 -10.515 8.690 -1.618 1.00 15.00 H new ATOM 0 HG SER A 184 -11.865 10.354 -0.263 1.00 15.00 H new ATOM 219 N GLY A 185 -8.156 10.518 -0.310 1.00 15.00 N ATOM 220 CA GLY A 185 -7.469 10.581 0.963 1.00 15.00 C ATOM 221 C GLY A 185 -7.225 9.212 1.563 1.00 15.00 C ATOM 222 O GLY A 185 -7.171 9.063 2.784 1.00 15.00 O ATOM 0 H GLY A 185 -7.585 10.185 -1.087 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -6.515 11.091 0.832 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -8.057 11.179 1.659 1.00 15.00 H new ATOM 226 N GLN A 186 -7.076 8.209 0.709 1.00 15.00 N ATOM 227 CA GLN A 186 -6.798 6.856 1.167 1.00 15.00 C ATOM 228 C GLN A 186 -5.539 6.328 0.500 1.00 15.00 C ATOM 229 O GLN A 186 -5.533 6.007 -0.688 1.00 15.00 O ATOM 230 CB GLN A 186 -7.990 5.931 0.892 1.00 15.00 C ATOM 231 CG GLN A 186 -9.204 6.243 1.751 1.00 15.00 C ATOM 232 CD GLN A 186 -10.467 5.530 1.294 1.00 15.00 C ATOM 233 OE1 GLN A 186 -11.572 6.033 1.487 1.00 15.00 O ATOM 234 NE2 GLN A 186 -10.320 4.368 0.677 1.00 15.00 N ATOM 0 H GLN A 186 -7.143 8.307 -0.304 1.00 15.00 H new ATOM 0 HA GLN A 186 -6.637 6.880 2.245 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -8.267 6.010 -0.159 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -7.687 4.898 1.065 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -8.991 5.964 2.783 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -9.379 7.319 1.742 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -9.387 3.981 0.534 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -11.140 3.860 0.344 1.00 15.00 H new ATOM 243 N ARG A 187 -4.463 6.286 1.261 1.00 15.00 N ATOM 244 CA ARG A 187 -3.193 5.800 0.759 1.00 15.00 C ATOM 245 C ARG A 187 -2.792 4.529 1.509 1.00 15.00 C ATOM 246 O ARG A 187 -2.492 4.579 2.701 1.00 15.00 O ATOM 247 CB ARG A 187 -2.113 6.885 0.892 1.00 15.00 C ATOM 248 CG ARG A 187 -1.991 7.472 2.293 1.00 15.00 C ATOM 249 CD ARG A 187 -1.084 8.694 2.323 1.00 15.00 C ATOM 250 NE ARG A 187 0.313 8.379 2.013 1.00 15.00 N ATOM 251 CZ ARG A 187 1.294 9.288 2.014 1.00 15.00 C ATOM 252 NH1 ARG A 187 1.036 10.552 2.321 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 2.538 8.934 1.724 1.00 15.00 N ATOM 0 H ARG A 187 -4.444 6.585 2.236 1.00 15.00 H new ATOM 0 HA ARG A 187 -3.295 5.559 -0.299 1.00 15.00 H new ATOM 0 HB2 ARG A 187 -1.151 6.463 0.601 1.00 15.00 H new ATOM 0 HB3 ARG A 187 -2.333 7.690 0.190 1.00 15.00 H new ATOM 0 HG2 ARG A 187 -2.981 7.746 2.658 1.00 15.00 H new ATOM 0 HG3 ARG A 187 -1.600 6.713 2.971 1.00 15.00 H new ATOM 0 HD2 ARG A 187 -1.452 9.430 1.608 1.00 15.00 H new ATOM 0 HD3 ARG A 187 -1.136 9.154 3.310 1.00 15.00 H new ATOM 0 HE ARG A 187 0.550 7.414 1.784 1.00 15.00 H new ATOM 0 HH11 ARG A 187 0.085 10.835 2.558 1.00 15.00 H new ATOM 0 HH12 ARG A 187 1.788 11.241 2.320 1.00 15.00 H new ATOM 0 HH21 ARG A 187 2.752 7.963 1.498 1.00 15.00 H new ATOM 0 HH22 ARG A 187 3.281 9.633 1.727 1.00 15.00 H new ATOM 267 N TYR A 188 -2.826 3.387 0.834 1.00 15.00 N ATOM 268 CA TYR A 188 -2.469 2.133 1.471 1.00 15.00 C ATOM 269 C TYR A 188 -1.518 1.346 0.587 1.00 15.00 C ATOM 270 O TYR A 188 -1.569 1.444 -0.641 1.00 15.00 O ATOM 271 CB TYR A 188 -3.722 1.304 1.801 1.00 15.00 C ATOM 272 CG TYR A 188 -4.594 0.958 0.611 1.00 15.00 C ATOM 273 CD1 TYR A 188 -4.348 -0.178 -0.150 1.00 15.00 C ATOM 274 CD2 TYR A 188 -5.676 1.758 0.260 1.00 15.00 C ATOM 275 CE1 TYR A 188 -5.151 -0.506 -1.222 1.00 15.00 C ATOM 276 CE2 TYR A 188 -6.478 1.438 -0.816 1.00 15.00 C ATOM 277 CZ TYR A 188 -6.212 0.308 -1.554 1.00 15.00 C ATOM 278 OH TYR A 188 -7.024 -0.025 -2.612 1.00 15.00 O ATOM 0 H TYR A 188 -3.095 3.306 -0.146 1.00 15.00 H new ATOM 0 HA TYR A 188 -1.963 2.358 2.410 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -3.410 0.378 2.285 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -4.323 1.855 2.525 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -3.513 -0.815 0.102 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -5.892 2.644 0.839 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -4.949 -1.397 -1.799 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -7.312 2.072 -1.078 1.00 15.00 H new ATOM 0 HH TYR A 188 -7.725 0.652 -2.712 1.00 15.00 H new ATOM 288 N PHE A 189 -0.664 0.559 1.212 1.00 15.00 N ATOM 289 CA PHE A 189 0.361 -0.166 0.492 1.00 15.00 C ATOM 290 C PHE A 189 0.070 -1.660 0.480 1.00 15.00 C ATOM 291 O PHE A 189 -0.233 -2.259 1.514 1.00 15.00 O ATOM 292 CB PHE A 189 1.731 0.101 1.119 1.00 15.00 C ATOM 293 CG PHE A 189 2.076 1.560 1.198 1.00 15.00 C ATOM 294 CD1 PHE A 189 2.082 2.335 0.054 1.00 15.00 C ATOM 295 CD2 PHE A 189 2.374 2.160 2.411 1.00 15.00 C ATOM 296 CE1 PHE A 189 2.382 3.680 0.109 1.00 15.00 C ATOM 297 CE2 PHE A 189 2.675 3.508 2.477 1.00 15.00 C ATOM 298 CZ PHE A 189 2.680 4.270 1.323 1.00 15.00 C ATOM 0 H PHE A 189 -0.661 0.406 2.220 1.00 15.00 H new ATOM 0 HA PHE A 189 0.366 0.185 -0.540 1.00 15.00 H new ATOM 0 HB2 PHE A 189 1.752 -0.325 2.122 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.495 -0.415 0.537 1.00 15.00 H new ATOM 0 HD1 PHE A 189 1.848 1.881 -0.897 1.00 15.00 H new ATOM 0 HD2 PHE A 189 2.371 1.568 3.315 1.00 15.00 H new ATOM 0 HE1 PHE A 189 2.384 4.271 -0.795 1.00 15.00 H new ATOM 0 HE2 PHE A 189 2.906 3.965 3.428 1.00 15.00 H new ATOM 0 HZ PHE A 189 2.916 5.323 1.370 1.00 15.00 H new ATOM 308 N LEU A 190 0.162 -2.252 -0.696 1.00 15.00 N ATOM 309 CA LEU A 190 0.039 -3.693 -0.842 1.00 15.00 C ATOM 310 C LEU A 190 1.397 -4.362 -0.705 1.00 15.00 C ATOM 311 O LEU A 190 2.363 -3.910 -1.305 1.00 15.00 O ATOM 312 CB LEU A 190 -0.521 -4.068 -2.215 1.00 15.00 C ATOM 313 CG LEU A 190 -2.037 -4.185 -2.344 1.00 15.00 C ATOM 314 CD1 LEU A 190 -2.358 -5.156 -3.471 1.00 15.00 C ATOM 315 CD2 LEU A 190 -2.668 -4.651 -1.040 1.00 15.00 C ATOM 0 H LEU A 190 0.323 -1.754 -1.571 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.639 -4.032 -0.059 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -0.178 -3.324 -2.934 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -0.083 -5.022 -2.509 1.00 15.00 H new ATOM 0 HG LEU A 190 -2.453 -3.204 -2.571 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -3.439 -5.249 -3.574 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -1.935 -4.783 -4.404 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -1.930 -6.132 -3.243 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -3.748 -4.724 -1.164 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.267 -5.628 -0.770 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.442 -3.935 -0.250 1.00 15.00 H new ATOM 327 N ASN A 191 1.491 -5.445 0.042 1.00 15.00 N ATOM 328 CA ASN A 191 2.698 -6.250 -0.002 1.00 15.00 C ATOM 329 C ASN A 191 2.491 -7.299 -1.068 1.00 15.00 C ATOM 330 O ASN A 191 1.703 -8.211 -0.862 1.00 15.00 O ATOM 331 CB ASN A 191 3.004 -6.954 1.329 1.00 15.00 C ATOM 332 CG ASN A 191 3.159 -6.026 2.526 1.00 15.00 C ATOM 333 OD1 ASN A 191 3.950 -6.297 3.426 1.00 15.00 O ATOM 334 ND2 ASN A 191 2.389 -4.952 2.569 1.00 15.00 N ATOM 0 H ASN A 191 0.765 -5.783 0.673 1.00 15.00 H new ATOM 0 HA ASN A 191 3.542 -5.593 -0.211 1.00 15.00 H new ATOM 0 HB2 ASN A 191 2.204 -7.664 1.540 1.00 15.00 H new ATOM 0 HB3 ASN A 191 3.921 -7.532 1.215 1.00 15.00 H new ATOM 0 HD21 ASN A 191 2.441 -4.319 3.367 1.00 15.00 H new ATOM 0 HD22 ASN A 191 1.743 -4.757 1.804 1.00 15.00 H new ATOM 341 N HIS A 192 3.156 -7.168 -2.211 1.00 15.00 N ATOM 342 CA HIS A 192 2.960 -8.120 -3.310 1.00 15.00 C ATOM 343 C HIS A 192 3.560 -9.478 -2.972 1.00 15.00 C ATOM 344 O HIS A 192 3.406 -10.442 -3.716 1.00 15.00 O ATOM 345 CB HIS A 192 3.579 -7.612 -4.613 1.00 15.00 C ATOM 346 CG HIS A 192 2.689 -6.712 -5.414 1.00 15.00 C ATOM 347 ND1 HIS A 192 1.562 -7.157 -6.075 1.00 15.00 N ATOM 348 CD2 HIS A 192 2.778 -5.390 -5.679 1.00 15.00 C ATOM 349 CE1 HIS A 192 1.002 -6.147 -6.710 1.00 15.00 C ATOM 350 NE2 HIS A 192 1.718 -5.064 -6.490 1.00 15.00 N ATOM 0 H HIS A 192 3.827 -6.425 -2.404 1.00 15.00 H new ATOM 0 HA HIS A 192 1.884 -8.223 -3.447 1.00 15.00 H new ATOM 0 HB2 HIS A 192 4.499 -7.077 -4.379 1.00 15.00 H new ATOM 0 HB3 HIS A 192 3.856 -8.469 -5.227 1.00 15.00 H new ATOM 0 HD2 HIS A 192 3.541 -4.715 -5.320 1.00 15.00 H new ATOM 0 HE1 HIS A 192 0.106 -6.199 -7.310 1.00 15.00 H new ATOM 0 HE2 HIS A 192 1.518 -4.135 -6.861 1.00 15.00 H new ATOM 359 N ILE A 193 4.248 -9.536 -1.846 1.00 15.00 N ATOM 360 CA ILE A 193 4.907 -10.754 -1.410 1.00 15.00 C ATOM 361 C ILE A 193 3.956 -11.580 -0.556 1.00 15.00 C ATOM 362 O ILE A 193 3.763 -12.773 -0.782 1.00 15.00 O ATOM 363 CB ILE A 193 6.167 -10.430 -0.581 1.00 15.00 C ATOM 364 CG1 ILE A 193 6.773 -9.095 -1.029 1.00 15.00 C ATOM 365 CG2 ILE A 193 7.189 -11.549 -0.711 1.00 15.00 C ATOM 366 CD1 ILE A 193 6.784 -8.044 0.059 1.00 15.00 C ATOM 0 H ILE A 193 4.365 -8.746 -1.212 1.00 15.00 H new ATOM 0 HA ILE A 193 5.198 -11.317 -2.297 1.00 15.00 H new ATOM 0 HB ILE A 193 5.880 -10.344 0.467 1.00 15.00 H new ATOM 0 HG12 ILE A 193 7.794 -9.265 -1.370 1.00 15.00 H new ATOM 0 HG13 ILE A 193 6.210 -8.717 -1.883 1.00 15.00 H new ATOM 0 HG21 ILE A 193 8.072 -11.306 -0.120 1.00 15.00 H new ATOM 0 HG22 ILE A 193 6.756 -12.481 -0.349 1.00 15.00 H new ATOM 0 HG23 ILE A 193 7.472 -11.663 -1.757 1.00 15.00 H new ATOM 0 HD11 ILE A 193 7.226 -7.125 -0.327 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.763 -7.846 0.384 1.00 15.00 H new ATOM 0 HD13 ILE A 193 7.371 -8.402 0.905 1.00 15.00 H new ATOM 378 N ASP A 194 3.358 -10.919 0.422 1.00 15.00 N ATOM 379 CA ASP A 194 2.430 -11.569 1.336 1.00 15.00 C ATOM 380 C ASP A 194 0.997 -11.434 0.831 1.00 15.00 C ATOM 381 O ASP A 194 0.092 -12.121 1.315 1.00 15.00 O ATOM 382 CB ASP A 194 2.534 -10.942 2.730 1.00 15.00 C ATOM 383 CG ASP A 194 3.898 -11.104 3.367 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.835 -10.378 2.974 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.037 -11.942 4.284 1.00 15.00 O1- ATOM 0 H ASP A 194 3.500 -9.926 0.605 1.00 15.00 H new ATOM 0 HA ASP A 194 2.692 -12.626 1.391 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.299 -9.880 2.660 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.783 -11.393 3.379 1.00 15.00 H new ATOM 390 N GLN A 195 0.810 -10.525 -0.129 1.00 15.00 N ATOM 391 CA GLN A 195 -0.509 -10.155 -0.651 1.00 15.00 C ATOM 392 C GLN A 195 -1.332 -9.514 0.461 1.00 15.00 C ATOM 393 O GLN A 195 -2.562 -9.585 0.478 1.00 15.00 O ATOM 394 CB GLN A 195 -1.220 -11.374 -1.248 1.00 15.00 C ATOM 395 CG GLN A 195 -2.179 -11.031 -2.381 1.00 15.00 C ATOM 396 CD GLN A 195 -1.487 -10.394 -3.580 1.00 15.00 C ATOM 397 OE1 GLN A 195 -0.481 -9.693 -3.448 1.00 15.00 O ATOM 398 NE2 GLN A 195 -2.016 -10.646 -4.767 1.00 15.00 N ATOM 0 H GLN A 195 1.578 -10.019 -0.571 1.00 15.00 H new ATOM 0 HA GLN A 195 -0.389 -9.429 -1.455 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -0.471 -12.075 -1.617 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -1.772 -11.884 -0.459 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -2.689 -11.938 -2.704 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -2.944 -10.351 -2.007 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -2.849 -11.230 -4.841 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -1.591 -10.256 -5.608 1.00 15.00 H new ATOM 407 N THR A 196 -0.626 -8.826 1.349 1.00 15.00 N ATOM 408 CA THR A 196 -1.232 -8.223 2.528 1.00 15.00 C ATOM 409 C THR A 196 -1.566 -6.754 2.313 1.00 15.00 C ATOM 410 O THR A 196 -0.897 -6.049 1.551 1.00 15.00 O ATOM 411 CB THR A 196 -0.312 -8.344 3.752 1.00 15.00 C ATOM 412 OG1 THR A 196 1.049 -8.156 3.360 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.472 -9.690 4.426 1.00 15.00 C ATOM 0 H THR A 196 0.379 -8.671 1.272 1.00 15.00 H new ATOM 0 HA THR A 196 -2.156 -8.772 2.707 1.00 15.00 H new ATOM 0 HB THR A 196 -0.595 -7.570 4.466 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.629 -8.233 4.146 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.192 -9.746 5.289 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.504 -9.812 4.754 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.219 -10.482 3.721 1.00 15.00 H new ATOM 421 N THR A 197 -2.604 -6.308 2.998 1.00 15.00 N ATOM 422 CA THR A 197 -3.056 -4.933 2.926 1.00 15.00 C ATOM 423 C THR A 197 -2.555 -4.127 4.130 1.00 15.00 C ATOM 424 O THR A 197 -2.930 -4.412 5.268 1.00 15.00 O ATOM 425 CB THR A 197 -4.594 -4.904 2.873 1.00 15.00 C ATOM 426 OG1 THR A 197 -5.132 -5.826 3.835 1.00 15.00 O ATOM 427 CG2 THR A 197 -5.098 -5.266 1.486 1.00 15.00 C ATOM 0 H THR A 197 -3.159 -6.894 3.622 1.00 15.00 H new ATOM 0 HA THR A 197 -2.649 -4.477 2.023 1.00 15.00 H new ATOM 0 HB THR A 197 -4.924 -3.892 3.108 1.00 15.00 H new ATOM 0 HG1 THR A 197 -4.630 -5.754 4.673 1.00 15.00 H new ATOM 0 HG21 THR A 197 -6.188 -5.238 1.476 1.00 15.00 H new ATOM 0 HG22 THR A 197 -4.710 -4.552 0.760 1.00 15.00 H new ATOM 0 HG23 THR A 197 -4.758 -6.269 1.226 1.00 15.00 H new ATOM 435 N THR A 198 -1.708 -3.132 3.882 1.00 15.00 N ATOM 436 CA THR A 198 -1.116 -2.344 4.961 1.00 15.00 C ATOM 437 C THR A 198 -1.528 -0.862 4.878 1.00 15.00 C ATOM 438 O THR A 198 -1.513 -0.272 3.797 1.00 15.00 O ATOM 439 CB THR A 198 0.424 -2.439 4.906 1.00 15.00 C ATOM 440 OG1 THR A 198 0.825 -3.809 4.769 1.00 15.00 O ATOM 441 CG2 THR A 198 1.060 -1.850 6.157 1.00 15.00 C ATOM 0 H THR A 198 -1.416 -2.852 2.946 1.00 15.00 H new ATOM 0 HA THR A 198 -1.485 -2.754 5.901 1.00 15.00 H new ATOM 0 HB THR A 198 0.763 -1.865 4.044 1.00 15.00 H new ATOM 0 HG1 THR A 198 1.699 -3.938 5.193 1.00 15.00 H new ATOM 0 HG21 THR A 198 2.145 -1.932 6.087 1.00 15.00 H new ATOM 0 HG22 THR A 198 0.781 -0.800 6.247 1.00 15.00 H new ATOM 0 HG23 THR A 198 0.711 -2.395 7.034 1.00 15.00 H new ATOM 449 N TRP A 199 -1.901 -0.269 6.017 1.00 15.00 N ATOM 450 CA TRP A 199 -2.207 1.168 6.077 1.00 15.00 C ATOM 451 C TRP A 199 -1.036 1.962 6.653 1.00 15.00 C ATOM 452 O TRP A 199 -1.049 3.194 6.649 1.00 15.00 O ATOM 453 CB TRP A 199 -3.437 1.439 6.951 1.00 15.00 C ATOM 454 CG TRP A 199 -4.754 1.140 6.308 1.00 15.00 C ATOM 455 CD1 TRP A 199 -5.565 0.075 6.569 1.00 15.00 C ATOM 456 CD2 TRP A 199 -5.428 1.927 5.317 1.00 15.00 C ATOM 457 NE1 TRP A 199 -6.702 0.152 5.803 1.00 15.00 N ATOM 458 CE2 TRP A 199 -6.640 1.277 5.024 1.00 15.00 C ATOM 459 CE3 TRP A 199 -5.125 3.120 4.650 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -7.546 1.779 4.090 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -6.026 3.614 3.724 1.00 15.00 C ATOM 462 CH2 TRP A 199 -7.224 2.944 3.453 1.00 15.00 C ATOM 0 H TRP A 199 -1.999 -0.757 6.907 1.00 15.00 H new ATOM 0 HA TRP A 199 -2.402 1.485 5.053 1.00 15.00 H new ATOM 0 HB2 TRP A 199 -3.353 0.847 7.862 1.00 15.00 H new ATOM 0 HB3 TRP A 199 -3.426 2.487 7.250 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -5.345 -0.713 7.274 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -7.469 -0.520 5.813 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -4.204 3.645 4.855 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -8.471 1.264 3.877 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -5.801 4.532 3.202 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -7.908 3.356 2.726 1.00 15.00 H new ATOM 473 N GLN A 200 -0.037 1.258 7.162 1.00 15.00 N ATOM 474 CA GLN A 200 1.041 1.897 7.904 1.00 15.00 C ATOM 475 C GLN A 200 2.291 2.049 7.054 1.00 15.00 C ATOM 476 O GLN A 200 2.566 1.223 6.182 1.00 15.00 O ATOM 477 CB GLN A 200 1.372 1.079 9.149 1.00 15.00 C ATOM 478 CG GLN A 200 0.204 0.924 10.107 1.00 15.00 C ATOM 479 CD GLN A 200 0.585 0.168 11.362 1.00 15.00 C ATOM 480 OE1 GLN A 200 1.731 0.235 11.819 1.00 15.00 O ATOM 481 NE2 GLN A 200 -0.365 -0.561 11.924 1.00 15.00 N ATOM 0 H GLN A 200 0.051 0.245 7.076 1.00 15.00 H new ATOM 0 HA GLN A 200 0.700 2.892 8.192 1.00 15.00 H new ATOM 0 HB2 GLN A 200 1.713 0.090 8.843 1.00 15.00 H new ATOM 0 HB3 GLN A 200 2.201 1.553 9.675 1.00 15.00 H new ATOM 0 HG2 GLN A 200 -0.172 1.910 10.380 1.00 15.00 H new ATOM 0 HG3 GLN A 200 -0.609 0.401 9.603 1.00 15.00 H new ATOM 0 HE21 GLN A 200 -1.298 -0.588 11.513 1.00 15.00 H new ATOM 0 HE22 GLN A 200 -0.164 -1.097 12.769 1.00 15.00 H new ATOM 490 N ASP A 201 3.056 3.097 7.340 1.00 15.00 N ATOM 491 CA ASP A 201 4.323 3.344 6.658 1.00 15.00 C ATOM 492 C ASP A 201 5.329 2.244 7.003 1.00 15.00 C ATOM 493 O ASP A 201 5.692 2.060 8.166 1.00 15.00 O ATOM 494 CB ASP A 201 4.885 4.713 7.062 1.00 15.00 C ATOM 495 CG ASP A 201 6.094 5.126 6.242 1.00 15.00 C ATOM 496 OD1 ASP A 201 7.164 4.493 6.373 1.00 15.00 O ATOM 497 OD2 ASP A 201 5.984 6.096 5.464 1.00 15.00 O1- ATOM 0 H ASP A 201 2.819 3.795 8.045 1.00 15.00 H new ATOM 0 HA ASP A 201 4.147 3.339 5.582 1.00 15.00 H new ATOM 0 HB2 ASP A 201 4.105 5.466 6.952 1.00 15.00 H new ATOM 0 HB3 ASP A 201 5.160 4.690 8.117 1.00 15.00 H new ATOM 502 N PRO A 202 5.784 1.487 5.996 1.00 15.00 N ATOM 503 CA PRO A 202 6.696 0.363 6.202 1.00 15.00 C ATOM 504 C PRO A 202 8.103 0.782 6.637 1.00 15.00 C ATOM 505 O PRO A 202 8.888 -0.053 7.089 1.00 15.00 O ATOM 506 CB PRO A 202 6.734 -0.346 4.848 1.00 15.00 C ATOM 507 CG PRO A 202 6.267 0.654 3.847 1.00 15.00 C ATOM 508 CD PRO A 202 5.411 1.652 4.581 1.00 15.00 C ATOM 0 HA PRO A 202 6.345 -0.271 7.016 1.00 15.00 H new ATOM 0 HB2 PRO A 202 7.742 -0.689 4.616 1.00 15.00 H new ATOM 0 HB3 PRO A 202 6.090 -1.226 4.850 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.115 1.149 3.373 1.00 15.00 H new ATOM 0 HG3 PRO A 202 5.698 0.168 3.054 1.00 15.00 H new ATOM 0 HD2 PRO A 202 5.602 2.668 4.236 1.00 15.00 H new ATOM 0 HD3 PRO A 202 4.350 1.456 4.425 1.00 15.00 H new ATOM 601 N TYR B 203 -5.427 -1.839 -9.140 1.00 15.00 N ATOM 602 CA TYR B 203 -6.273 -1.323 -8.077 1.00 15.00 C ATOM 603 C TYR B 203 -7.022 -2.455 -7.378 1.00 15.00 C ATOM 604 O TYR B 203 -7.787 -3.182 -8.012 1.00 15.00 O ATOM 605 CB TYR B 203 -7.265 -0.319 -8.673 1.00 15.00 C ATOM 606 CG TYR B 203 -8.021 0.496 -7.649 1.00 15.00 C ATOM 607 CD1 TYR B 203 -7.483 1.673 -7.144 1.00 15.00 C ATOM 608 CD2 TYR B 203 -9.270 0.095 -7.196 1.00 15.00 C ATOM 609 CE1 TYR B 203 -8.168 2.425 -6.211 1.00 15.00 C ATOM 610 CE2 TYR B 203 -9.960 0.842 -6.266 1.00 15.00 C ATOM 611 CZ TYR B 203 -9.405 2.005 -5.777 1.00 15.00 C ATOM 612 OH TYR B 203 -10.093 2.750 -4.851 1.00 15.00 O ATOM 0 HA TYR B 203 -5.649 -0.828 -7.333 1.00 15.00 H new ATOM 0 HB2 TYR B 203 -6.724 0.360 -9.332 1.00 15.00 H new ATOM 0 HB3 TYR B 203 -7.982 -0.859 -9.291 1.00 15.00 H new ATOM 0 HD1 TYR B 203 -6.514 2.005 -7.487 1.00 15.00 H new ATOM 0 HD2 TYR B 203 -9.708 -0.816 -7.578 1.00 15.00 H new ATOM 0 HE1 TYR B 203 -7.737 3.336 -5.824 1.00 15.00 H new ATOM 0 HE2 TYR B 203 -10.931 0.518 -5.922 1.00 15.00 H new ATOM 0 HH TYR B 203 -10.949 2.316 -4.653 1.00 15.00 H new ATOM 622 N PRO B 204 -6.787 -2.642 -6.069 1.00 15.00 N ATOM 623 CA PRO B 204 -7.529 -3.617 -5.275 1.00 15.00 C ATOM 624 C PRO B 204 -8.920 -3.105 -4.865 1.00 15.00 C ATOM 625 O PRO B 204 -9.724 -2.724 -5.716 1.00 15.00 O ATOM 626 CB PRO B 204 -6.636 -3.852 -4.052 1.00 15.00 C ATOM 627 CG PRO B 204 -5.712 -2.679 -3.966 1.00 15.00 C ATOM 628 CD PRO B 204 -5.760 -1.940 -5.281 1.00 15.00 C ATOM 0 HA PRO B 204 -7.730 -4.530 -5.836 1.00 15.00 H new ATOM 0 HB2 PRO B 204 -7.235 -3.940 -3.146 1.00 15.00 H new ATOM 0 HB3 PRO B 204 -6.075 -4.781 -4.155 1.00 15.00 H new ATOM 0 HG2 PRO B 204 -6.009 -2.021 -3.150 1.00 15.00 H new ATOM 0 HG3 PRO B 204 -4.696 -3.011 -3.754 1.00 15.00 H new ATOM 0 HD2 PRO B 204 -6.020 -0.891 -5.136 1.00 15.00 H new ATOM 0 HD3 PRO B 204 -4.793 -1.962 -5.783 1.00 15.00 H new ATOM 636 N HIS B 205 -9.213 -3.130 -3.569 1.00 15.00 N ATOM 637 CA HIS B 205 -10.515 -2.690 -3.060 1.00 15.00 C ATOM 638 C HIS B 205 -10.355 -2.126 -1.646 1.00 15.00 C ATOM 639 O HIS B 205 -11.312 -2.061 -0.874 1.00 15.00 O ATOM 640 CB HIS B 205 -11.503 -3.872 -3.082 1.00 15.00 C ATOM 641 CG HIS B 205 -12.893 -3.535 -2.627 1.00 15.00 C ATOM 642 ND1 HIS B 205 -13.531 -2.354 -2.946 1.00 15.00 N ATOM 643 CD2 HIS B 205 -13.759 -4.227 -1.850 1.00 15.00 C ATOM 644 CE1 HIS B 205 -14.724 -2.338 -2.385 1.00 15.00 C ATOM 645 NE2 HIS B 205 -14.889 -3.460 -1.712 1.00 15.00 N ATOM 0 H HIS B 205 -8.567 -3.450 -2.847 1.00 15.00 H new ATOM 0 HA HIS B 205 -10.913 -1.899 -3.696 1.00 15.00 H new ATOM 0 HB2 HIS B 205 -11.553 -4.267 -4.097 1.00 15.00 H new ATOM 0 HB3 HIS B 205 -11.111 -4.668 -2.449 1.00 15.00 H new ATOM 0 HD2 HIS B 205 -13.592 -5.203 -1.418 1.00 15.00 H new ATOM 0 HE1 HIS B 205 -15.446 -1.539 -2.464 1.00 15.00 H new ATOM 0 HE2 HIS B 205 -15.719 -3.716 -1.177 1.00 15.00 H new