USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 297 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= 0.633 K(o=1.1,f=-5.1!) USER MOD Set 1.2: A 198 THR OG1 : rot 122:sc= 0.496 USER MOD Set 2.1: A 182 THR OG1 : rot 111:sc= -1.71! USER MOD Set 2.2: A 184 SER OG : rot 180:sc= 1.11 USER MOD Set 2.3: A 186 GLN :FLIP amide:sc= -0.105 F(o=-2.3!,f=-0.7) USER MOD Single : A 179 MET CE :methyl 168:sc= -5.68! (180deg=-6.68!) USER MOD Single : A 181 LYS NZ :NH3+ 168:sc=-0.00616 (180deg=-0.124) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 120:sc= -1.21 USER MOD Single : A 192 HIS : no HD1:sc= -1.21! C(o=-1.2!,f=-6!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= -1.04! C(o=-5.2!,f=-1!) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.555 3.391 5.166 1.00 15.00 N ATOM 46 CA LEU A 173 8.366 3.805 4.446 1.00 15.00 C ATOM 47 C LEU A 173 8.733 4.804 3.354 1.00 15.00 C ATOM 48 O LEU A 173 9.072 5.951 3.646 1.00 15.00 O ATOM 49 CB LEU A 173 7.338 4.419 5.403 1.00 15.00 C ATOM 50 CG LEU A 173 6.860 3.508 6.545 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.909 4.265 7.455 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.180 2.258 6.002 1.00 15.00 C ATOM 0 HA LEU A 173 7.920 2.924 3.983 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.768 5.321 5.839 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.469 4.729 4.823 1.00 15.00 H new ATOM 0 HG LEU A 173 7.733 3.198 7.119 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.577 3.610 8.260 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.421 5.129 7.878 1.00 15.00 H new ATOM 0 HD13 LEU A 173 5.045 4.600 6.881 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.852 1.632 6.832 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.317 2.545 5.401 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.883 1.701 5.383 1.00 15.00 H new ATOM 64 N PRO A 174 8.722 4.359 2.087 1.00 15.00 N ATOM 65 CA PRO A 174 8.996 5.222 0.929 1.00 15.00 C ATOM 66 C PRO A 174 8.018 6.396 0.838 1.00 15.00 C ATOM 67 O PRO A 174 6.862 6.297 1.261 1.00 15.00 O ATOM 68 CB PRO A 174 8.826 4.275 -0.269 1.00 15.00 C ATOM 69 CG PRO A 174 9.018 2.911 0.289 1.00 15.00 C ATOM 70 CD PRO A 174 8.465 2.967 1.681 1.00 15.00 C ATOM 0 HA PRO A 174 9.983 5.682 0.983 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.839 4.382 -0.720 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.557 4.489 -1.048 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.497 2.165 -0.311 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.072 2.635 0.296 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.401 2.731 1.702 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.962 2.256 2.341 1.00 15.00 H new ATOM 78 N ALA A 175 8.478 7.495 0.253 1.00 15.00 N ATOM 79 CA ALA A 175 7.678 8.709 0.174 1.00 15.00 C ATOM 80 C ALA A 175 6.836 8.726 -1.097 1.00 15.00 C ATOM 81 O ALA A 175 7.322 8.407 -2.187 1.00 15.00 O ATOM 82 CB ALA A 175 8.574 9.938 0.240 1.00 15.00 C ATOM 0 H ALA A 175 9.401 7.570 -0.174 1.00 15.00 H new ATOM 0 HA ALA A 175 6.999 8.727 1.027 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.962 10.838 0.180 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.125 9.936 1.180 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.277 9.921 -0.593 1.00 15.00 H new ATOM 88 N GLY A 176 5.577 9.110 -0.942 1.00 15.00 N ATOM 89 CA GLY A 176 4.627 9.062 -2.038 1.00 15.00 C ATOM 90 C GLY A 176 3.913 7.731 -2.080 1.00 15.00 C ATOM 91 O GLY A 176 3.246 7.387 -3.062 1.00 15.00 O ATOM 0 H GLY A 176 5.191 9.459 -0.064 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.899 9.866 -1.928 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.146 9.230 -2.981 1.00 15.00 H new ATOM 95 N TRP A 177 4.031 6.995 -0.985 1.00 15.00 N ATOM 96 CA TRP A 177 3.420 5.684 -0.858 1.00 15.00 C ATOM 97 C TRP A 177 2.460 5.664 0.328 1.00 15.00 C ATOM 98 O TRP A 177 2.703 6.308 1.351 1.00 15.00 O ATOM 99 CB TRP A 177 4.497 4.607 -0.670 1.00 15.00 C ATOM 100 CG TRP A 177 5.358 4.376 -1.877 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.392 5.151 -2.307 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.277 3.276 -2.788 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.950 4.611 -3.440 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.284 3.458 -3.754 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.449 2.158 -2.884 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.483 2.560 -4.800 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.648 1.268 -3.919 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.659 1.473 -4.865 1.00 15.00 C ATOM 0 H TRP A 177 4.553 7.291 -0.161 1.00 15.00 H new ATOM 0 HA TRP A 177 2.865 5.472 -1.772 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.135 4.890 0.168 1.00 15.00 H new ATOM 0 HB3 TRP A 177 4.012 3.669 -0.399 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.725 6.059 -1.827 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.733 5.005 -3.962 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.665 1.992 -2.160 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.261 2.718 -5.533 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.013 0.398 -4.001 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.790 0.757 -5.663 1.00 15.00 H new ATOM 119 N GLU A 178 1.376 4.923 0.185 1.00 15.00 N ATOM 120 CA GLU A 178 0.400 4.774 1.248 1.00 15.00 C ATOM 121 C GLU A 178 0.664 3.474 1.990 1.00 15.00 C ATOM 122 O GLU A 178 0.539 2.393 1.417 1.00 15.00 O ATOM 123 CB GLU A 178 -1.017 4.791 0.674 1.00 15.00 C ATOM 124 CG GLU A 178 -2.099 4.946 1.727 1.00 15.00 C ATOM 125 CD GLU A 178 -1.891 6.187 2.569 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.165 6.112 3.581 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -2.428 7.253 2.203 1.00 15.00 O ATOM 0 H GLU A 178 1.149 4.410 -0.667 1.00 15.00 H new ATOM 0 HA GLU A 178 0.490 5.607 1.945 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.100 5.608 -0.042 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.188 3.866 0.123 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.074 4.995 1.242 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.108 4.067 2.371 1.00 15.00 H new ATOM 134 N MET A 179 1.035 3.587 3.256 1.00 15.00 N ATOM 135 CA MET A 179 1.509 2.437 4.009 1.00 15.00 C ATOM 136 C MET A 179 0.467 1.982 5.017 1.00 15.00 C ATOM 137 O MET A 179 0.256 2.644 6.033 1.00 15.00 O ATOM 138 CB MET A 179 2.810 2.781 4.754 1.00 15.00 C ATOM 139 CG MET A 179 3.681 3.808 4.045 1.00 15.00 C ATOM 140 SD MET A 179 4.192 3.296 2.394 1.00 15.00 S ATOM 141 CE MET A 179 5.361 1.999 2.773 1.00 15.00 C ATOM 0 H MET A 179 1.017 4.461 3.782 1.00 15.00 H new ATOM 0 HA MET A 179 1.696 1.631 3.299 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.559 3.157 5.746 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.387 1.867 4.896 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.135 4.749 3.973 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.568 4.000 4.649 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.599 1.447 1.864 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.272 2.438 3.180 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.926 1.320 3.506 1.00 15.00 H new ATOM 151 N ALA A 180 -0.190 0.862 4.747 1.00 15.00 N ATOM 152 CA ALA A 180 -1.137 0.309 5.707 1.00 15.00 C ATOM 153 C ALA A 180 -1.177 -1.205 5.614 1.00 15.00 C ATOM 154 O ALA A 180 -1.024 -1.778 4.536 1.00 15.00 O ATOM 155 CB ALA A 180 -2.525 0.899 5.518 1.00 15.00 C ATOM 0 H ALA A 180 -0.088 0.325 3.886 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.794 0.581 6.705 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.207 0.466 6.249 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.483 1.979 5.656 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.881 0.676 4.512 1.00 15.00 H new ATOM 161 N LYS A 181 -1.361 -1.845 6.755 1.00 15.00 N ATOM 162 CA LYS A 181 -1.367 -3.294 6.830 1.00 15.00 C ATOM 163 C LYS A 181 -2.538 -3.749 7.688 1.00 15.00 C ATOM 164 O LYS A 181 -2.760 -3.217 8.777 1.00 15.00 O ATOM 165 CB LYS A 181 -0.040 -3.793 7.417 1.00 15.00 C ATOM 166 CG LYS A 181 1.181 -3.199 6.729 1.00 15.00 C ATOM 167 CD LYS A 181 2.481 -3.774 7.261 1.00 15.00 C ATOM 168 CE LYS A 181 3.684 -3.078 6.642 1.00 15.00 C ATOM 169 NZ LYS A 181 3.822 -1.674 7.116 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.509 -1.378 7.650 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.478 -3.713 5.830 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -0.005 -3.549 8.479 1.00 15.00 H new ATOM 0 HB3 LYS A 181 -0.001 -4.879 7.338 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.117 -3.384 5.657 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.182 -2.118 6.866 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.513 -3.666 8.345 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.525 -4.842 7.046 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.589 -3.634 6.886 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.588 -3.086 5.556 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.753 -1.303 6.837 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.074 -1.089 6.691 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.735 -1.647 8.152 1.00 15.00 H new ATOM 183 N THR A 182 -3.273 -4.737 7.206 1.00 15.00 N ATOM 184 CA THR A 182 -4.463 -5.204 7.895 1.00 15.00 C ATOM 185 C THR A 182 -4.113 -6.315 8.876 1.00 15.00 C ATOM 186 O THR A 182 -3.170 -7.083 8.643 1.00 15.00 O ATOM 187 CB THR A 182 -5.511 -5.737 6.900 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.973 -6.847 6.182 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.931 -4.660 5.915 1.00 15.00 C ATOM 0 H THR A 182 -3.066 -5.232 6.338 1.00 15.00 H new ATOM 0 HA THR A 182 -4.880 -4.352 8.433 1.00 15.00 H new ATOM 0 HB THR A 182 -6.388 -6.049 7.468 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.437 -7.667 6.452 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.671 -5.066 5.226 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.363 -3.819 6.458 1.00 15.00 H new ATOM 0 HG23 THR A 182 -5.060 -4.321 5.354 1.00 15.00 H new ATOM 197 N SER A 183 -4.889 -6.408 9.956 1.00 15.00 N ATOM 198 CA SER A 183 -4.669 -7.409 10.992 1.00 15.00 C ATOM 199 C SER A 183 -4.923 -8.821 10.454 1.00 15.00 C ATOM 200 O SER A 183 -4.541 -9.813 11.072 1.00 15.00 O ATOM 201 CB SER A 183 -5.568 -7.125 12.197 1.00 15.00 C ATOM 202 OG SER A 183 -5.355 -5.811 12.692 1.00 15.00 O ATOM 0 H SER A 183 -5.683 -5.793 10.134 1.00 15.00 H new ATOM 0 HA SER A 183 -3.627 -7.353 11.308 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.613 -7.245 11.912 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.367 -7.851 12.985 1.00 15.00 H new ATOM 0 HG SER A 183 -5.942 -5.652 13.461 1.00 15.00 H new ATOM 208 N SER A 184 -5.579 -8.891 9.301 1.00 15.00 N ATOM 209 CA SER A 184 -5.785 -10.148 8.590 1.00 15.00 C ATOM 210 C SER A 184 -4.467 -10.654 8.001 1.00 15.00 C ATOM 211 O SER A 184 -4.354 -11.810 7.587 1.00 15.00 O ATOM 212 CB SER A 184 -6.833 -9.967 7.492 1.00 15.00 C ATOM 213 OG SER A 184 -6.615 -8.761 6.781 1.00 15.00 O ATOM 0 H SER A 184 -5.983 -8.079 8.833 1.00 15.00 H new ATOM 0 HA SER A 184 -6.149 -10.893 9.297 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.795 -10.812 6.804 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.830 -9.959 7.933 1.00 15.00 H new ATOM 0 HG SER A 184 -7.295 -8.666 6.082 1.00 15.00 H new ATOM 219 N GLY A 185 -3.477 -9.771 7.967 1.00 15.00 N ATOM 220 CA GLY A 185 -2.200 -10.091 7.369 1.00 15.00 C ATOM 221 C GLY A 185 -2.147 -9.738 5.897 1.00 15.00 C ATOM 222 O GLY A 185 -1.741 -10.549 5.064 1.00 15.00 O ATOM 0 H GLY A 185 -3.540 -8.827 8.349 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.410 -9.556 7.897 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.001 -11.156 7.492 1.00 15.00 H new ATOM 226 N GLN A 186 -2.549 -8.514 5.583 1.00 15.00 N ATOM 227 CA GLN A 186 -2.424 -7.988 4.229 1.00 15.00 C ATOM 228 C GLN A 186 -1.613 -6.704 4.234 1.00 15.00 C ATOM 229 O GLN A 186 -2.042 -5.685 4.779 1.00 15.00 O ATOM 230 CB GLN A 186 -3.792 -7.728 3.593 1.00 15.00 C ATOM 231 CG GLN A 186 -4.462 -8.974 3.040 1.00 15.00 C ATOM 232 CD GLN A 186 -5.918 -8.746 2.686 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.572 -7.855 3.416 1.00 15.00 O flip ATOM 234 NE2 GLN A 186 -6.452 -9.368 1.768 1.00 15.00 N flip ATOM 0 H GLN A 186 -2.966 -7.864 6.250 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.910 -8.743 3.633 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.447 -7.275 4.337 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.675 -7.003 2.788 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.924 -9.307 2.152 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.392 -9.776 3.775 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.912 -10.046 1.230 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.434 -9.205 1.545 1.00 15.00 H new ATOM 243 N ARG A 187 -0.427 -6.770 3.657 1.00 15.00 N ATOM 244 CA ARG A 187 0.425 -5.603 3.526 1.00 15.00 C ATOM 245 C ARG A 187 0.253 -4.995 2.136 1.00 15.00 C ATOM 246 O ARG A 187 0.615 -5.613 1.135 1.00 15.00 O ATOM 247 CB ARG A 187 1.897 -5.977 3.778 1.00 15.00 C ATOM 248 CG ARG A 187 2.420 -7.078 2.866 1.00 15.00 C ATOM 249 CD ARG A 187 3.735 -7.656 3.361 1.00 15.00 C ATOM 250 NE ARG A 187 4.851 -6.711 3.269 1.00 15.00 N ATOM 251 CZ ARG A 187 6.056 -6.958 3.785 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.255 -8.070 4.481 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.054 -6.095 3.632 1.00 15.00 N ATOM 0 H ARG A 187 -0.030 -7.626 3.269 1.00 15.00 H new ATOM 0 HA ARG A 187 0.133 -4.864 4.273 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.514 -5.088 3.649 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.008 -6.294 4.815 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.678 -7.874 2.797 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.555 -6.681 1.860 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.619 -7.971 4.398 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.974 -8.548 2.782 1.00 15.00 H new ATOM 0 HE ARG A 187 4.700 -5.824 2.789 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.489 -8.729 4.619 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.174 -8.265 4.878 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.905 -5.229 3.114 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.970 -6.298 4.033 1.00 15.00 H new ATOM 267 N TYR A 188 -0.336 -3.810 2.055 1.00 15.00 N ATOM 268 CA TYR A 188 -0.500 -3.154 0.773 1.00 15.00 C ATOM 269 C TYR A 188 0.110 -1.765 0.816 1.00 15.00 C ATOM 270 O TYR A 188 0.123 -1.094 1.860 1.00 15.00 O ATOM 271 CB TYR A 188 -1.983 -3.087 0.366 1.00 15.00 C ATOM 272 CG TYR A 188 -2.867 -2.352 1.348 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.788 -0.972 1.494 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.778 -3.042 2.128 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.585 -0.306 2.398 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.586 -2.380 3.032 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.483 -1.014 3.167 1.00 15.00 C ATOM 278 OH TYR A 188 -5.281 -0.355 4.074 1.00 15.00 O ATOM 0 H TYR A 188 -0.703 -3.291 2.853 1.00 15.00 H new ATOM 0 HA TYR A 188 0.022 -3.743 0.019 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.059 -2.601 -0.607 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.360 -4.102 0.245 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.090 -0.413 0.888 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.859 -4.114 2.029 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.507 0.766 2.504 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.296 -2.932 3.630 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.223 -0.501 3.848 1.00 15.00 H new ATOM 288 N PHE A 189 0.619 -1.345 -0.322 1.00 15.00 N ATOM 289 CA PHE A 189 1.201 -0.031 -0.458 1.00 15.00 C ATOM 290 C PHE A 189 0.630 0.649 -1.695 1.00 15.00 C ATOM 291 O PHE A 189 0.680 0.099 -2.791 1.00 15.00 O ATOM 292 CB PHE A 189 2.726 -0.136 -0.559 1.00 15.00 C ATOM 293 CG PHE A 189 3.354 -0.963 0.529 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.509 -0.444 1.798 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.792 -2.252 0.281 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.087 -1.188 2.806 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.373 -3.004 1.284 1.00 15.00 C ATOM 298 CZ PHE A 189 4.521 -2.470 2.550 1.00 15.00 C ATOM 0 H PHE A 189 0.640 -1.904 -1.175 1.00 15.00 H new ATOM 0 HA PHE A 189 0.957 0.566 0.421 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.987 -0.567 -1.526 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.152 0.867 -0.531 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.172 0.561 2.006 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.679 -2.674 -0.706 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.199 -0.766 3.794 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.711 -4.009 1.079 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.975 -3.056 3.336 1.00 15.00 H new ATOM 308 N LEU A 190 0.076 1.833 -1.517 1.00 15.00 N ATOM 309 CA LEU A 190 -0.447 2.602 -2.640 1.00 15.00 C ATOM 310 C LEU A 190 0.625 3.502 -3.222 1.00 15.00 C ATOM 311 O LEU A 190 1.382 4.118 -2.483 1.00 15.00 O ATOM 312 CB LEU A 190 -1.592 3.519 -2.208 1.00 15.00 C ATOM 313 CG LEU A 190 -3.010 2.966 -2.274 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.975 4.137 -2.419 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.177 2.002 -3.440 1.00 15.00 C ATOM 0 H LEU A 190 -0.025 2.286 -0.609 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.794 1.873 -3.372 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.402 3.831 -1.181 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.554 4.416 -2.826 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.220 2.410 -1.360 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.997 3.762 -2.468 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.873 4.801 -1.561 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.746 4.686 -3.332 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.200 1.626 -3.458 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.965 2.521 -4.375 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.486 1.167 -3.324 1.00 15.00 H new ATOM 327 N ASN A 191 0.674 3.625 -4.534 1.00 15.00 N ATOM 328 CA ASN A 191 1.443 4.692 -5.125 1.00 15.00 C ATOM 329 C ASN A 191 0.524 5.885 -5.275 1.00 15.00 C ATOM 330 O ASN A 191 -0.296 5.911 -6.198 1.00 15.00 O ATOM 331 CB ASN A 191 2.021 4.331 -6.497 1.00 15.00 C ATOM 332 CG ASN A 191 2.864 3.073 -6.507 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.567 2.100 -5.818 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.920 3.083 -7.304 1.00 15.00 N ATOM 0 H ASN A 191 0.200 3.011 -5.196 1.00 15.00 H new ATOM 0 HA ASN A 191 2.292 4.900 -4.474 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.200 4.210 -7.204 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.628 5.164 -6.853 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.522 2.262 -7.363 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.132 3.912 -7.860 1.00 15.00 H new ATOM 341 N HIS A 192 0.627 6.844 -4.348 1.00 15.00 N ATOM 342 CA HIS A 192 -0.225 8.040 -4.374 1.00 15.00 C ATOM 343 C HIS A 192 0.126 8.913 -5.575 1.00 15.00 C ATOM 344 O HIS A 192 -0.551 9.896 -5.863 1.00 15.00 O ATOM 345 CB HIS A 192 -0.083 8.871 -3.087 1.00 15.00 C ATOM 346 CG HIS A 192 -1.138 8.608 -2.044 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.352 9.267 -2.002 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.138 7.779 -0.976 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.043 8.854 -0.961 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.334 7.952 -0.317 1.00 15.00 N ATOM 0 H HIS A 192 1.289 6.816 -3.573 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.257 7.699 -4.451 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.896 8.674 -2.651 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.108 9.929 -3.350 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.344 7.104 -0.692 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.028 9.198 -0.682 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.623 7.462 0.530 1.00 15.00 H new ATOM 359 N ILE A 193 1.210 8.556 -6.249 1.00 15.00 N ATOM 360 CA ILE A 193 1.655 9.276 -7.431 1.00 15.00 C ATOM 361 C ILE A 193 1.237 8.532 -8.700 1.00 15.00 C ATOM 362 O ILE A 193 0.819 9.140 -9.687 1.00 15.00 O ATOM 363 CB ILE A 193 3.190 9.453 -7.427 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.649 10.072 -6.104 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.636 10.321 -8.597 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.153 10.173 -5.960 1.00 15.00 C ATOM 0 H ILE A 193 1.801 7.765 -5.994 1.00 15.00 H new ATOM 0 HA ILE A 193 1.185 10.260 -7.415 1.00 15.00 H new ATOM 0 HB ILE A 193 3.649 8.470 -7.534 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.218 11.069 -6.012 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.255 9.477 -5.280 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.720 10.433 -8.575 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.339 9.850 -9.534 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.169 11.303 -8.521 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.397 10.622 -4.997 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.592 9.177 -6.018 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.554 10.793 -6.761 1.00 15.00 H new ATOM 378 N ASP A 194 1.332 7.206 -8.658 1.00 15.00 N ATOM 379 CA ASP A 194 1.054 6.376 -9.828 1.00 15.00 C ATOM 380 C ASP A 194 -0.413 5.982 -9.913 1.00 15.00 C ATOM 381 O ASP A 194 -0.868 5.520 -10.961 1.00 15.00 O ATOM 382 CB ASP A 194 1.895 5.097 -9.814 1.00 15.00 C ATOM 383 CG ASP A 194 3.377 5.344 -9.968 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.839 5.490 -11.117 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.093 5.361 -8.943 1.00 15.00 O1- ATOM 0 H ASP A 194 1.600 6.682 -7.825 1.00 15.00 H new ATOM 0 HA ASP A 194 1.313 6.982 -10.696 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.719 4.567 -8.878 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.559 4.443 -10.618 1.00 15.00 H new ATOM 390 N GLN A 195 -1.136 6.136 -8.801 1.00 15.00 N ATOM 391 CA GLN A 195 -2.535 5.707 -8.709 1.00 15.00 C ATOM 392 C GLN A 195 -2.607 4.183 -8.775 1.00 15.00 C ATOM 393 O GLN A 195 -3.592 3.607 -9.234 1.00 15.00 O ATOM 394 CB GLN A 195 -3.367 6.339 -9.839 1.00 15.00 C ATOM 395 CG GLN A 195 -4.868 6.182 -9.660 1.00 15.00 C ATOM 396 CD GLN A 195 -5.657 6.580 -10.883 1.00 15.00 C ATOM 397 OE1 GLN A 195 -6.013 7.746 -11.057 1.00 15.00 O ATOM 398 NE2 GLN A 195 -5.963 5.610 -11.724 1.00 15.00 N ATOM 0 H GLN A 195 -0.773 6.557 -7.946 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.950 6.041 -7.758 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.128 7.400 -9.903 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -3.075 5.888 -10.788 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -5.091 5.144 -9.413 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.192 6.788 -8.814 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -5.647 4.658 -11.541 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.515 5.813 -12.557 1.00 15.00 H new ATOM 407 N THR A 196 -1.583 3.524 -8.260 1.00 15.00 N ATOM 408 CA THR A 196 -1.501 2.074 -8.384 1.00 15.00 C ATOM 409 C THR A 196 -1.479 1.381 -7.029 1.00 15.00 C ATOM 410 O THR A 196 -0.910 1.892 -6.063 1.00 15.00 O ATOM 411 CB THR A 196 -0.260 1.644 -9.193 1.00 15.00 C ATOM 412 OG1 THR A 196 0.916 2.232 -8.631 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.384 2.050 -10.653 1.00 15.00 C ATOM 0 H THR A 196 -0.808 3.958 -7.760 1.00 15.00 H new ATOM 0 HA THR A 196 -2.401 1.766 -8.916 1.00 15.00 H new ATOM 0 HB THR A 196 -0.188 0.557 -9.144 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.700 1.953 -9.148 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.506 1.733 -11.196 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.263 1.576 -11.089 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.484 3.133 -10.722 1.00 15.00 H new ATOM 421 N THR A 197 -2.109 0.218 -6.974 1.00 15.00 N ATOM 422 CA THR A 197 -2.128 -0.595 -5.773 1.00 15.00 C ATOM 423 C THR A 197 -1.017 -1.644 -5.822 1.00 15.00 C ATOM 424 O THR A 197 -0.937 -2.433 -6.765 1.00 15.00 O ATOM 425 CB THR A 197 -3.487 -1.293 -5.616 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.539 -0.340 -5.807 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.620 -1.930 -4.241 1.00 15.00 C ATOM 0 H THR A 197 -2.619 -0.186 -7.759 1.00 15.00 H new ATOM 0 HA THR A 197 -1.964 0.060 -4.917 1.00 15.00 H new ATOM 0 HB THR A 197 -3.558 -2.080 -6.366 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.406 -0.786 -5.709 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.592 -2.417 -4.158 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.831 -2.669 -4.105 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.533 -1.161 -3.474 1.00 15.00 H new ATOM 435 N THR A 198 -0.164 -1.641 -4.814 1.00 15.00 N ATOM 436 CA THR A 198 0.982 -2.531 -4.778 1.00 15.00 C ATOM 437 C THR A 198 0.849 -3.565 -3.641 1.00 15.00 C ATOM 438 O THR A 198 0.787 -3.191 -2.467 1.00 15.00 O ATOM 439 CB THR A 198 2.269 -1.699 -4.592 1.00 15.00 C ATOM 440 OG1 THR A 198 2.368 -0.723 -5.637 1.00 15.00 O ATOM 441 CG2 THR A 198 3.512 -2.570 -4.605 1.00 15.00 C ATOM 0 H THR A 198 -0.245 -1.027 -4.003 1.00 15.00 H new ATOM 0 HA THR A 198 1.030 -3.076 -5.721 1.00 15.00 H new ATOM 0 HB THR A 198 2.207 -1.210 -3.620 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.416 0.173 -5.244 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.395 -1.946 -4.471 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.455 -3.297 -3.795 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.579 -3.094 -5.558 1.00 15.00 H new ATOM 449 N TRP A 199 0.784 -4.858 -3.992 1.00 15.00 N ATOM 450 CA TRP A 199 0.701 -5.929 -2.992 1.00 15.00 C ATOM 451 C TRP A 199 2.067 -6.232 -2.379 1.00 15.00 C ATOM 452 O TRP A 199 2.186 -6.453 -1.173 1.00 15.00 O ATOM 453 CB TRP A 199 0.180 -7.228 -3.610 1.00 15.00 C ATOM 454 CG TRP A 199 -1.302 -7.471 -3.519 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.084 -7.985 -4.510 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.184 -7.227 -2.409 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.366 -8.145 -4.075 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.459 -7.682 -2.801 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.040 -6.690 -1.123 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.555 -7.629 -1.967 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.163 -6.615 -0.307 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.404 -7.099 -0.748 1.00 15.00 C ATOM 0 H TRP A 199 0.787 -5.185 -4.958 1.00 15.00 H new ATOM 0 HA TRP A 199 0.015 -5.572 -2.223 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.463 -7.242 -4.662 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.692 -8.062 -3.131 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.736 -8.231 -5.502 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.131 -8.547 -4.617 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.079 -6.342 -0.774 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.514 -8.007 -2.290 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.079 -6.179 0.678 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.257 -7.042 -0.088 1.00 15.00 H new ATOM 473 N GLN A 200 3.089 -6.308 -3.222 1.00 15.00 N ATOM 474 CA GLN A 200 4.417 -6.703 -2.767 1.00 15.00 C ATOM 475 C GLN A 200 5.261 -5.485 -2.415 1.00 15.00 C ATOM 476 O GLN A 200 5.292 -4.505 -3.155 1.00 15.00 O ATOM 477 CB GLN A 200 5.136 -7.581 -3.808 1.00 15.00 C ATOM 478 CG GLN A 200 5.437 -6.914 -5.148 1.00 15.00 C ATOM 479 CD GLN A 200 4.205 -6.698 -6.002 1.00 15.00 C ATOM 480 OE1 GLN A 200 3.633 -5.510 -5.923 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 3.787 -7.580 -6.749 1.00 15.00 N flip ATOM 0 H GLN A 200 3.025 -6.103 -4.219 1.00 15.00 H new ATOM 0 HA GLN A 200 4.285 -7.300 -1.864 1.00 15.00 H new ATOM 0 HB2 GLN A 200 6.076 -7.927 -3.377 1.00 15.00 H new ATOM 0 HB3 GLN A 200 4.526 -8.465 -3.993 1.00 15.00 H new ATOM 0 HG2 GLN A 200 5.918 -5.953 -4.967 1.00 15.00 H new ATOM 0 HG3 GLN A 200 6.149 -7.528 -5.699 1.00 15.00 H new ATOM 0 HE21 GLN A 200 4.256 -8.485 -6.782 1.00 15.00 H new ATOM 0 HE22 GLN A 200 2.971 -7.407 -7.336 1.00 15.00 H new ATOM 490 N ASP A 201 5.959 -5.581 -1.289 1.00 15.00 N ATOM 491 CA ASP A 201 6.748 -4.473 -0.755 1.00 15.00 C ATOM 492 C ASP A 201 7.764 -3.969 -1.781 1.00 15.00 C ATOM 493 O ASP A 201 8.599 -4.738 -2.268 1.00 15.00 O ATOM 494 CB ASP A 201 7.477 -4.921 0.513 1.00 15.00 C ATOM 495 CG ASP A 201 7.974 -3.759 1.347 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.776 -2.951 0.840 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.568 -3.661 2.528 1.00 15.00 O1- ATOM 0 H ASP A 201 5.995 -6.427 -0.720 1.00 15.00 H new ATOM 0 HA ASP A 201 6.067 -3.655 -0.520 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.806 -5.533 1.115 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.322 -5.552 0.237 1.00 15.00 H new ATOM 502 N PRO A 202 7.705 -2.668 -2.115 1.00 15.00 N ATOM 503 CA PRO A 202 8.614 -2.052 -3.086 1.00 15.00 C ATOM 504 C PRO A 202 10.083 -2.107 -2.660 1.00 15.00 C ATOM 505 O PRO A 202 10.982 -1.883 -3.474 1.00 15.00 O ATOM 506 CB PRO A 202 8.140 -0.593 -3.175 1.00 15.00 C ATOM 507 CG PRO A 202 7.274 -0.367 -1.981 1.00 15.00 C ATOM 508 CD PRO A 202 6.721 -1.707 -1.587 1.00 15.00 C ATOM 0 HA PRO A 202 8.580 -2.583 -4.037 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.987 0.093 -3.178 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.586 -0.419 -4.097 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.848 0.070 -1.164 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.469 0.330 -2.213 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.619 -1.794 -0.505 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.732 -1.872 -2.015 1.00 15.00 H new ATOM 609 N PRO B 207 -8.832 -9.100 -3.480 1.00 15.00 N ATOM 610 CA PRO B 207 -8.723 -7.729 -4.008 1.00 15.00 C ATOM 611 C PRO B 207 -8.503 -6.693 -2.905 1.00 15.00 C ATOM 612 O PRO B 207 -9.163 -6.726 -1.865 1.00 15.00 O ATOM 613 CB PRO B 207 -10.077 -7.495 -4.701 1.00 15.00 C ATOM 614 CG PRO B 207 -10.939 -8.655 -4.319 1.00 15.00 C ATOM 615 CD PRO B 207 -10.005 -9.791 -4.028 1.00 15.00 C ATOM 0 HA PRO B 207 -7.866 -7.622 -4.674 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.523 -6.554 -4.379 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.957 -7.437 -5.783 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.547 -8.417 -3.446 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.626 -8.912 -5.126 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.432 -10.496 -3.314 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.760 -10.357 -4.927 1.00 15.00 H new ATOM 623 N PRO B 208 -7.581 -5.745 -3.133 1.00 15.00 N ATOM 624 CA PRO B 208 -7.044 -4.847 -2.128 1.00 15.00 C ATOM 625 C PRO B 208 -7.835 -3.529 -2.101 1.00 15.00 C ATOM 626 O PRO B 208 -8.796 -3.364 -2.859 1.00 15.00 O ATOM 627 CB PRO B 208 -5.585 -4.638 -2.656 1.00 15.00 C ATOM 628 CG PRO B 208 -5.565 -5.328 -3.993 1.00 15.00 C ATOM 629 CD PRO B 208 -6.991 -5.357 -4.393 1.00 15.00 C ATOM 0 HA PRO B 208 -7.092 -5.222 -1.106 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.346 -3.579 -2.752 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.851 -5.070 -1.976 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.957 -4.784 -4.716 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.149 -6.333 -3.919 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.348 -4.388 -4.743 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.189 -6.076 -5.188 1.00 15.00 H new ATOM 637 N PRO B 209 -7.453 -2.592 -1.223 1.00 15.00 N ATOM 638 CA PRO B 209 -8.094 -1.274 -1.120 1.00 15.00 C ATOM 639 C PRO B 209 -8.270 -0.550 -2.451 1.00 15.00 C ATOM 640 O PRO B 209 -7.409 -0.616 -3.326 1.00 15.00 O ATOM 641 CB PRO B 209 -7.100 -0.455 -0.309 1.00 15.00 C ATOM 642 CG PRO B 209 -6.175 -1.408 0.354 1.00 15.00 C ATOM 643 CD PRO B 209 -6.415 -2.779 -0.206 1.00 15.00 C ATOM 0 HA PRO B 209 -9.093 -1.393 -0.700 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.549 0.228 -0.955 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.618 0.154 0.431 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.140 -1.108 0.188 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.339 -1.406 1.432 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.505 -3.193 -0.641 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.742 -3.471 0.570 1.00 15.00 H new ATOM 651 N PRO B 210 -9.388 0.176 -2.597 1.00 15.00 N ATOM 652 CA PRO B 210 -9.568 1.132 -3.686 1.00 15.00 C ATOM 653 C PRO B 210 -8.620 2.319 -3.520 1.00 15.00 C ATOM 654 O PRO B 210 -8.468 2.849 -2.416 1.00 15.00 O ATOM 655 CB PRO B 210 -11.024 1.584 -3.534 1.00 15.00 C ATOM 656 CG PRO B 210 -11.370 1.311 -2.112 1.00 15.00 C ATOM 657 CD PRO B 210 -10.564 0.108 -1.714 1.00 15.00 C ATOM 0 HA PRO B 210 -9.356 0.704 -4.666 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.135 2.642 -3.770 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.679 1.036 -4.211 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.131 2.167 -1.481 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.437 1.120 -2.000 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.279 0.145 -0.663 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.123 -0.816 -1.860 1.00 15.00 H new ATOM 665 N TYR B 211 -8.010 2.745 -4.615 1.00 15.00 N ATOM 666 CA TYR B 211 -6.984 3.785 -4.579 1.00 15.00 C ATOM 667 C TYR B 211 -7.535 5.169 -4.195 1.00 15.00 C ATOM 668 O TYR B 211 -6.762 6.072 -3.878 1.00 15.00 O ATOM 669 CB TYR B 211 -6.238 3.868 -5.927 1.00 15.00 C ATOM 670 CG TYR B 211 -5.358 5.093 -6.037 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.063 5.078 -5.550 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.844 6.279 -6.581 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.273 6.203 -5.600 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.054 7.409 -6.642 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.772 7.366 -6.148 1.00 15.00 C ATOM 676 OH TYR B 211 -2.984 8.488 -6.200 1.00 15.00 O ATOM 0 H TYR B 211 -8.207 2.385 -5.549 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.286 3.493 -3.794 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.626 2.975 -6.054 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.965 3.875 -6.739 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.666 4.168 -5.124 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.854 6.315 -6.961 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.266 6.176 -5.212 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.440 8.320 -7.075 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.485 9.220 -6.616 1.00 15.00 H new ATOM 686 N SER B 212 -8.851 5.323 -4.129 1.00 15.00 N ATOM 687 CA SER B 212 -9.467 6.637 -4.301 1.00 15.00 C ATOM 688 C SER B 212 -8.967 7.655 -3.265 1.00 15.00 C ATOM 689 O SER B 212 -8.288 8.615 -3.647 1.00 15.00 O ATOM 690 CB SER B 212 -10.986 6.497 -4.231 1.00 15.00 C ATOM 691 OG SER B 212 -11.446 5.530 -5.162 1.00 15.00 O ATOM 0 H SER B 212 -9.510 4.563 -3.959 1.00 15.00 H new ATOM 0 HA SER B 212 -9.178 7.020 -5.280 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.283 6.208 -3.223 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.454 7.459 -4.438 1.00 15.00 H new ATOM 0 HG SER B 212 -12.421 5.454 -5.100 1.00 15.00 H new ATOM 697 N ARG B 213 -9.296 7.516 -1.987 1.00 15.00 N ATOM 698 CA ARG B 213 -8.602 8.328 -0.992 1.00 15.00 C ATOM 699 C ARG B 213 -7.874 7.481 0.039 1.00 15.00 C ATOM 700 O ARG B 213 -6.645 7.409 0.043 1.00 15.00 O ATOM 701 CB ARG B 213 -9.558 9.283 -0.278 1.00 15.00 C ATOM 702 CG ARG B 213 -10.001 10.457 -1.134 1.00 15.00 C ATOM 703 CD ARG B 213 -8.798 11.242 -1.635 1.00 15.00 C ATOM 704 NE ARG B 213 -9.184 12.458 -2.344 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.661 12.839 -3.507 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.768 12.072 -4.124 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.037 13.988 -4.053 1.00 15.00 N ATOM 0 H ARG B 213 -10.006 6.880 -1.624 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.863 8.909 -1.543 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.439 8.727 0.045 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.073 9.663 0.621 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.584 10.096 -1.981 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.652 11.111 -0.554 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.161 11.504 -0.790 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.206 10.611 -2.297 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.898 13.052 -1.922 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.481 11.187 -3.706 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.370 12.368 -5.015 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -9.724 14.576 -3.582 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.639 14.284 -4.944 1.00 15.00 H new ATOM 721 N TYR B 214 -8.638 6.828 0.902 1.00 15.00 N ATOM 722 CA TYR B 214 -8.064 6.049 1.986 1.00 15.00 C ATOM 723 C TYR B 214 -8.477 4.590 1.907 1.00 15.00 C ATOM 724 O TYR B 214 -9.663 4.271 1.838 1.00 15.00 O ATOM 725 CB TYR B 214 -8.424 6.674 3.339 1.00 15.00 C ATOM 726 CG TYR B 214 -7.440 7.749 3.753 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.019 8.721 2.850 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.907 7.772 5.033 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.094 9.685 3.209 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.988 8.735 5.405 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.582 9.687 4.492 1.00 15.00 C ATOM 732 OH TYR B 214 -4.656 10.637 4.866 1.00 15.00 O ATOM 0 H TYR B 214 -9.658 6.823 0.872 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.979 6.070 1.884 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.425 7.102 3.285 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.451 5.895 4.101 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.423 8.723 1.848 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.215 7.026 5.750 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.775 10.429 2.493 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.588 8.742 6.408 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.401 10.495 5.802 1.00 15.00 H new ATOM 742 N PRO B 215 -7.485 3.690 1.919 1.00 15.00 N ATOM 743 CA PRO B 215 -7.709 2.243 1.815 1.00 15.00 C ATOM 744 C PRO B 215 -8.555 1.661 2.943 1.00 15.00 C ATOM 745 O PRO B 215 -9.408 0.806 2.710 1.00 15.00 O ATOM 746 CB PRO B 215 -6.296 1.663 1.892 1.00 15.00 C ATOM 747 CG PRO B 215 -5.402 2.770 1.478 1.00 15.00 C ATOM 748 CD PRO B 215 -6.050 4.017 1.996 1.00 15.00 C ATOM 0 HA PRO B 215 -8.261 2.005 0.905 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.063 1.325 2.902 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.187 0.801 1.234 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.402 2.645 1.894 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.294 2.804 0.394 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.740 4.241 3.017 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.799 4.886 1.388 1.00 15.00 H new