USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=11 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= 1.32 K(o=2.4,f=-5.8!) USER MOD Set 1.2: A 198 THR OG1 : rot 111:sc= 1.07 USER MOD Set 2.1: A 182 THR OG1 : rot 136:sc= -0.77! USER MOD Set 2.2: A 184 SER OG : rot -130:sc= 2.06 USER MOD Set 2.3: A 186 GLN : amide:sc= 0.959 K(o=2.3,f=1!) USER MOD Single : A 179 MET CE :methyl 174:sc= -6.49! (180deg=-7.2!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.843 USER MOD Single : A 192 HIS : no HD1:sc= -0.72! C(o=-0.72!,f=-5.9!) USER MOD Single : A 195 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.3!) USER MOD Single : A 196 THR OG1 : rot -170:sc= -0.102 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.3!) USER MOD Single : B 211 TYR OH : rot 40:sc= 0.0791 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 9.405 3.385 5.687 1.00 15.00 N ATOM 46 CA LEU A 173 8.195 3.617 4.920 1.00 15.00 C ATOM 47 C LEU A 173 8.504 4.575 3.775 1.00 15.00 C ATOM 48 O LEU A 173 8.776 5.755 4.014 1.00 15.00 O ATOM 49 CB LEU A 173 7.087 4.210 5.803 1.00 15.00 C ATOM 50 CG LEU A 173 6.618 3.337 6.974 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.630 4.106 7.835 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.982 2.049 6.469 1.00 15.00 C ATOM 0 HA LEU A 173 7.843 2.663 4.527 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.439 5.161 6.203 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.226 4.429 5.172 1.00 15.00 H new ATOM 0 HG LEU A 173 7.488 3.075 7.577 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.303 3.477 8.663 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.110 5.003 8.227 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.767 4.390 7.233 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.657 1.447 7.317 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.122 2.289 5.844 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.711 1.488 5.884 1.00 15.00 H new ATOM 64 N PRO A 174 8.531 4.065 2.529 1.00 15.00 N ATOM 65 CA PRO A 174 8.800 4.882 1.336 1.00 15.00 C ATOM 66 C PRO A 174 7.873 6.095 1.239 1.00 15.00 C ATOM 67 O PRO A 174 6.696 6.026 1.599 1.00 15.00 O ATOM 68 CB PRO A 174 8.549 3.910 0.175 1.00 15.00 C ATOM 69 CG PRO A 174 8.747 2.553 0.755 1.00 15.00 C ATOM 70 CD PRO A 174 8.318 2.648 2.191 1.00 15.00 C ATOM 0 HA PRO A 174 9.806 5.300 1.345 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.541 4.025 -0.224 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.240 4.092 -0.648 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.156 1.810 0.220 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.790 2.245 0.679 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.274 2.359 2.316 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.909 1.991 2.829 1.00 15.00 H new ATOM 78 N ALA A 175 8.404 7.198 0.726 1.00 15.00 N ATOM 79 CA ALA A 175 7.650 8.440 0.651 1.00 15.00 C ATOM 80 C ALA A 175 6.880 8.536 -0.661 1.00 15.00 C ATOM 81 O ALA A 175 7.412 8.241 -1.733 1.00 15.00 O ATOM 82 CB ALA A 175 8.583 9.631 0.810 1.00 15.00 C ATOM 0 H ALA A 175 9.353 7.256 0.356 1.00 15.00 H new ATOM 0 HA ALA A 175 6.926 8.449 1.466 1.00 15.00 H new ATOM 0 HB1 ALA A 175 8.007 10.555 0.752 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.083 9.575 1.777 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.329 9.618 0.015 1.00 15.00 H new ATOM 88 N GLY A 176 5.629 8.968 -0.564 1.00 15.00 N ATOM 89 CA GLY A 176 4.747 8.983 -1.714 1.00 15.00 C ATOM 90 C GLY A 176 3.987 7.679 -1.827 1.00 15.00 C ATOM 91 O GLY A 176 3.374 7.377 -2.855 1.00 15.00 O ATOM 0 H GLY A 176 5.207 9.311 0.299 1.00 15.00 H new ATOM 0 HA2 GLY A 176 4.045 9.812 -1.628 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.328 9.150 -2.621 1.00 15.00 H new ATOM 95 N TRP A 177 4.016 6.922 -0.742 1.00 15.00 N ATOM 96 CA TRP A 177 3.349 5.636 -0.665 1.00 15.00 C ATOM 97 C TRP A 177 2.350 5.633 0.485 1.00 15.00 C ATOM 98 O TRP A 177 2.503 6.380 1.455 1.00 15.00 O ATOM 99 CB TRP A 177 4.377 4.518 -0.460 1.00 15.00 C ATOM 100 CG TRP A 177 5.274 4.291 -1.638 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.343 5.050 -2.019 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.187 3.219 -2.581 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.920 4.519 -3.146 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.229 3.396 -3.509 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.329 2.128 -2.731 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.435 2.525 -4.572 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.536 1.263 -3.785 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.582 1.465 -4.693 1.00 15.00 C ATOM 0 H TRP A 177 4.506 7.185 0.113 1.00 15.00 H new ATOM 0 HA TRP A 177 2.817 5.462 -1.601 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.990 4.757 0.409 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.850 3.591 -0.234 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.685 5.938 -1.508 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.731 4.900 -3.633 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.519 1.965 -2.035 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.239 2.680 -5.276 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.880 0.415 -3.912 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.718 0.768 -5.507 1.00 15.00 H new ATOM 119 N GLU A 178 1.328 4.800 0.370 1.00 15.00 N ATOM 120 CA GLU A 178 0.348 4.644 1.428 1.00 15.00 C ATOM 121 C GLU A 178 0.654 3.373 2.202 1.00 15.00 C ATOM 122 O GLU A 178 0.573 2.273 1.655 1.00 15.00 O ATOM 123 CB GLU A 178 -1.064 4.586 0.847 1.00 15.00 C ATOM 124 CG GLU A 178 -2.160 4.714 1.888 1.00 15.00 C ATOM 125 CD GLU A 178 -2.057 6.008 2.661 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.576 7.036 2.175 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.439 6.008 3.741 1.00 15.00 O1- ATOM 0 H GLU A 178 1.157 4.219 -0.451 1.00 15.00 H new ATOM 0 HA GLU A 178 0.401 5.501 2.099 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.178 5.384 0.113 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.189 3.643 0.315 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.133 4.660 1.399 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.104 3.873 2.579 1.00 15.00 H new ATOM 134 N MET A 179 1.013 3.533 3.464 1.00 15.00 N ATOM 135 CA MET A 179 1.514 2.424 4.260 1.00 15.00 C ATOM 136 C MET A 179 0.455 1.938 5.234 1.00 15.00 C ATOM 137 O MET A 179 0.087 2.662 6.162 1.00 15.00 O ATOM 138 CB MET A 179 2.761 2.854 5.047 1.00 15.00 C ATOM 139 CG MET A 179 3.634 3.872 4.323 1.00 15.00 C ATOM 140 SD MET A 179 4.182 3.309 2.701 1.00 15.00 S ATOM 141 CE MET A 179 5.219 1.925 3.150 1.00 15.00 C ATOM 0 H MET A 179 0.967 4.422 3.961 1.00 15.00 H new ATOM 0 HA MET A 179 1.772 1.613 3.579 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.447 3.275 6.002 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.360 1.971 5.269 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.078 4.802 4.209 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.506 4.095 4.937 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.546 1.407 2.248 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.090 2.285 3.697 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.655 1.237 3.779 1.00 15.00 H new ATOM 151 N ALA A 180 -0.060 0.733 5.018 1.00 15.00 N ATOM 152 CA ALA A 180 -1.000 0.154 5.963 1.00 15.00 C ATOM 153 C ALA A 180 -0.909 -1.364 5.980 1.00 15.00 C ATOM 154 O ALA A 180 -0.777 -2.011 4.939 1.00 15.00 O ATOM 155 CB ALA A 180 -2.416 0.607 5.663 1.00 15.00 C ATOM 0 H ALA A 180 0.154 0.148 4.210 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.730 0.511 6.957 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.101 0.161 6.384 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.473 1.693 5.733 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.693 0.293 4.657 1.00 15.00 H new ATOM 161 N LYS A 181 -0.968 -1.921 7.177 1.00 15.00 N ATOM 162 CA LYS A 181 -0.843 -3.355 7.372 1.00 15.00 C ATOM 163 C LYS A 181 -2.057 -3.882 8.131 1.00 15.00 C ATOM 164 O LYS A 181 -2.319 -3.466 9.260 1.00 15.00 O ATOM 165 CB LYS A 181 0.450 -3.650 8.140 1.00 15.00 C ATOM 166 CG LYS A 181 1.694 -3.127 7.433 1.00 15.00 C ATOM 167 CD LYS A 181 2.870 -2.963 8.384 1.00 15.00 C ATOM 168 CE LYS A 181 4.075 -2.372 7.666 1.00 15.00 C ATOM 169 NZ LYS A 181 5.171 -1.999 8.602 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.104 -1.393 8.039 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.800 -3.857 6.406 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.387 -3.202 9.132 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.545 -4.727 8.281 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.970 -3.813 6.632 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.469 -2.167 6.968 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.584 -2.317 9.214 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.135 -3.931 8.810 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.451 -3.093 6.941 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.764 -1.490 7.106 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.967 -1.602 8.064 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.823 -1.290 9.279 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.489 -2.844 9.118 1.00 15.00 H new ATOM 183 N THR A 182 -2.797 -4.789 7.514 1.00 15.00 N ATOM 184 CA THR A 182 -4.018 -5.303 8.118 1.00 15.00 C ATOM 185 C THR A 182 -3.717 -6.531 8.971 1.00 15.00 C ATOM 186 O THR A 182 -2.890 -7.370 8.595 1.00 15.00 O ATOM 187 CB THR A 182 -5.059 -5.695 7.050 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.616 -6.857 6.353 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.278 -4.578 6.044 1.00 15.00 C ATOM 0 H THR A 182 -2.576 -5.184 6.600 1.00 15.00 H new ATOM 0 HA THR A 182 -4.426 -4.504 8.738 1.00 15.00 H new ATOM 0 HB THR A 182 -6.001 -5.890 7.563 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.363 -7.484 6.254 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.018 -4.892 5.308 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.635 -3.688 6.561 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.338 -4.352 5.540 1.00 15.00 H new ATOM 197 N SER A 183 -4.401 -6.640 10.107 1.00 15.00 N ATOM 198 CA SER A 183 -4.217 -7.768 11.011 1.00 15.00 C ATOM 199 C SER A 183 -4.718 -9.063 10.372 1.00 15.00 C ATOM 200 O SER A 183 -4.388 -10.157 10.825 1.00 15.00 O ATOM 201 CB SER A 183 -4.948 -7.506 12.328 1.00 15.00 C ATOM 202 OG SER A 183 -4.663 -6.201 12.807 1.00 15.00 O ATOM 0 H SER A 183 -5.090 -5.957 10.423 1.00 15.00 H new ATOM 0 HA SER A 183 -3.152 -7.880 11.213 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.022 -7.619 12.182 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.647 -8.245 13.070 1.00 15.00 H new ATOM 0 HG SER A 183 -5.140 -6.050 13.649 1.00 15.00 H new ATOM 208 N SER A 184 -5.526 -8.925 9.321 1.00 15.00 N ATOM 209 CA SER A 184 -5.974 -10.068 8.533 1.00 15.00 C ATOM 210 C SER A 184 -4.792 -10.743 7.832 1.00 15.00 C ATOM 211 O SER A 184 -4.911 -11.852 7.312 1.00 15.00 O ATOM 212 CB SER A 184 -7.046 -9.656 7.513 1.00 15.00 C ATOM 213 OG SER A 184 -6.577 -8.649 6.631 1.00 15.00 O ATOM 0 H SER A 184 -5.884 -8.027 8.996 1.00 15.00 H new ATOM 0 HA SER A 184 -6.423 -10.787 9.218 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.354 -10.529 6.937 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.929 -9.295 8.040 1.00 15.00 H new ATOM 0 HG SER A 184 -7.227 -7.917 6.595 1.00 15.00 H new ATOM 219 N GLY A 185 -3.661 -10.046 7.798 1.00 15.00 N ATOM 220 CA GLY A 185 -2.495 -10.544 7.105 1.00 15.00 C ATOM 221 C GLY A 185 -2.464 -10.090 5.666 1.00 15.00 C ATOM 222 O GLY A 185 -2.246 -10.883 4.750 1.00 15.00 O ATOM 0 H GLY A 185 -3.535 -9.137 8.244 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.595 -10.200 7.614 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.487 -11.633 7.143 1.00 15.00 H new ATOM 226 N GLN A 186 -2.702 -8.803 5.474 1.00 15.00 N ATOM 227 CA GLN A 186 -2.584 -8.179 4.165 1.00 15.00 C ATOM 228 C GLN A 186 -1.699 -6.953 4.274 1.00 15.00 C ATOM 229 O GLN A 186 -2.044 -5.986 4.956 1.00 15.00 O ATOM 230 CB GLN A 186 -3.954 -7.770 3.611 1.00 15.00 C ATOM 231 CG GLN A 186 -4.871 -8.933 3.283 1.00 15.00 C ATOM 232 CD GLN A 186 -6.265 -8.478 2.899 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.555 -8.246 1.729 1.00 15.00 O ATOM 234 NE2 GLN A 186 -7.138 -8.338 3.885 1.00 15.00 N ATOM 0 H GLN A 186 -2.981 -8.163 6.217 1.00 15.00 H new ATOM 0 HA GLN A 186 -2.145 -8.905 3.480 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.449 -7.127 4.339 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.805 -7.176 2.710 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.442 -9.511 2.465 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.933 -9.598 4.145 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.860 -8.541 4.845 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -8.089 -8.028 3.684 1.00 15.00 H new ATOM 243 N ARG A 187 -0.549 -7.007 3.635 1.00 15.00 N ATOM 244 CA ARG A 187 0.349 -5.871 3.610 1.00 15.00 C ATOM 245 C ARG A 187 0.206 -5.152 2.272 1.00 15.00 C ATOM 246 O ARG A 187 0.553 -5.703 1.231 1.00 15.00 O ATOM 247 CB ARG A 187 1.802 -6.322 3.857 1.00 15.00 C ATOM 248 CG ARG A 187 2.320 -7.361 2.867 1.00 15.00 C ATOM 249 CD ARG A 187 3.633 -7.980 3.329 1.00 15.00 C ATOM 250 NE ARG A 187 4.705 -6.992 3.490 1.00 15.00 N ATOM 251 CZ ARG A 187 5.708 -7.121 4.365 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.765 -8.182 5.162 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.662 -6.200 4.438 1.00 15.00 N ATOM 0 H ARG A 187 -0.214 -7.825 3.126 1.00 15.00 H new ATOM 0 HA ARG A 187 0.087 -5.178 4.410 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.452 -5.448 3.819 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.876 -6.731 4.865 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.574 -8.145 2.740 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.462 -6.895 1.892 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.473 -8.493 4.277 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.947 -8.735 2.608 1.00 15.00 H new ATOM 0 HE ARG A 187 4.684 -6.159 2.901 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.043 -8.900 5.107 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.531 -8.278 5.829 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.633 -5.386 3.824 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.423 -6.306 5.108 1.00 15.00 H new ATOM 267 N TYR A 188 -0.353 -3.949 2.277 1.00 15.00 N ATOM 268 CA TYR A 188 -0.554 -3.237 1.033 1.00 15.00 C ATOM 269 C TYR A 188 0.091 -1.867 1.083 1.00 15.00 C ATOM 270 O TYR A 188 0.149 -1.211 2.136 1.00 15.00 O ATOM 271 CB TYR A 188 -2.047 -3.123 0.677 1.00 15.00 C ATOM 272 CG TYR A 188 -2.891 -2.328 1.652 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.776 -0.945 1.747 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.819 -2.963 2.464 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.555 -0.223 2.627 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.603 -2.243 3.348 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.465 -0.877 3.426 1.00 15.00 C ATOM 278 OH TYR A 188 -5.246 -0.162 4.307 1.00 15.00 O ATOM 0 H TYR A 188 -0.668 -3.458 3.114 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.071 -3.816 0.246 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.134 -2.666 -0.309 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.462 -4.128 0.600 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.064 -0.428 1.121 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.931 -4.036 2.405 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.451 0.850 2.689 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.321 -2.752 3.974 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.835 -0.775 4.794 1.00 15.00 H new ATOM 288 N PHE A 189 0.564 -1.447 -0.069 1.00 15.00 N ATOM 289 CA PHE A 189 1.176 -0.154 -0.221 1.00 15.00 C ATOM 290 C PHE A 189 0.604 0.521 -1.455 1.00 15.00 C ATOM 291 O PHE A 189 0.619 -0.047 -2.547 1.00 15.00 O ATOM 292 CB PHE A 189 2.697 -0.305 -0.342 1.00 15.00 C ATOM 293 CG PHE A 189 3.303 -1.107 0.778 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.443 -0.560 2.039 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.721 -2.410 0.569 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.988 -1.294 3.074 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.265 -3.150 1.600 1.00 15.00 C ATOM 298 CZ PHE A 189 4.399 -2.591 2.856 1.00 15.00 C ATOM 0 H PHE A 189 0.533 -1.997 -0.927 1.00 15.00 H new ATOM 0 HA PHE A 189 0.965 0.461 0.654 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.934 -0.783 -1.292 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.154 0.685 -0.360 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.122 0.456 2.218 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.621 -2.853 -0.411 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.092 -0.852 4.054 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.586 -4.166 1.424 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.824 -3.168 3.664 1.00 15.00 H new ATOM 308 N LEU A 190 0.078 1.714 -1.281 1.00 15.00 N ATOM 309 CA LEU A 190 -0.444 2.471 -2.404 1.00 15.00 C ATOM 310 C LEU A 190 0.646 3.327 -3.011 1.00 15.00 C ATOM 311 O LEU A 190 1.421 3.941 -2.286 1.00 15.00 O ATOM 312 CB LEU A 190 -1.555 3.423 -1.979 1.00 15.00 C ATOM 313 CG LEU A 190 -2.989 2.917 -2.005 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.892 4.071 -2.414 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.153 1.743 -2.958 1.00 15.00 C ATOM 0 H LEU A 190 -0.001 2.181 -0.378 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.827 1.740 -3.116 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.338 3.754 -0.964 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.502 4.303 -2.620 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.262 2.556 -1.013 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.927 3.731 -2.440 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.794 4.883 -1.693 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.602 4.427 -3.403 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.191 1.409 -2.949 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.880 2.052 -3.967 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.506 0.925 -2.642 1.00 15.00 H new ATOM 327 N ASN A 191 0.685 3.423 -4.322 1.00 15.00 N ATOM 328 CA ASN A 191 1.515 4.414 -4.945 1.00 15.00 C ATOM 329 C ASN A 191 0.676 5.668 -5.100 1.00 15.00 C ATOM 330 O ASN A 191 -0.115 5.768 -6.040 1.00 15.00 O ATOM 331 CB ASN A 191 2.020 3.971 -6.326 1.00 15.00 C ATOM 332 CG ASN A 191 2.638 2.584 -6.364 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.198 1.662 -5.677 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.667 2.426 -7.179 1.00 15.00 N ATOM 0 H ASN A 191 0.157 2.833 -4.965 1.00 15.00 H new ATOM 0 HA ASN A 191 2.395 4.581 -4.323 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.187 4.002 -7.029 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.759 4.692 -6.676 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.124 1.517 -7.254 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.004 3.213 -7.733 1.00 15.00 H new ATOM 341 N HIS A 192 0.793 6.597 -4.149 1.00 15.00 N ATOM 342 CA HIS A 192 0.018 7.837 -4.215 1.00 15.00 C ATOM 343 C HIS A 192 0.453 8.656 -5.424 1.00 15.00 C ATOM 344 O HIS A 192 -0.237 9.574 -5.850 1.00 15.00 O ATOM 345 CB HIS A 192 0.146 8.676 -2.935 1.00 15.00 C ATOM 346 CG HIS A 192 -0.964 8.452 -1.939 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.159 9.147 -1.960 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.051 7.610 -0.883 1.00 15.00 C ATOM 349 CE1 HIS A 192 -2.923 8.740 -0.965 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.279 7.812 -0.291 1.00 15.00 N ATOM 0 H HIS A 192 1.406 6.517 -3.337 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.032 7.560 -4.314 1.00 15.00 H new ATOM 0 HB2 HIS A 192 1.099 8.448 -2.458 1.00 15.00 H new ATOM 0 HB3 HIS A 192 0.169 9.732 -3.206 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.296 6.908 -0.563 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -3.913 9.108 -0.741 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.630 7.323 0.533 1.00 15.00 H new ATOM 359 N ILE A 193 1.614 8.308 -5.965 1.00 15.00 N ATOM 360 CA ILE A 193 2.142 8.957 -7.155 1.00 15.00 C ATOM 361 C ILE A 193 1.674 8.234 -8.422 1.00 15.00 C ATOM 362 O ILE A 193 1.278 8.868 -9.401 1.00 15.00 O ATOM 363 CB ILE A 193 3.685 8.979 -7.123 1.00 15.00 C ATOM 364 CG1 ILE A 193 4.174 9.593 -5.809 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.237 9.753 -8.314 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.677 9.526 -5.626 1.00 15.00 C ATOM 0 H ILE A 193 2.213 7.571 -5.592 1.00 15.00 H new ATOM 0 HA ILE A 193 1.767 9.980 -7.168 1.00 15.00 H new ATOM 0 HB ILE A 193 4.049 7.954 -7.187 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.858 10.635 -5.766 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.693 9.079 -4.977 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.326 9.756 -8.272 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.911 9.278 -9.239 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.869 10.779 -8.283 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.948 9.980 -4.673 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.999 8.485 -5.636 1.00 15.00 H new ATOM 0 HD13 ILE A 193 6.167 10.065 -6.437 1.00 15.00 H new ATOM 378 N ASP A 194 1.705 6.902 -8.386 1.00 15.00 N ATOM 379 CA ASP A 194 1.384 6.086 -9.564 1.00 15.00 C ATOM 380 C ASP A 194 -0.110 5.839 -9.705 1.00 15.00 C ATOM 381 O ASP A 194 -0.556 5.373 -10.753 1.00 15.00 O ATOM 382 CB ASP A 194 2.103 4.731 -9.513 1.00 15.00 C ATOM 383 CG ASP A 194 3.604 4.853 -9.652 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.085 5.131 -10.772 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.308 4.671 -8.642 1.00 15.00 O1- ATOM 0 H ASP A 194 1.949 6.362 -7.556 1.00 15.00 H new ATOM 0 HA ASP A 194 1.727 6.655 -10.428 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.870 4.238 -8.569 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.721 4.093 -10.310 1.00 15.00 H new ATOM 390 N GLN A 195 -0.875 6.100 -8.638 1.00 15.00 N ATOM 391 CA GLN A 195 -2.317 5.826 -8.641 1.00 15.00 C ATOM 392 C GLN A 195 -2.522 4.318 -8.772 1.00 15.00 C ATOM 393 O GLN A 195 -3.539 3.833 -9.264 1.00 15.00 O ATOM 394 CB GLN A 195 -2.979 6.606 -9.792 1.00 15.00 C ATOM 395 CG GLN A 195 -4.499 6.557 -9.820 1.00 15.00 C ATOM 396 CD GLN A 195 -5.084 7.553 -10.802 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.499 8.605 -11.057 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.245 7.243 -11.352 1.00 15.00 N ATOM 0 H GLN A 195 -0.523 6.498 -7.767 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.784 6.154 -7.713 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.667 7.648 -9.730 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.602 6.216 -10.737 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.824 5.551 -10.087 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.886 6.762 -8.822 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.701 6.362 -11.117 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.685 7.885 -12.011 1.00 15.00 H new ATOM 407 N THR A 196 -1.554 3.590 -8.242 1.00 15.00 N ATOM 408 CA THR A 196 -1.471 2.154 -8.427 1.00 15.00 C ATOM 409 C THR A 196 -1.445 1.432 -7.078 1.00 15.00 C ATOM 410 O THR A 196 -0.861 1.931 -6.115 1.00 15.00 O ATOM 411 CB THR A 196 -0.199 1.824 -9.233 1.00 15.00 C ATOM 412 OG1 THR A 196 -0.204 2.566 -10.459 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.083 0.346 -9.549 1.00 15.00 C ATOM 0 H THR A 196 -0.804 3.979 -7.671 1.00 15.00 H new ATOM 0 HA THR A 196 -2.351 1.813 -8.972 1.00 15.00 H new ATOM 0 HB THR A 196 0.657 2.101 -8.617 1.00 15.00 H new ATOM 0 HG1 THR A 196 0.516 2.243 -11.040 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.829 0.166 -10.118 1.00 15.00 H new ATOM 0 HG22 THR A 196 -0.050 -0.223 -8.620 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.945 0.031 -10.137 1.00 15.00 H new ATOM 421 N THR A 197 -2.092 0.275 -7.010 1.00 15.00 N ATOM 422 CA THR A 197 -2.135 -0.513 -5.787 1.00 15.00 C ATOM 423 C THR A 197 -1.053 -1.596 -5.806 1.00 15.00 C ATOM 424 O THR A 197 -0.880 -2.300 -6.803 1.00 15.00 O ATOM 425 CB THR A 197 -3.517 -1.168 -5.611 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.547 -0.217 -5.923 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.702 -1.664 -4.185 1.00 15.00 C ATOM 0 H THR A 197 -2.597 -0.139 -7.793 1.00 15.00 H new ATOM 0 HA THR A 197 -1.952 0.159 -4.948 1.00 15.00 H new ATOM 0 HB THR A 197 -3.583 -2.019 -6.288 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.425 -0.638 -5.812 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.685 -2.123 -4.084 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.932 -2.400 -3.953 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.621 -0.825 -3.494 1.00 15.00 H new ATOM 435 N THR A 198 -0.328 -1.726 -4.703 1.00 15.00 N ATOM 436 CA THR A 198 0.779 -2.663 -4.620 1.00 15.00 C ATOM 437 C THR A 198 0.624 -3.615 -3.419 1.00 15.00 C ATOM 438 O THR A 198 0.289 -3.179 -2.314 1.00 15.00 O ATOM 439 CB THR A 198 2.107 -1.884 -4.514 1.00 15.00 C ATOM 440 OG1 THR A 198 2.310 -1.111 -5.707 1.00 15.00 O ATOM 441 CG2 THR A 198 3.288 -2.813 -4.310 1.00 15.00 C ATOM 0 H THR A 198 -0.490 -1.190 -3.850 1.00 15.00 H new ATOM 0 HA THR A 198 0.781 -3.271 -5.525 1.00 15.00 H new ATOM 0 HB THR A 198 2.039 -1.227 -3.647 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.215 -0.158 -5.499 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.204 -2.227 -4.240 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.150 -3.381 -3.390 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.360 -3.500 -5.153 1.00 15.00 H new ATOM 449 N TRP A 199 0.851 -4.914 -3.644 1.00 15.00 N ATOM 450 CA TRP A 199 0.827 -5.909 -2.572 1.00 15.00 C ATOM 451 C TRP A 199 2.239 -6.158 -2.037 1.00 15.00 C ATOM 452 O TRP A 199 2.438 -6.410 -0.849 1.00 15.00 O ATOM 453 CB TRP A 199 0.299 -7.255 -3.075 1.00 15.00 C ATOM 454 CG TRP A 199 -1.195 -7.456 -3.103 1.00 15.00 C ATOM 455 CD1 TRP A 199 -1.927 -7.874 -4.179 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.139 -7.282 -2.030 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.240 -8.035 -3.832 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.395 -7.677 -2.529 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.062 -6.851 -0.695 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.534 -7.671 -1.755 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.232 -6.820 0.055 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.447 -7.248 -0.497 1.00 15.00 C ATOM 0 H TRP A 199 1.054 -5.300 -4.566 1.00 15.00 H new ATOM 0 HA TRP A 199 0.176 -5.513 -1.792 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.677 -7.407 -4.086 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.731 -8.038 -2.452 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.525 -8.052 -5.165 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -3.981 -8.369 -4.449 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.119 -6.552 -0.263 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.478 -8.003 -2.161 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.204 -6.462 1.074 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.336 -7.234 0.115 1.00 15.00 H new ATOM 473 N GLN A 200 3.212 -6.130 -2.940 1.00 15.00 N ATOM 474 CA GLN A 200 4.584 -6.498 -2.606 1.00 15.00 C ATOM 475 C GLN A 200 5.374 -5.287 -2.136 1.00 15.00 C ATOM 476 O GLN A 200 5.372 -4.245 -2.787 1.00 15.00 O ATOM 477 CB GLN A 200 5.262 -7.137 -3.824 1.00 15.00 C ATOM 478 CG GLN A 200 6.761 -7.378 -3.664 1.00 15.00 C ATOM 479 CD GLN A 200 7.114 -8.322 -2.524 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.425 -8.388 -1.505 1.00 15.00 O ATOM 481 NE2 GLN A 200 8.198 -9.061 -2.691 1.00 15.00 N ATOM 0 H GLN A 200 3.076 -5.855 -3.913 1.00 15.00 H new ATOM 0 HA GLN A 200 4.559 -7.220 -1.790 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.775 -8.089 -4.037 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.101 -6.496 -4.691 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.155 -7.785 -4.595 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.257 -6.422 -3.498 1.00 15.00 H new ATOM 0 HE21 GLN A 200 8.744 -8.979 -3.549 1.00 15.00 H new ATOM 0 HE22 GLN A 200 8.488 -9.713 -1.962 1.00 15.00 H new ATOM 490 N ASP A 201 6.075 -5.455 -1.021 1.00 15.00 N ATOM 491 CA ASP A 201 6.790 -4.359 -0.378 1.00 15.00 C ATOM 492 C ASP A 201 7.808 -3.730 -1.333 1.00 15.00 C ATOM 493 O ASP A 201 8.801 -4.358 -1.704 1.00 15.00 O ATOM 494 CB ASP A 201 7.488 -4.854 0.891 1.00 15.00 C ATOM 495 CG ASP A 201 7.636 -3.759 1.925 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.024 -2.637 1.558 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.344 -4.016 3.116 1.00 15.00 O ATOM 0 H ASP A 201 6.164 -6.350 -0.539 1.00 15.00 H new ATOM 0 HA ASP A 201 6.063 -3.593 -0.106 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.919 -5.680 1.318 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.473 -5.244 0.634 1.00 15.00 H new ATOM 502 N PRO A 202 7.555 -2.472 -1.736 1.00 15.00 N ATOM 503 CA PRO A 202 8.343 -1.751 -2.756 1.00 15.00 C ATOM 504 C PRO A 202 9.829 -1.607 -2.437 1.00 15.00 C ATOM 505 O PRO A 202 10.630 -1.314 -3.325 1.00 15.00 O ATOM 506 CB PRO A 202 7.697 -0.362 -2.793 1.00 15.00 C ATOM 507 CG PRO A 202 6.914 -0.262 -1.528 1.00 15.00 C ATOM 508 CD PRO A 202 6.443 -1.651 -1.243 1.00 15.00 C ATOM 0 HA PRO A 202 8.323 -2.302 -3.696 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.452 0.422 -2.852 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.053 -0.250 -3.665 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.530 0.119 -0.714 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.073 0.423 -1.639 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.263 -1.808 -0.179 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.511 -1.877 -1.761 1.00 15.00 H new ATOM 609 N PRO B 207 -8.851 -9.046 -3.420 1.00 15.00 N ATOM 610 CA PRO B 207 -8.730 -7.639 -3.844 1.00 15.00 C ATOM 611 C PRO B 207 -8.482 -6.682 -2.681 1.00 15.00 C ATOM 612 O PRO B 207 -9.117 -6.780 -1.625 1.00 15.00 O ATOM 613 CB PRO B 207 -10.086 -7.338 -4.506 1.00 15.00 C ATOM 614 CG PRO B 207 -10.953 -8.520 -4.222 1.00 15.00 C ATOM 615 CD PRO B 207 -10.024 -9.680 -4.026 1.00 15.00 C ATOM 0 HA PRO B 207 -7.875 -7.498 -4.505 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.524 -6.426 -4.101 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.971 -7.187 -5.579 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.561 -8.353 -3.333 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.640 -8.706 -5.047 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.456 -10.441 -3.376 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.780 -10.168 -4.969 1.00 15.00 H new ATOM 623 N PRO B 208 -7.566 -5.717 -2.884 1.00 15.00 N ATOM 624 CA PRO B 208 -7.042 -4.826 -1.866 1.00 15.00 C ATOM 625 C PRO B 208 -7.821 -3.500 -1.865 1.00 15.00 C ATOM 626 O PRO B 208 -8.761 -3.332 -2.647 1.00 15.00 O ATOM 627 CB PRO B 208 -5.575 -4.620 -2.363 1.00 15.00 C ATOM 628 CG PRO B 208 -5.540 -5.237 -3.736 1.00 15.00 C ATOM 629 CD PRO B 208 -6.971 -5.299 -4.135 1.00 15.00 C ATOM 0 HA PRO B 208 -7.113 -5.206 -0.847 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.315 -3.562 -2.399 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.861 -5.101 -1.695 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.957 -4.633 -4.431 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.087 -6.228 -3.718 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.350 -4.335 -4.475 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.148 -6.013 -4.939 1.00 15.00 H new ATOM 637 N PRO B 209 -7.461 -2.560 -0.981 1.00 15.00 N ATOM 638 CA PRO B 209 -8.070 -1.227 -0.943 1.00 15.00 C ATOM 639 C PRO B 209 -8.143 -0.541 -2.307 1.00 15.00 C ATOM 640 O PRO B 209 -7.213 -0.631 -3.113 1.00 15.00 O ATOM 641 CB PRO B 209 -7.118 -0.414 -0.078 1.00 15.00 C ATOM 642 CG PRO B 209 -6.257 -1.379 0.659 1.00 15.00 C ATOM 643 CD PRO B 209 -6.480 -2.752 0.091 1.00 15.00 C ATOM 0 HA PRO B 209 -9.096 -1.303 -0.582 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.511 0.250 -0.694 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.673 0.215 0.618 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.208 -1.097 0.566 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.498 -1.366 1.722 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.552 -3.176 -0.293 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.854 -3.438 0.851 1.00 15.00 H new ATOM 651 N PRO B 210 -9.245 0.180 -2.561 1.00 15.00 N ATOM 652 CA PRO B 210 -9.365 1.058 -3.723 1.00 15.00 C ATOM 653 C PRO B 210 -8.467 2.282 -3.570 1.00 15.00 C ATOM 654 O PRO B 210 -8.326 2.829 -2.473 1.00 15.00 O ATOM 655 CB PRO B 210 -10.839 1.465 -3.712 1.00 15.00 C ATOM 656 CG PRO B 210 -11.259 1.335 -2.292 1.00 15.00 C ATOM 657 CD PRO B 210 -10.462 0.191 -1.729 1.00 15.00 C ATOM 0 HA PRO B 210 -9.063 0.576 -4.653 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.970 2.486 -4.071 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.432 0.820 -4.360 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.064 2.255 -1.741 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.329 1.140 -2.217 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.227 0.345 -0.676 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.006 -0.751 -1.800 1.00 15.00 H new ATOM 665 N TYR B 211 -7.890 2.727 -4.674 1.00 15.00 N ATOM 666 CA TYR B 211 -6.909 3.805 -4.653 1.00 15.00 C ATOM 667 C TYR B 211 -7.510 5.168 -4.275 1.00 15.00 C ATOM 668 O TYR B 211 -6.766 6.098 -3.970 1.00 15.00 O ATOM 669 CB TYR B 211 -6.179 3.916 -6.007 1.00 15.00 C ATOM 670 CG TYR B 211 -5.290 5.136 -6.086 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.016 5.119 -5.545 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.751 6.324 -6.646 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.224 6.246 -5.554 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.961 7.454 -6.669 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.700 7.414 -6.119 1.00 15.00 C ATOM 676 OH TYR B 211 -2.920 8.548 -6.122 1.00 15.00 O ATOM 0 H TYR B 211 -8.085 2.356 -5.604 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.196 3.540 -3.872 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.578 3.021 -6.166 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.914 3.953 -6.811 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.637 4.207 -5.109 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.744 6.361 -7.069 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.235 6.217 -5.121 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.330 8.365 -7.116 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.990 8.305 -6.312 1.00 15.00 H new ATOM 686 N SER B 212 -8.834 5.280 -4.200 1.00 15.00 N ATOM 687 CA SER B 212 -9.482 6.575 -4.411 1.00 15.00 C ATOM 688 C SER B 212 -8.986 7.623 -3.411 1.00 15.00 C ATOM 689 O SER B 212 -8.279 8.553 -3.814 1.00 15.00 O ATOM 690 CB SER B 212 -11.004 6.420 -4.316 1.00 15.00 C ATOM 691 OG SER B 212 -11.669 7.561 -4.832 1.00 15.00 O ATOM 0 H SER B 212 -9.470 4.508 -3.999 1.00 15.00 H new ATOM 0 HA SER B 212 -9.219 6.925 -5.409 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.317 5.533 -4.867 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.292 6.267 -3.276 1.00 15.00 H new ATOM 0 HG SER B 212 -12.638 7.435 -4.761 1.00 15.00 H new ATOM 697 N ARG B 213 -9.322 7.532 -2.134 1.00 15.00 N ATOM 698 CA ARG B 213 -8.606 8.364 -1.178 1.00 15.00 C ATOM 699 C ARG B 213 -7.892 7.562 -0.101 1.00 15.00 C ATOM 700 O ARG B 213 -6.666 7.459 -0.102 1.00 15.00 O ATOM 701 CB ARG B 213 -9.538 9.394 -0.540 1.00 15.00 C ATOM 702 CG ARG B 213 -9.577 10.724 -1.280 1.00 15.00 C ATOM 703 CD ARG B 213 -8.195 11.368 -1.340 1.00 15.00 C ATOM 704 NE ARG B 213 -7.326 10.735 -2.336 1.00 15.00 N ATOM 705 CZ ARG B 213 -6.033 11.016 -2.483 1.00 15.00 C ATOM 706 NH1 ARG B 213 -5.452 11.911 -1.693 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -5.323 10.392 -3.418 1.00 15.00 N ATOM 0 H ARG B 213 -10.046 6.925 -1.749 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.836 8.882 -1.749 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.546 8.982 -0.498 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.222 9.569 0.488 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.952 10.568 -2.292 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.273 11.399 -0.782 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.301 12.427 -1.575 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.725 11.304 -0.359 1.00 15.00 H new ATOM 0 HE ARG B 213 -7.737 10.036 -2.955 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -5.996 12.385 -0.972 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -4.461 12.125 -1.807 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -5.769 9.700 -4.020 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.332 10.605 -3.533 1.00 15.00 H new ATOM 721 N TYR B 214 -8.666 6.977 0.801 1.00 15.00 N ATOM 722 CA TYR B 214 -8.107 6.261 1.938 1.00 15.00 C ATOM 723 C TYR B 214 -8.556 4.807 1.930 1.00 15.00 C ATOM 724 O TYR B 214 -9.750 4.524 1.827 1.00 15.00 O ATOM 725 CB TYR B 214 -8.482 6.967 3.254 1.00 15.00 C ATOM 726 CG TYR B 214 -7.688 8.244 3.506 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.342 9.089 2.457 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.279 8.600 4.784 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.618 10.241 2.662 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.552 9.759 5.004 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.224 10.575 3.938 1.00 15.00 C ATOM 732 OH TYR B 214 -5.505 11.730 4.147 1.00 15.00 O ATOM 0 H TYR B 214 -9.685 6.984 0.767 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.020 6.267 1.858 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.545 7.207 3.238 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.322 6.279 4.084 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.650 8.834 1.454 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.531 7.964 5.620 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.361 10.878 1.829 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -6.243 10.024 6.004 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.305 11.823 5.102 1.00 15.00 H new ATOM 742 N PRO B 215 -7.604 3.869 2.045 1.00 15.00 N ATOM 743 CA PRO B 215 -7.883 2.427 1.972 1.00 15.00 C ATOM 744 C PRO B 215 -8.797 1.899 3.075 1.00 15.00 C ATOM 745 O PRO B 215 -9.429 0.857 2.906 1.00 15.00 O ATOM 746 CB PRO B 215 -6.501 1.784 2.107 1.00 15.00 C ATOM 747 CG PRO B 215 -5.542 2.853 1.738 1.00 15.00 C ATOM 748 CD PRO B 215 -6.164 4.132 2.216 1.00 15.00 C ATOM 0 HA PRO B 215 -8.414 2.197 1.048 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.327 1.432 3.124 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.402 0.920 1.449 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.572 2.689 2.207 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.375 2.876 0.661 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.911 4.343 3.255 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.835 4.988 1.627 1.00 15.00 H new