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= 0.724 K(o=1.2,f=-5!) USER MOD Set 1.2: A 198 THR OG1 : rot 114:sc= 0.49 USER MOD Single : A 179 MET CE :methyl 175:sc= -6.33! (180deg=-7.08!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 178:sc= -2.18! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.061) USER MOD Single : A 188 TYR OH : rot 180:sc= -1.73! USER MOD Single : A 192 HIS : no HD1:sc= -1.28! C(o=-1.3!,f=-5.3!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0107 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 9.410 3.428 5.550 1.00 15.00 N ATOM 46 CA LEU A 173 8.178 3.618 4.808 1.00 15.00 C ATOM 47 C LEU A 173 8.426 4.617 3.687 1.00 15.00 C ATOM 48 O LEU A 173 8.632 5.804 3.952 1.00 15.00 O ATOM 49 CB LEU A 173 7.058 4.132 5.724 1.00 15.00 C ATOM 50 CG LEU A 173 6.639 3.198 6.868 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.624 3.890 7.762 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.057 1.899 6.325 1.00 15.00 C ATOM 0 HA LEU A 173 7.863 2.660 4.394 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.376 5.081 6.155 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.181 4.338 5.111 1.00 15.00 H new ATOM 0 HG LEU A 173 7.526 2.957 7.454 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.334 3.219 8.570 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.065 4.794 8.182 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.744 4.155 7.176 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.768 1.255 7.155 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.181 2.120 5.715 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.805 1.392 5.716 1.00 15.00 H new ATOM 64 N PRO A 174 8.483 4.133 2.435 1.00 15.00 N ATOM 65 CA PRO A 174 8.716 4.981 1.258 1.00 15.00 C ATOM 66 C PRO A 174 7.779 6.186 1.205 1.00 15.00 C ATOM 67 O PRO A 174 6.621 6.113 1.625 1.00 15.00 O ATOM 68 CB PRO A 174 8.457 4.032 0.085 1.00 15.00 C ATOM 69 CG PRO A 174 8.748 2.679 0.622 1.00 15.00 C ATOM 70 CD PRO A 174 8.343 2.713 2.068 1.00 15.00 C ATOM 0 HA PRO A 174 9.716 5.415 1.258 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.427 4.106 -0.264 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.099 4.267 -0.764 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.192 1.915 0.079 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.806 2.437 0.518 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.320 2.362 2.206 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.983 2.076 2.679 1.00 15.00 H new ATOM 78 N ALA A 175 8.280 7.282 0.653 1.00 15.00 N ATOM 79 CA ALA A 175 7.537 8.531 0.621 1.00 15.00 C ATOM 80 C ALA A 175 6.691 8.618 -0.642 1.00 15.00 C ATOM 81 O ALA A 175 7.169 8.353 -1.747 1.00 15.00 O ATOM 82 CB ALA A 175 8.489 9.716 0.709 1.00 15.00 C ATOM 0 H ALA A 175 9.202 7.330 0.220 1.00 15.00 H new ATOM 0 HA ALA A 175 6.870 8.558 1.482 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.918 10.644 0.684 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.052 9.662 1.641 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.179 9.692 -0.134 1.00 15.00 H new ATOM 88 N GLY A 176 5.431 8.991 -0.462 1.00 15.00 N ATOM 89 CA GLY A 176 4.488 9.007 -1.564 1.00 15.00 C ATOM 90 C GLY A 176 3.776 7.678 -1.688 1.00 15.00 C ATOM 91 O GLY A 176 3.120 7.390 -2.694 1.00 15.00 O ATOM 0 H GLY A 176 5.043 9.285 0.434 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.758 9.802 -1.411 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.013 9.231 -2.493 1.00 15.00 H new ATOM 95 N TRP A 177 3.895 6.879 -0.640 1.00 15.00 N ATOM 96 CA TRP A 177 3.281 5.564 -0.591 1.00 15.00 C ATOM 97 C TRP A 177 2.298 5.485 0.570 1.00 15.00 C ATOM 98 O TRP A 177 2.532 6.058 1.639 1.00 15.00 O ATOM 99 CB TRP A 177 4.352 4.477 -0.431 1.00 15.00 C ATOM 100 CG TRP A 177 5.209 4.259 -1.642 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.232 5.047 -2.077 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.134 3.159 -2.557 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.792 4.515 -3.212 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.135 3.357 -3.527 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.316 2.031 -2.655 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.342 2.468 -4.575 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.523 1.148 -3.697 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.530 1.372 -4.644 1.00 15.00 C ATOM 0 H TRP A 177 4.420 7.124 0.200 1.00 15.00 H new ATOM 0 HA TRP A 177 2.747 5.401 -1.527 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.994 4.740 0.409 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.862 3.538 -0.176 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.556 5.959 -1.598 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.570 4.917 -3.735 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.536 1.852 -1.930 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.117 2.638 -5.308 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.898 0.271 -3.783 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.668 0.662 -5.447 1.00 15.00 H new ATOM 119 N GLU A 178 1.206 4.772 0.361 1.00 15.00 N ATOM 120 CA GLU A 178 0.226 4.554 1.408 1.00 15.00 C ATOM 121 C GLU A 178 0.586 3.293 2.176 1.00 15.00 C ATOM 122 O GLU A 178 0.524 2.189 1.630 1.00 15.00 O ATOM 123 CB GLU A 178 -1.177 4.429 0.815 1.00 15.00 C ATOM 124 CG GLU A 178 -2.279 4.432 1.857 1.00 15.00 C ATOM 125 CD GLU A 178 -2.341 5.740 2.614 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.972 6.691 2.107 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.740 5.828 3.707 1.00 15.00 O ATOM 0 H GLU A 178 0.975 4.332 -0.530 1.00 15.00 H new ATOM 0 HA GLU A 178 0.232 5.408 2.086 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.343 5.252 0.120 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.237 3.507 0.237 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.237 4.249 1.371 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.116 3.614 2.559 1.00 15.00 H new ATOM 134 N MET A 179 0.976 3.459 3.428 1.00 15.00 N ATOM 135 CA MET A 179 1.474 2.346 4.222 1.00 15.00 C ATOM 136 C MET A 179 0.406 1.881 5.201 1.00 15.00 C ATOM 137 O MET A 179 0.105 2.582 6.173 1.00 15.00 O ATOM 138 CB MET A 179 2.738 2.754 4.996 1.00 15.00 C ATOM 139 CG MET A 179 3.619 3.762 4.266 1.00 15.00 C ATOM 140 SD MET A 179 4.141 3.203 2.633 1.00 15.00 S ATOM 141 CE MET A 179 5.247 1.867 3.057 1.00 15.00 C ATOM 0 H MET A 179 0.958 4.353 3.918 1.00 15.00 H new ATOM 0 HA MET A 179 1.724 1.529 3.545 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.442 3.175 5.957 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.326 1.861 5.207 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.076 4.702 4.164 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.502 3.968 4.871 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.579 1.367 2.147 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.111 2.265 3.588 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.727 1.152 3.695 1.00 15.00 H new ATOM 151 N ALA A 180 -0.189 0.724 4.939 1.00 15.00 N ATOM 152 CA ALA A 180 -1.199 0.186 5.840 1.00 15.00 C ATOM 153 C ALA A 180 -1.182 -1.337 5.842 1.00 15.00 C ATOM 154 O ALA A 180 -1.096 -1.977 4.792 1.00 15.00 O ATOM 155 CB ALA A 180 -2.577 0.714 5.473 1.00 15.00 C ATOM 0 H ALA A 180 0.007 0.147 4.121 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.962 0.519 6.850 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.319 0.301 6.157 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.581 1.802 5.546 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.820 0.418 4.452 1.00 15.00 H new ATOM 161 N LYS A 181 -1.249 -1.905 7.033 1.00 15.00 N ATOM 162 CA LYS A 181 -1.193 -3.347 7.206 1.00 15.00 C ATOM 163 C LYS A 181 -2.419 -3.828 7.973 1.00 15.00 C ATOM 164 O LYS A 181 -2.710 -3.329 9.060 1.00 15.00 O ATOM 165 CB LYS A 181 0.086 -3.716 7.966 1.00 15.00 C ATOM 166 CG LYS A 181 1.358 -3.251 7.275 1.00 15.00 C ATOM 167 CD LYS A 181 2.544 -3.255 8.224 1.00 15.00 C ATOM 168 CE LYS A 181 3.821 -2.815 7.525 1.00 15.00 C ATOM 169 NZ LYS A 181 4.947 -2.647 8.482 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.343 -1.383 7.904 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.183 -3.831 6.229 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.044 -3.280 8.964 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.125 -4.798 8.092 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.569 -3.900 6.425 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.211 -2.246 6.880 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.341 -2.591 9.064 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.679 -4.256 8.634 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.094 -3.552 6.769 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.644 -1.874 7.004 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.799 -2.347 7.967 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.697 -1.926 9.188 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.133 -3.551 8.961 1.00 15.00 H new ATOM 183 N THR A 182 -3.138 -4.789 7.413 1.00 15.00 N ATOM 184 CA THR A 182 -4.334 -5.307 8.059 1.00 15.00 C ATOM 185 C THR A 182 -3.979 -6.477 8.969 1.00 15.00 C ATOM 186 O THR A 182 -3.060 -7.253 8.667 1.00 15.00 O ATOM 187 CB THR A 182 -5.385 -5.780 7.032 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.918 -6.953 6.356 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.678 -4.696 6.003 1.00 15.00 C ATOM 0 H THR A 182 -2.916 -5.224 6.518 1.00 15.00 H new ATOM 0 HA THR A 182 -4.760 -4.490 8.642 1.00 15.00 H new ATOM 0 HB THR A 182 -6.303 -6.004 7.576 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.605 -7.265 5.731 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.422 -5.059 5.294 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.061 -3.809 6.508 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.761 -4.443 5.470 1.00 15.00 H new ATOM 197 N SER A 183 -4.711 -6.605 10.074 1.00 15.00 N ATOM 198 CA SER A 183 -4.530 -7.715 11.000 1.00 15.00 C ATOM 199 C SER A 183 -4.928 -9.036 10.345 1.00 15.00 C ATOM 200 O SER A 183 -4.616 -10.117 10.847 1.00 15.00 O ATOM 201 CB SER A 183 -5.349 -7.480 12.272 1.00 15.00 C ATOM 202 OG SER A 183 -6.718 -7.252 11.967 1.00 15.00 O ATOM 0 H SER A 183 -5.440 -5.947 10.349 1.00 15.00 H new ATOM 0 HA SER A 183 -3.475 -7.773 11.268 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.259 -8.344 12.930 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.947 -6.624 12.814 1.00 15.00 H new ATOM 0 HG SER A 183 -7.218 -7.107 12.797 1.00 15.00 H new ATOM 208 N SER A 184 -5.633 -8.931 9.226 1.00 15.00 N ATOM 209 CA SER A 184 -5.964 -10.082 8.396 1.00 15.00 C ATOM 210 C SER A 184 -4.701 -10.686 7.784 1.00 15.00 C ATOM 211 O SER A 184 -4.719 -11.799 7.258 1.00 15.00 O ATOM 212 CB SER A 184 -6.938 -9.671 7.295 1.00 15.00 C ATOM 213 OG SER A 184 -8.063 -9.010 7.839 1.00 15.00 O ATOM 0 H SER A 184 -5.991 -8.046 8.868 1.00 15.00 H new ATOM 0 HA SER A 184 -6.437 -10.837 9.024 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.434 -9.016 6.584 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.261 -10.553 6.742 1.00 15.00 H new ATOM 0 HG SER A 184 -8.673 -8.754 7.116 1.00 15.00 H new ATOM 219 N GLY A 185 -3.613 -9.929 7.838 1.00 15.00 N ATOM 220 CA GLY A 185 -2.374 -10.357 7.234 1.00 15.00 C ATOM 221 C GLY A 185 -2.260 -9.892 5.801 1.00 15.00 C ATOM 222 O GLY A 185 -1.865 -10.654 4.920 1.00 15.00 O ATOM 0 H GLY A 185 -3.571 -9.018 8.295 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.535 -9.968 7.811 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.308 -11.444 7.270 1.00 15.00 H new ATOM 226 N GLN A 186 -2.623 -8.636 5.567 1.00 15.00 N ATOM 227 CA GLN A 186 -2.470 -8.024 4.254 1.00 15.00 C ATOM 228 C GLN A 186 -1.632 -6.761 4.363 1.00 15.00 C ATOM 229 O GLN A 186 -2.056 -5.770 4.957 1.00 15.00 O ATOM 230 CB GLN A 186 -3.826 -7.695 3.623 1.00 15.00 C ATOM 231 CG GLN A 186 -4.570 -8.913 3.097 1.00 15.00 C ATOM 232 CD GLN A 186 -5.968 -8.588 2.602 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.870 -9.420 2.669 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.154 -7.377 2.099 1.00 15.00 N ATOM 0 H GLN A 186 -3.027 -8.020 6.273 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.965 -8.743 3.609 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.448 -7.192 4.363 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.674 -6.992 2.804 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.997 -9.358 2.283 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.635 -9.661 3.887 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.378 -6.716 2.062 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.073 -7.106 1.749 1.00 15.00 H new ATOM 243 N ARG A 187 -0.433 -6.817 3.812 1.00 15.00 N ATOM 244 CA ARG A 187 0.460 -5.670 3.803 1.00 15.00 C ATOM 245 C ARG A 187 0.444 -5.015 2.425 1.00 15.00 C ATOM 246 O ARG A 187 1.080 -5.501 1.493 1.00 15.00 O ATOM 247 CB ARG A 187 1.885 -6.098 4.195 1.00 15.00 C ATOM 248 CG ARG A 187 2.376 -7.336 3.457 1.00 15.00 C ATOM 249 CD ARG A 187 3.669 -7.880 4.044 1.00 15.00 C ATOM 250 NE ARG A 187 4.818 -6.999 3.825 1.00 15.00 N ATOM 251 CZ ARG A 187 6.080 -7.433 3.820 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.331 -8.727 3.981 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.087 -6.588 3.639 1.00 15.00 N ATOM 0 H ARG A 187 -0.052 -7.650 3.362 1.00 15.00 H new ATOM 0 HA ARG A 187 0.116 -4.941 4.537 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.570 -5.273 3.999 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.916 -6.289 5.268 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.608 -8.109 3.496 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.530 -7.093 2.406 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.537 -8.035 5.115 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.878 -8.855 3.604 1.00 15.00 H new ATOM 0 HE ARG A 187 4.646 -6.006 3.669 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.561 -9.384 4.108 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.294 -9.064 3.978 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.901 -5.595 3.502 1.00 15.00 H new ATOM 0 HH22 ARG A 187 8.047 -6.932 3.637 1.00 15.00 H new ATOM 267 N TYR A 188 -0.320 -3.942 2.280 1.00 15.00 N ATOM 268 CA TYR A 188 -0.445 -3.287 0.989 1.00 15.00 C ATOM 269 C TYR A 188 0.186 -1.908 1.026 1.00 15.00 C ATOM 270 O TYR A 188 0.188 -1.225 2.062 1.00 15.00 O ATOM 271 CB TYR A 188 -1.915 -3.197 0.548 1.00 15.00 C ATOM 272 CG TYR A 188 -2.817 -2.436 1.492 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.766 -1.050 1.576 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.727 -3.106 2.295 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.585 -0.358 2.442 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.555 -2.418 3.161 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.479 -1.052 3.235 1.00 15.00 C ATOM 278 OH TYR A 188 -5.294 -0.378 4.116 1.00 15.00 O ATOM 0 H TYR A 188 -0.857 -3.511 3.033 1.00 15.00 H new ATOM 0 HA TYR A 188 0.087 -3.893 0.255 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -1.957 -2.723 -0.433 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.306 -4.207 0.430 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.073 -0.506 0.952 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.790 -4.183 2.243 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.528 0.719 2.500 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.260 -2.955 3.778 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.861 -1.019 4.593 1.00 15.00 H new ATOM 288 N PHE A 189 0.714 -1.509 -0.115 1.00 15.00 N ATOM 289 CA PHE A 189 1.340 -0.216 -0.258 1.00 15.00 C ATOM 290 C PHE A 189 0.819 0.460 -1.521 1.00 15.00 C ATOM 291 O PHE A 189 0.939 -0.077 -2.620 1.00 15.00 O ATOM 292 CB PHE A 189 2.864 -0.368 -0.311 1.00 15.00 C ATOM 293 CG PHE A 189 3.421 -1.198 0.815 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.529 -0.679 2.094 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.831 -2.499 0.592 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.034 -1.442 3.129 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.337 -3.267 1.621 1.00 15.00 C ATOM 298 CZ PHE A 189 4.440 -2.738 2.892 1.00 15.00 C ATOM 0 H PHE A 189 0.719 -2.073 -0.965 1.00 15.00 H new ATOM 0 HA PHE A 189 1.093 0.405 0.603 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.144 -0.823 -1.261 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.322 0.621 -0.285 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.214 0.336 2.285 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.754 -2.920 -0.400 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.111 -1.024 4.122 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.653 -4.282 1.432 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.837 -3.337 3.698 1.00 15.00 H new ATOM 308 N LEU A 190 0.221 1.625 -1.359 1.00 15.00 N ATOM 309 CA LEU A 190 -0.295 2.375 -2.495 1.00 15.00 C ATOM 310 C LEU A 190 0.760 3.310 -3.051 1.00 15.00 C ATOM 311 O LEU A 190 1.485 3.938 -2.291 1.00 15.00 O ATOM 312 CB LEU A 190 -1.469 3.259 -2.087 1.00 15.00 C ATOM 313 CG LEU A 190 -2.871 2.680 -2.175 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.814 3.795 -2.611 1.00 15.00 C ATOM 315 CD2 LEU A 190 -2.937 1.499 -3.136 1.00 15.00 C ATOM 0 H LEU A 190 0.079 2.074 -0.454 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.600 1.635 -3.235 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.304 3.576 -1.057 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.440 4.156 -2.705 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.167 2.296 -1.199 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.830 3.406 -2.682 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.786 4.602 -1.879 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.502 4.176 -3.584 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -3.956 1.114 -3.170 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.638 1.824 -4.133 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.264 0.713 -2.794 1.00 15.00 H new ATOM 327 N ASN A 191 0.823 3.450 -4.364 1.00 15.00 N ATOM 328 CA ASN A 191 1.592 4.529 -4.941 1.00 15.00 C ATOM 329 C ASN A 191 0.671 5.724 -5.087 1.00 15.00 C ATOM 330 O ASN A 191 -0.103 5.782 -6.045 1.00 15.00 O ATOM 331 CB ASN A 191 2.168 4.187 -6.322 1.00 15.00 C ATOM 332 CG ASN A 191 2.912 2.869 -6.391 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.507 1.870 -5.801 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.011 2.861 -7.127 1.00 15.00 N ATOM 0 H ASN A 191 0.359 2.840 -5.037 1.00 15.00 H new ATOM 0 HA ASN A 191 2.437 4.729 -4.282 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.353 4.166 -7.045 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.844 4.986 -6.626 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.556 2.004 -7.221 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.314 3.712 -7.601 1.00 15.00 H new ATOM 341 N HIS A 192 0.718 6.650 -4.125 1.00 15.00 N ATOM 342 CA HIS A 192 -0.136 7.842 -4.169 1.00 15.00 C ATOM 343 C HIS A 192 0.343 8.787 -5.268 1.00 15.00 C ATOM 344 O HIS A 192 -0.258 9.831 -5.513 1.00 15.00 O ATOM 345 CB HIS A 192 -0.146 8.585 -2.823 1.00 15.00 C ATOM 346 CG HIS A 192 -1.320 8.263 -1.933 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.547 8.891 -2.034 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.438 7.393 -0.902 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.359 8.424 -1.106 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.716 7.514 -0.402 1.00 15.00 N ATOM 0 H HIS A 192 1.333 6.599 -3.312 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.153 7.511 -4.381 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.774 8.350 -2.287 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.137 9.658 -3.016 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.670 6.726 -0.538 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.381 8.735 -0.949 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.100 6.987 0.382 1.00 15.00 H new ATOM 359 N ILE A 193 1.453 8.425 -5.901 1.00 15.00 N ATOM 360 CA ILE A 193 1.999 9.197 -7.006 1.00 15.00 C ATOM 361 C ILE A 193 1.669 8.529 -8.339 1.00 15.00 C ATOM 362 O ILE A 193 1.327 9.194 -9.315 1.00 15.00 O ATOM 363 CB ILE A 193 3.533 9.341 -6.881 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.908 9.879 -5.498 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.076 10.256 -7.971 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.400 9.902 -5.238 1.00 15.00 C ATOM 0 H ILE A 193 1.995 7.594 -5.664 1.00 15.00 H new ATOM 0 HA ILE A 193 1.545 10.187 -6.970 1.00 15.00 H new ATOM 0 HB ILE A 193 3.982 8.355 -7.004 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.514 10.890 -5.392 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.425 9.267 -4.736 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.157 10.345 -7.866 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.839 9.837 -8.949 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.620 11.242 -7.879 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.589 10.295 -4.239 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.798 8.890 -5.311 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.888 10.538 -5.977 1.00 15.00 H new ATOM 378 N ASP A 194 1.766 7.204 -8.369 1.00 15.00 N ATOM 379 CA ASP A 194 1.564 6.442 -9.601 1.00 15.00 C ATOM 380 C ASP A 194 0.100 6.067 -9.794 1.00 15.00 C ATOM 381 O ASP A 194 -0.293 5.634 -10.880 1.00 15.00 O ATOM 382 CB ASP A 194 2.410 5.164 -9.609 1.00 15.00 C ATOM 383 CG ASP A 194 3.896 5.421 -9.468 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.574 5.616 -10.502 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.397 5.405 -8.327 1.00 15.00 O1- ATOM 0 H ASP A 194 1.984 6.632 -7.553 1.00 15.00 H new ATOM 0 HA ASP A 194 1.877 7.088 -10.422 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.083 4.516 -8.796 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.229 4.624 -10.539 1.00 15.00 H new ATOM 390 N GLN A 195 -0.693 6.191 -8.727 1.00 15.00 N ATOM 391 CA GLN A 195 -2.108 5.809 -8.755 1.00 15.00 C ATOM 392 C GLN A 195 -2.226 4.299 -8.964 1.00 15.00 C ATOM 393 O GLN A 195 -3.119 3.805 -9.653 1.00 15.00 O ATOM 394 CB GLN A 195 -2.849 6.600 -9.856 1.00 15.00 C ATOM 395 CG GLN A 195 -4.347 6.333 -9.935 1.00 15.00 C ATOM 396 CD GLN A 195 -5.038 7.177 -10.986 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.430 7.571 -11.980 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.319 7.443 -10.784 1.00 15.00 N ATOM 0 H GLN A 195 -0.377 6.555 -7.828 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.577 6.056 -7.802 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.692 7.665 -9.687 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.400 6.361 -10.820 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.513 5.278 -10.156 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.799 6.530 -8.963 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.786 7.097 -9.946 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.839 7.994 -11.467 1.00 15.00 H new ATOM 407 N THR A 196 -1.343 3.556 -8.314 1.00 15.00 N ATOM 408 CA THR A 196 -1.338 2.109 -8.463 1.00 15.00 C ATOM 409 C THR A 196 -1.320 1.408 -7.115 1.00 15.00 C ATOM 410 O THR A 196 -0.766 1.921 -6.138 1.00 15.00 O ATOM 411 CB THR A 196 -0.134 1.616 -9.298 1.00 15.00 C ATOM 412 OG1 THR A 196 1.092 2.110 -8.743 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.244 2.060 -10.748 1.00 15.00 C ATOM 0 H THR A 196 -0.629 3.925 -7.686 1.00 15.00 H new ATOM 0 HA THR A 196 -2.259 1.858 -8.989 1.00 15.00 H new ATOM 0 HB THR A 196 -0.139 0.526 -9.268 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.847 1.789 -9.280 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.619 1.696 -11.306 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.156 1.654 -11.185 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.273 3.149 -10.794 1.00 15.00 H new ATOM 421 N THR A 197 -1.930 0.236 -7.076 1.00 15.00 N ATOM 422 CA THR A 197 -1.945 -0.585 -5.883 1.00 15.00 C ATOM 423 C THR A 197 -0.787 -1.583 -5.920 1.00 15.00 C ATOM 424 O THR A 197 -0.476 -2.145 -6.971 1.00 15.00 O ATOM 425 CB THR A 197 -3.281 -1.346 -5.759 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.367 -0.467 -6.086 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.466 -1.878 -4.344 1.00 15.00 C ATOM 0 H THR A 197 -2.427 -0.170 -7.869 1.00 15.00 H new ATOM 0 HA THR A 197 -1.834 0.068 -5.017 1.00 15.00 H new ATOM 0 HB THR A 197 -3.267 -2.189 -6.450 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.215 -0.952 -6.009 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.414 -2.412 -4.277 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.649 -2.558 -4.101 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.467 -1.046 -3.640 1.00 15.00 H new ATOM 435 N THR A 198 -0.137 -1.780 -4.785 1.00 15.00 N ATOM 436 CA THR A 198 0.987 -2.697 -4.703 1.00 15.00 C ATOM 437 C THR A 198 0.786 -3.705 -3.561 1.00 15.00 C ATOM 438 O THR A 198 0.507 -3.311 -2.426 1.00 15.00 O ATOM 439 CB THR A 198 2.298 -1.911 -4.494 1.00 15.00 C ATOM 440 OG1 THR A 198 2.477 -0.977 -5.571 1.00 15.00 O ATOM 441 CG2 THR A 198 3.502 -2.835 -4.423 1.00 15.00 C ATOM 0 H THR A 198 -0.369 -1.316 -3.907 1.00 15.00 H new ATOM 0 HA THR A 198 1.049 -3.249 -5.641 1.00 15.00 H new ATOM 0 HB THR A 198 2.222 -1.381 -3.544 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.414 -0.062 -5.225 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.406 -2.244 -4.275 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.381 -3.527 -3.590 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.584 -3.398 -5.353 1.00 15.00 H new ATOM 449 N TRP A 199 0.903 -5.003 -3.868 1.00 15.00 N ATOM 450 CA TRP A 199 0.771 -6.049 -2.858 1.00 15.00 C ATOM 451 C TRP A 199 2.121 -6.374 -2.230 1.00 15.00 C ATOM 452 O TRP A 199 2.208 -6.702 -1.048 1.00 15.00 O ATOM 453 CB TRP A 199 0.225 -7.348 -3.462 1.00 15.00 C ATOM 454 CG TRP A 199 -1.260 -7.553 -3.397 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.041 -8.038 -4.403 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.147 -7.304 -2.295 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.332 -8.166 -3.987 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.425 -7.721 -2.708 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.002 -6.788 -0.999 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.526 -7.654 -1.888 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.130 -6.698 -0.197 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.375 -7.147 -0.660 1.00 15.00 C ATOM 0 H TRP A 199 1.089 -5.349 -4.809 1.00 15.00 H new ATOM 0 HA TRP A 199 0.080 -5.666 -2.107 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.528 -7.390 -4.508 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.706 -8.186 -2.957 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.686 -8.286 -5.392 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.102 -8.535 -4.545 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.037 -6.469 -0.635 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.490 -8.003 -2.227 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.049 -6.278 0.795 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.234 -7.082 -0.008 1.00 15.00 H new ATOM 473 N GLN A 200 3.168 -6.330 -3.045 1.00 15.00 N ATOM 474 CA GLN A 200 4.478 -6.787 -2.614 1.00 15.00 C ATOM 475 C GLN A 200 5.354 -5.607 -2.219 1.00 15.00 C ATOM 476 O GLN A 200 5.458 -4.627 -2.954 1.00 15.00 O ATOM 477 CB GLN A 200 5.138 -7.606 -3.725 1.00 15.00 C ATOM 478 CG GLN A 200 6.247 -8.515 -3.225 1.00 15.00 C ATOM 479 CD GLN A 200 6.762 -9.455 -4.295 1.00 15.00 C ATOM 480 OE1 GLN A 200 7.706 -9.142 -5.009 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.144 -10.619 -4.408 1.00 15.00 N ATOM 0 H GLN A 200 3.133 -5.984 -4.004 1.00 15.00 H new ATOM 0 HA GLN A 200 4.357 -7.424 -1.738 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.379 -8.210 -4.221 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.545 -6.927 -4.474 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.072 -7.905 -2.856 1.00 15.00 H new ATOM 0 HG3 GLN A 200 5.879 -9.099 -2.381 1.00 15.00 H new ATOM 0 HE21 GLN A 200 5.361 -10.842 -3.794 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.451 -11.293 -5.109 1.00 15.00 H new ATOM 490 N ASP A 201 6.002 -5.735 -1.068 1.00 15.00 N ATOM 491 CA ASP A 201 6.771 -4.646 -0.465 1.00 15.00 C ATOM 492 C ASP A 201 7.786 -4.051 -1.445 1.00 15.00 C ATOM 493 O ASP A 201 8.697 -4.741 -1.905 1.00 15.00 O ATOM 494 CB ASP A 201 7.494 -5.163 0.776 1.00 15.00 C ATOM 495 CG ASP A 201 7.918 -4.051 1.711 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.771 -3.229 1.325 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.414 -4.015 2.855 1.00 15.00 O1- ATOM 0 H ASP A 201 6.011 -6.597 -0.523 1.00 15.00 H new ATOM 0 HA ASP A 201 6.074 -3.854 -0.192 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.841 -5.853 1.311 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.373 -5.729 0.470 1.00 15.00 H new ATOM 502 N PRO A 202 7.637 -2.754 -1.778 1.00 15.00 N ATOM 503 CA PRO A 202 8.519 -2.062 -2.727 1.00 15.00 C ATOM 504 C PRO A 202 9.980 -2.005 -2.279 1.00 15.00 C ATOM 505 O PRO A 202 10.866 -1.715 -3.081 1.00 15.00 O ATOM 506 CB PRO A 202 7.936 -0.645 -2.820 1.00 15.00 C ATOM 507 CG PRO A 202 7.040 -0.494 -1.638 1.00 15.00 C ATOM 508 CD PRO A 202 6.569 -1.875 -1.279 1.00 15.00 C ATOM 0 HA PRO A 202 8.546 -2.592 -3.679 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.727 0.105 -2.809 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.383 -0.510 -3.749 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.572 -0.037 -0.804 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.196 0.155 -1.872 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.433 -1.983 -0.203 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.612 -2.105 -1.747 1.00 15.00 H new ATOM 609 N PRO B 207 -8.887 -8.888 -3.330 1.00 15.00 N ATOM 610 CA PRO B 207 -8.747 -7.523 -3.864 1.00 15.00 C ATOM 611 C PRO B 207 -8.459 -6.500 -2.770 1.00 15.00 C ATOM 612 O PRO B 207 -9.124 -6.485 -1.731 1.00 15.00 O ATOM 613 CB PRO B 207 -10.112 -7.240 -4.511 1.00 15.00 C ATOM 614 CG PRO B 207 -11.000 -8.372 -4.106 1.00 15.00 C ATOM 615 CD PRO B 207 -10.096 -9.538 -3.839 1.00 15.00 C ATOM 0 HA PRO B 207 -7.910 -7.447 -4.558 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.515 -6.286 -4.171 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.025 -7.181 -5.596 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.577 -8.115 -3.218 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.716 -8.607 -4.894 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.525 -10.226 -3.110 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.898 -10.114 -4.743 1.00 15.00 H new ATOM 623 N PRO B 208 -7.487 -5.606 -3.006 1.00 15.00 N ATOM 624 CA PRO B 208 -6.916 -4.730 -2.006 1.00 15.00 C ATOM 625 C PRO B 208 -7.658 -3.384 -1.997 1.00 15.00 C ATOM 626 O PRO B 208 -8.614 -3.195 -2.761 1.00 15.00 O ATOM 627 CB PRO B 208 -5.444 -4.595 -2.516 1.00 15.00 C ATOM 628 CG PRO B 208 -5.445 -5.232 -3.877 1.00 15.00 C ATOM 629 CD PRO B 208 -6.877 -5.239 -4.270 1.00 15.00 C ATOM 0 HA PRO B 208 -6.981 -5.092 -0.980 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.139 -3.550 -2.569 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.746 -5.097 -1.846 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.840 -4.664 -4.584 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.035 -6.241 -3.845 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.215 -4.267 -4.628 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.088 -5.961 -5.059 1.00 15.00 H new ATOM 637 N PRO B 209 -7.252 -2.447 -1.129 1.00 15.00 N ATOM 638 CA PRO B 209 -7.871 -1.115 -1.015 1.00 15.00 C ATOM 639 C PRO B 209 -8.050 -0.406 -2.355 1.00 15.00 C ATOM 640 O PRO B 209 -7.170 -0.458 -3.219 1.00 15.00 O ATOM 641 CB PRO B 209 -6.852 -0.323 -0.187 1.00 15.00 C ATOM 642 CG PRO B 209 -5.646 -1.189 -0.099 1.00 15.00 C ATOM 643 CD PRO B 209 -6.153 -2.589 -0.181 1.00 15.00 C ATOM 0 HA PRO B 209 -8.870 -1.194 -0.586 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.617 0.629 -0.662 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.244 -0.096 0.804 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.950 -0.976 -0.910 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.109 -1.020 0.834 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.390 -3.281 -0.538 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.492 -2.960 0.787 1.00 15.00 H new ATOM 651 N PRO B 210 -9.188 0.276 -2.534 1.00 15.00 N ATOM 652 CA PRO B 210 -9.400 1.169 -3.668 1.00 15.00 C ATOM 653 C PRO B 210 -8.480 2.383 -3.570 1.00 15.00 C ATOM 654 O PRO B 210 -8.325 2.966 -2.495 1.00 15.00 O ATOM 655 CB PRO B 210 -10.870 1.596 -3.538 1.00 15.00 C ATOM 656 CG PRO B 210 -11.476 0.648 -2.559 1.00 15.00 C ATOM 657 CD PRO B 210 -10.359 0.228 -1.650 1.00 15.00 C ATOM 0 HA PRO B 210 -9.184 0.693 -4.624 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.950 2.625 -3.188 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.380 1.546 -4.500 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.278 1.126 -1.997 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.911 -0.213 -3.067 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.253 0.903 -0.800 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.520 -0.771 -1.245 1.00 15.00 H new ATOM 665 N TYR B 211 -7.897 2.772 -4.691 1.00 15.00 N ATOM 666 CA TYR B 211 -6.910 3.845 -4.720 1.00 15.00 C ATOM 667 C TYR B 211 -7.515 5.222 -4.401 1.00 15.00 C ATOM 668 O TYR B 211 -6.778 6.174 -4.158 1.00 15.00 O ATOM 669 CB TYR B 211 -6.163 3.888 -6.071 1.00 15.00 C ATOM 670 CG TYR B 211 -5.210 5.062 -6.173 1.00 15.00 C ATOM 671 CD1 TYR B 211 -3.941 4.985 -5.628 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.600 6.262 -6.761 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.085 6.062 -5.659 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.743 7.346 -6.804 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.488 7.241 -6.247 1.00 15.00 C ATOM 676 OH TYR B 211 -2.631 8.315 -6.279 1.00 15.00 O ATOM 0 H TYR B 211 -8.091 2.358 -5.603 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.194 3.616 -3.930 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.606 2.960 -6.204 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.889 3.943 -6.882 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.616 4.063 -5.170 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.587 6.348 -7.190 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.100 5.983 -5.224 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.055 8.268 -7.271 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.067 9.068 -6.729 1.00 15.00 H new ATOM 686 N SER B 212 -8.841 5.326 -4.335 1.00 15.00 N ATOM 687 CA SER B 212 -9.502 6.616 -4.506 1.00 15.00 C ATOM 688 C SER B 212 -9.024 7.633 -3.466 1.00 15.00 C ATOM 689 O SER B 212 -8.351 8.599 -3.840 1.00 15.00 O ATOM 690 CB SER B 212 -11.020 6.443 -4.434 1.00 15.00 C ATOM 691 OG SER B 212 -11.695 7.546 -5.019 1.00 15.00 O ATOM 0 H SER B 212 -9.472 4.542 -4.166 1.00 15.00 H new ATOM 0 HA SER B 212 -9.237 7.004 -5.489 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.308 5.525 -4.946 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.327 6.337 -3.393 1.00 15.00 H new ATOM 0 HG SER B 212 -12.663 7.406 -4.960 1.00 15.00 H new ATOM 697 N ARG B 213 -9.348 7.478 -2.186 1.00 15.00 N ATOM 698 CA ARG B 213 -8.687 8.328 -1.201 1.00 15.00 C ATOM 699 C ARG B 213 -7.907 7.529 -0.162 1.00 15.00 C ATOM 700 O ARG B 213 -6.678 7.507 -0.183 1.00 15.00 O ATOM 701 CB ARG B 213 -9.706 9.228 -0.496 1.00 15.00 C ATOM 702 CG ARG B 213 -10.264 10.330 -1.380 1.00 15.00 C ATOM 703 CD ARG B 213 -9.166 11.260 -1.873 1.00 15.00 C ATOM 704 NE ARG B 213 -9.685 12.287 -2.771 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.922 13.125 -3.470 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.601 13.106 -3.342 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.487 13.999 -4.289 1.00 15.00 N ATOM 0 H ARG B 213 -10.026 6.810 -1.819 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.972 8.939 -1.751 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.530 8.614 -0.133 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.236 9.679 0.378 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.778 9.888 -2.233 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -11.005 10.904 -0.824 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.682 11.735 -1.020 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.402 10.678 -2.389 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.697 12.368 -2.869 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.160 12.445 -2.703 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.027 13.753 -3.883 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.502 14.028 -4.382 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.907 14.643 -4.827 1.00 15.00 H new ATOM 721 N TYR B 214 -8.625 6.850 0.728 1.00 15.00 N ATOM 722 CA TYR B 214 -7.993 6.067 1.786 1.00 15.00 C ATOM 723 C TYR B 214 -8.395 4.598 1.710 1.00 15.00 C ATOM 724 O TYR B 214 -9.559 4.291 1.461 1.00 15.00 O ATOM 725 CB TYR B 214 -8.299 6.679 3.161 1.00 15.00 C ATOM 726 CG TYR B 214 -7.396 7.855 3.494 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.193 8.881 2.579 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.730 7.931 4.712 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.358 9.942 2.859 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.893 8.996 5.005 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.711 9.998 4.071 1.00 15.00 C ATOM 732 OH TYR B 214 -4.881 11.064 4.349 1.00 15.00 O ATOM 0 H TYR B 214 -9.645 6.826 0.738 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.913 6.101 1.640 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.338 7.006 3.185 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.188 5.913 3.928 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.701 8.847 1.627 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.867 7.147 5.442 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.213 10.725 2.130 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.386 9.043 5.958 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.500 10.957 5.246 1.00 15.00 H new ATOM 742 N PRO B 215 -7.445 3.683 1.958 1.00 15.00 N ATOM 743 CA PRO B 215 -7.700 2.237 1.926 1.00 15.00 C ATOM 744 C PRO B 215 -8.743 1.790 2.948 1.00 15.00 C ATOM 745 O PRO B 215 -9.834 1.354 2.586 1.00 15.00 O ATOM 746 CB PRO B 215 -6.335 1.621 2.255 1.00 15.00 C ATOM 747 CG PRO B 215 -5.350 2.690 1.953 1.00 15.00 C ATOM 748 CD PRO B 215 -6.040 3.981 2.270 1.00 15.00 C ATOM 0 HA PRO B 215 -8.105 1.928 0.962 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.280 1.317 3.300 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.148 0.731 1.654 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.448 2.571 2.553 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.044 2.656 0.907 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.909 4.264 3.314 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.657 4.804 1.666 1.00 15.00 H new