USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 292 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 301 HIS : no HE2:sc= 1.22 K(o=2.3,f=-7.8!) USER MOD Set 1.2: B 211 TYR OH : rot 35:sc= 1.03! USER MOD Set 2.1: A 305 THR OG1 : rot -120:sc= 0.912 USER MOD Set 2.2: A 307 GLN : amide:sc= -0.183 K(o=0.73,f=-0.57) USER MOD Single : A 290 SER OG : rot 180:sc= -0.434 USER MOD Single : A 291 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 293 SER OG : rot -23:sc= 0.217 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 1.1 K(o=1.1,f=-0.16) USER MOD Single : A 303 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.6!) USER MOD Single : A 306 THR OG1 : rot -155:sc= 0.752 USER MOD Single : A 309 THR OG1 : 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 43 N PRO A 283 9.193 5.199 -6.360 1.00 15.00 N ATOM 44 CA PRO A 283 8.571 5.526 -7.651 1.00 15.00 C ATOM 45 C PRO A 283 7.194 6.183 -7.484 1.00 15.00 C ATOM 46 O PRO A 283 6.385 5.720 -6.677 1.00 15.00 O ATOM 47 CB PRO A 283 8.424 4.160 -8.342 1.00 15.00 C ATOM 48 CG PRO A 283 8.612 3.148 -7.265 1.00 15.00 C ATOM 49 CD PRO A 283 9.542 3.776 -6.272 1.00 15.00 C ATOM 0 HA PRO A 283 9.169 6.242 -8.215 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.444 4.059 -8.809 1.00 15.00 H new ATOM 0 HB3 PRO A 283 9.167 4.037 -9.130 1.00 15.00 H new ATOM 0 HG2 PRO A 283 7.660 2.890 -6.800 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.032 2.225 -7.665 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.388 3.382 -5.267 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.587 3.599 -6.527 1.00 15.00 H new ATOM 57 N PRO A 284 6.895 7.253 -8.260 1.00 15.00 N ATOM 58 CA PRO A 284 5.600 7.962 -8.185 1.00 15.00 C ATOM 59 C PRO A 284 4.387 7.077 -8.505 1.00 15.00 C ATOM 60 O PRO A 284 3.244 7.529 -8.432 1.00 15.00 O ATOM 61 CB PRO A 284 5.720 9.061 -9.245 1.00 15.00 C ATOM 62 CG PRO A 284 7.178 9.232 -9.474 1.00 15.00 C ATOM 63 CD PRO A 284 7.805 7.888 -9.236 1.00 15.00 C ATOM 0 HA PRO A 284 5.425 8.323 -7.171 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.209 8.777 -10.165 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.265 9.990 -8.901 1.00 15.00 H new ATOM 0 HG2 PRO A 284 7.374 9.578 -10.489 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.592 9.979 -8.797 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.874 7.308 -10.157 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.817 7.981 -8.841 1.00 15.00 H new ATOM 71 N GLY A 285 4.638 5.831 -8.880 1.00 15.00 N ATOM 72 CA GLY A 285 3.557 4.903 -9.151 1.00 15.00 C ATOM 73 C GLY A 285 3.039 4.257 -7.883 1.00 15.00 C ATOM 74 O GLY A 285 1.955 3.668 -7.869 1.00 15.00 O ATOM 0 H GLY A 285 5.574 5.444 -9.002 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.743 5.429 -9.650 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.905 4.130 -9.837 1.00 15.00 H new ATOM 78 N TRP A 286 3.817 4.381 -6.815 1.00 15.00 N ATOM 79 CA TRP A 286 3.472 3.792 -5.533 1.00 15.00 C ATOM 80 C TRP A 286 2.769 4.804 -4.642 1.00 15.00 C ATOM 81 O TRP A 286 3.380 5.777 -4.199 1.00 15.00 O ATOM 82 CB TRP A 286 4.735 3.257 -4.834 1.00 15.00 C ATOM 83 CG TRP A 286 5.118 1.892 -5.308 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.340 1.513 -6.601 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.298 0.714 -4.506 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.623 0.174 -6.659 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.601 -0.341 -5.393 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.228 0.434 -3.132 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.820 -1.643 -4.960 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.440 -0.863 -2.715 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.727 -1.887 -3.621 1.00 15.00 C ATOM 0 H TRP A 286 4.700 4.891 -6.815 1.00 15.00 H new ATOM 0 HA TRP A 286 2.789 2.962 -5.713 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.562 3.944 -5.010 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.567 3.230 -3.757 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.298 2.173 -7.454 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.819 -0.354 -7.510 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.013 1.216 -2.419 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.055 -2.433 -5.658 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.383 -1.093 -1.661 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.878 -2.891 -3.254 1.00 15.00 H new ATOM 102 N GLU A 287 1.479 4.593 -4.397 1.00 15.00 N ATOM 103 CA GLU A 287 0.767 5.424 -3.447 1.00 15.00 C ATOM 104 C GLU A 287 0.751 4.716 -2.099 1.00 15.00 C ATOM 105 O GLU A 287 0.286 3.579 -1.977 1.00 15.00 O ATOM 106 CB GLU A 287 -0.644 5.750 -3.953 1.00 15.00 C ATOM 107 CG GLU A 287 -1.606 6.226 -2.867 1.00 15.00 C ATOM 108 CD GLU A 287 -1.238 7.575 -2.269 1.00 15.00 C ATOM 109 OE1 GLU A 287 -0.052 7.795 -1.946 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -2.143 8.421 -2.110 1.00 15.00 O ATOM 0 H GLU A 287 0.918 3.864 -4.838 1.00 15.00 H new ATOM 0 HA GLU A 287 1.276 6.381 -3.331 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.573 6.519 -4.722 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.061 4.862 -4.428 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.611 6.287 -3.286 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.637 5.482 -2.071 1.00 15.00 H new ATOM 117 N VAL A 288 1.277 5.392 -1.096 1.00 15.00 N ATOM 118 CA VAL A 288 1.532 4.780 0.191 1.00 15.00 C ATOM 119 C VAL A 288 0.636 5.363 1.280 1.00 15.00 C ATOM 120 O VAL A 288 0.695 6.554 1.590 1.00 15.00 O ATOM 121 CB VAL A 288 3.025 4.925 0.568 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.506 6.358 0.393 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.277 4.448 1.985 1.00 15.00 C ATOM 0 H VAL A 288 1.538 6.376 -1.151 1.00 15.00 H new ATOM 0 HA VAL A 288 1.294 3.719 0.110 1.00 15.00 H new ATOM 0 HB VAL A 288 3.596 4.294 -0.113 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.559 6.424 0.667 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.382 6.659 -0.647 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.922 7.019 1.034 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.334 4.561 2.224 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.682 5.041 2.680 1.00 15.00 H new ATOM 0 HG23 VAL A 288 2.996 3.398 2.071 1.00 15.00 H new ATOM 133 N ARG A 289 -0.197 4.507 1.853 1.00 15.00 N ATOM 134 CA ARG A 289 -1.130 4.904 2.898 1.00 15.00 C ATOM 135 C ARG A 289 -0.966 3.994 4.113 1.00 15.00 C ATOM 136 O ARG A 289 -0.572 2.838 3.974 1.00 15.00 O ATOM 137 CB ARG A 289 -2.569 4.866 2.365 1.00 15.00 C ATOM 138 CG ARG A 289 -2.853 5.926 1.318 1.00 15.00 C ATOM 139 CD ARG A 289 -2.512 7.317 1.834 1.00 15.00 C ATOM 140 NE ARG A 289 -2.568 8.330 0.783 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.640 9.638 1.011 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.667 10.109 2.255 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -2.686 10.477 -0.017 1.00 15.00 N ATOM 0 H ARG A 289 -0.246 3.518 1.607 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.913 5.927 3.206 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.764 3.882 1.938 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.260 4.994 3.198 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.273 5.717 0.419 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.905 5.888 1.035 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.205 7.586 2.631 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.513 7.305 2.270 1.00 15.00 H new ATOM 0 HE ARG A 289 -2.551 8.014 -0.187 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.632 9.465 3.045 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.722 11.114 2.419 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -2.666 10.116 -0.971 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -2.741 11.482 0.147 1.00 15.00 H new ATOM 157 N SER A 290 -1.237 4.518 5.303 1.00 15.00 N ATOM 158 CA SER A 290 -1.060 3.748 6.533 1.00 15.00 C ATOM 159 C SER A 290 -2.318 3.779 7.399 1.00 15.00 C ATOM 160 O SER A 290 -2.957 4.822 7.546 1.00 15.00 O ATOM 161 CB SER A 290 0.121 4.312 7.320 1.00 15.00 C ATOM 162 OG SER A 290 1.271 4.407 6.500 1.00 15.00 O ATOM 0 H SER A 290 -1.579 5.469 5.444 1.00 15.00 H new ATOM 0 HA SER A 290 -0.866 2.711 6.260 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.134 5.297 7.712 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.332 3.672 8.177 1.00 15.00 H new ATOM 0 HG SER A 290 2.016 4.772 7.022 1.00 15.00 H new ATOM 168 N THR A 291 -2.653 2.635 7.985 1.00 15.00 N ATOM 169 CA THR A 291 -3.778 2.545 8.905 1.00 15.00 C ATOM 170 C THR A 291 -3.309 2.820 10.339 1.00 15.00 C ATOM 171 O THR A 291 -2.159 2.531 10.688 1.00 15.00 O ATOM 172 CB THR A 291 -4.464 1.160 8.834 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.483 0.117 8.933 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.254 1.000 7.537 1.00 15.00 C ATOM 0 H THR A 291 -2.159 1.755 7.838 1.00 15.00 H new ATOM 0 HA THR A 291 -4.509 3.298 8.609 1.00 15.00 H new ATOM 0 HB THR A 291 -5.159 1.087 9.671 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.927 -0.755 8.889 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.724 0.017 7.516 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.022 1.771 7.481 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.580 1.097 6.686 1.00 15.00 H new ATOM 182 N VAL A 292 -4.203 3.370 11.160 1.00 15.00 N ATOM 183 CA VAL A 292 -3.868 3.794 12.524 1.00 15.00 C ATOM 184 C VAL A 292 -3.408 2.625 13.395 1.00 15.00 C ATOM 185 O VAL A 292 -2.825 2.826 14.459 1.00 15.00 O ATOM 186 CB VAL A 292 -5.061 4.493 13.210 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.493 5.714 12.412 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.225 3.530 13.402 1.00 15.00 C ATOM 0 H VAL A 292 -5.176 3.535 10.902 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.044 4.501 12.425 1.00 15.00 H new ATOM 0 HB VAL A 292 -4.738 4.824 14.197 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.335 6.195 12.910 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.662 6.417 12.344 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.791 5.407 11.410 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.051 4.050 13.887 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.552 3.156 12.432 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.907 2.694 14.025 1.00 15.00 H new ATOM 198 N SER A 293 -3.665 1.407 12.934 1.00 15.00 N ATOM 199 CA SER A 293 -3.239 0.203 13.635 1.00 15.00 C ATOM 200 C SER A 293 -1.712 0.102 13.667 1.00 15.00 C ATOM 201 O SER A 293 -1.146 -0.692 14.416 1.00 15.00 O ATOM 202 CB SER A 293 -3.847 -1.046 12.984 1.00 15.00 C ATOM 203 OG SER A 293 -3.491 -2.224 13.692 1.00 15.00 O ATOM 0 H SER A 293 -4.172 1.227 12.068 1.00 15.00 H new ATOM 0 HA SER A 293 -3.598 0.265 14.662 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.932 -0.951 12.955 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.506 -1.123 11.952 1.00 15.00 H new ATOM 0 HG SER A 293 -2.670 -2.063 14.202 1.00 15.00 H new ATOM 209 N GLY A 294 -1.055 0.897 12.831 1.00 15.00 N ATOM 210 CA GLY A 294 0.383 0.817 12.700 1.00 15.00 C ATOM 211 C GLY A 294 0.779 -0.159 11.614 1.00 15.00 C ATOM 212 O GLY A 294 1.744 -0.911 11.753 1.00 15.00 O ATOM 0 H GLY A 294 -1.498 1.599 12.239 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.786 1.804 12.471 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.821 0.507 13.649 1.00 15.00 H new ATOM 216 N ARG A 295 0.014 -0.145 10.537 1.00 15.00 N ATOM 217 CA ARG A 295 0.280 -0.984 9.380 1.00 15.00 C ATOM 218 C ARG A 295 0.428 -0.147 8.124 1.00 15.00 C ATOM 219 O ARG A 295 -0.401 0.718 7.836 1.00 15.00 O ATOM 220 CB ARG A 295 -0.833 -2.020 9.187 1.00 15.00 C ATOM 221 CG ARG A 295 -0.586 -3.333 9.909 1.00 15.00 C ATOM 222 CD ARG A 295 0.432 -4.176 9.150 1.00 15.00 C ATOM 223 NE ARG A 295 0.863 -5.348 9.904 1.00 15.00 N ATOM 224 CZ ARG A 295 2.119 -5.796 9.932 1.00 15.00 C ATOM 225 NH1 ARG A 295 3.071 -5.153 9.259 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 2.419 -6.889 10.620 1.00 15.00 N ATOM 0 H ARG A 295 -0.810 0.448 10.439 1.00 15.00 H new ATOM 0 HA ARG A 295 1.218 -1.508 9.563 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.774 -1.596 9.537 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.949 -2.219 8.122 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.225 -3.137 10.919 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.522 -3.883 10.007 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -0.002 -4.497 8.203 1.00 15.00 H new ATOM 0 HD3 ARG A 295 1.301 -3.562 8.911 1.00 15.00 H new ATOM 0 HE ARG A 295 0.161 -5.856 10.443 1.00 15.00 H new ATOM 0 HH11 ARG A 295 2.840 -4.317 8.722 1.00 15.00 H new ATOM 0 HH12 ARG A 295 4.031 -5.496 9.281 1.00 15.00 H new ATOM 0 HH21 ARG A 295 1.689 -7.388 11.128 1.00 15.00 H new ATOM 0 HH22 ARG A 295 3.380 -7.231 10.641 1.00 15.00 H new ATOM 240 N ILE A 296 1.473 -0.435 7.370 1.00 15.00 N ATOM 241 CA ILE A 296 1.687 0.203 6.089 1.00 15.00 C ATOM 242 C ILE A 296 0.992 -0.643 5.029 1.00 15.00 C ATOM 243 O ILE A 296 0.978 -1.870 5.128 1.00 15.00 O ATOM 244 CB ILE A 296 3.202 0.327 5.773 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.435 1.190 4.534 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.841 -1.040 5.587 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.117 2.649 4.754 1.00 15.00 C ATOM 0 H ILE A 296 2.191 -1.112 7.628 1.00 15.00 H new ATOM 0 HA ILE A 296 1.277 1.213 6.104 1.00 15.00 H new ATOM 0 HB ILE A 296 3.674 0.812 6.628 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.476 1.095 4.224 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.823 0.811 3.716 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.902 -0.919 5.367 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.724 -1.624 6.500 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.356 -1.559 4.760 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.304 3.205 3.835 1.00 15.00 H new ATOM 0 HD12 ILE A 296 2.069 2.755 5.035 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.748 3.043 5.551 1.00 15.00 H new ATOM 259 N TYR A 297 0.386 -0.007 4.044 1.00 15.00 N ATOM 260 CA TYR A 297 -0.405 -0.743 3.080 1.00 15.00 C ATOM 261 C TYR A 297 -0.370 -0.031 1.756 1.00 15.00 C ATOM 262 O TYR A 297 -0.630 1.172 1.659 1.00 15.00 O ATOM 263 CB TYR A 297 -1.849 -0.983 3.564 1.00 15.00 C ATOM 264 CG TYR A 297 -2.777 0.216 3.540 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.540 0.510 2.413 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.911 1.034 4.652 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.404 1.588 2.396 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.777 2.111 4.642 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.519 2.384 3.516 1.00 15.00 C ATOM 270 OH TYR A 297 -5.376 3.463 3.513 1.00 15.00 O ATOM 0 H TYR A 297 0.425 1.001 3.892 1.00 15.00 H new ATOM 0 HA TYR A 297 0.035 -1.733 2.961 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.289 -1.768 2.949 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.808 -1.363 4.585 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.455 -0.116 1.537 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.330 0.826 5.539 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.985 1.806 1.512 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.871 2.737 5.517 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.336 3.915 4.381 1.00 15.00 H new ATOM 280 N PHE A 298 -0.017 -0.767 0.744 1.00 15.00 N ATOM 281 CA PHE A 298 0.148 -0.200 -0.554 1.00 15.00 C ATOM 282 C PHE A 298 -1.043 -0.300 -1.441 1.00 15.00 C ATOM 283 O PHE A 298 -1.821 -1.247 -1.392 1.00 15.00 O ATOM 284 CB PHE A 298 1.336 -0.810 -1.229 1.00 15.00 C ATOM 285 CG PHE A 298 2.535 -0.023 -0.925 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.610 1.264 -1.409 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.569 -0.532 -0.168 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.698 2.039 -1.156 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.673 0.240 0.083 1.00 15.00 C ATOM 290 CZ PHE A 298 4.729 1.526 -0.415 1.00 15.00 C ATOM 0 H PHE A 298 0.163 -1.770 0.798 1.00 15.00 H new ATOM 0 HA PHE A 298 0.297 0.867 -0.387 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.469 -1.838 -0.893 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.176 -0.845 -2.307 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.796 1.662 -1.996 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.509 -1.536 0.226 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.749 3.049 -1.536 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.492 -0.155 0.666 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.598 2.136 -0.218 1.00 15.00 H new ATOM 300 N VAL A 299 -1.123 0.699 -2.284 1.00 15.00 N ATOM 301 CA VAL A 299 -2.061 0.730 -3.367 1.00 15.00 C ATOM 302 C VAL A 299 -1.304 1.180 -4.621 1.00 15.00 C ATOM 303 O VAL A 299 -1.053 2.371 -4.864 1.00 15.00 O ATOM 304 CB VAL A 299 -3.310 1.608 -3.061 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.115 1.015 -1.912 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.936 3.036 -2.722 1.00 15.00 C ATOM 0 H VAL A 299 -0.526 1.525 -2.232 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.474 -0.266 -3.527 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.914 1.620 -3.968 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.983 1.643 -1.714 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.446 0.012 -2.180 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.492 0.965 -1.019 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.840 3.610 -2.516 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.293 3.045 -1.842 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.406 3.483 -3.563 1.00 15.00 H new ATOM 316 N ASP A 300 -0.828 0.183 -5.347 1.00 15.00 N ATOM 317 CA ASP A 300 -0.048 0.406 -6.551 1.00 15.00 C ATOM 318 C ASP A 300 -0.964 0.464 -7.756 1.00 15.00 C ATOM 319 O ASP A 300 -1.816 -0.406 -7.934 1.00 15.00 O ATOM 320 CB ASP A 300 1.002 -0.701 -6.717 1.00 15.00 C ATOM 321 CG ASP A 300 1.428 -0.896 -8.161 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.890 0.076 -8.791 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 1.277 -2.021 -8.680 1.00 15.00 O ATOM 0 H ASP A 300 -0.971 -0.801 -5.119 1.00 15.00 H new ATOM 0 HA ASP A 300 0.474 1.359 -6.466 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.877 -0.459 -6.114 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.599 -1.638 -6.332 1.00 15.00 H new ATOM 328 N HIS A 301 -0.767 1.480 -8.586 1.00 15.00 N ATOM 329 CA HIS A 301 -1.636 1.717 -9.732 1.00 15.00 C ATOM 330 C HIS A 301 -1.310 0.789 -10.899 1.00 15.00 C ATOM 331 O HIS A 301 -2.108 0.653 -11.824 1.00 15.00 O ATOM 332 CB HIS A 301 -1.532 3.169 -10.210 1.00 15.00 C ATOM 333 CG HIS A 301 -2.206 4.176 -9.326 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.574 4.302 -9.243 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.693 5.148 -8.534 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.873 5.318 -8.453 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.749 5.847 -8.006 1.00 15.00 N ATOM 0 H HIS A 301 -0.010 2.156 -8.486 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.652 1.512 -9.396 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.478 3.432 -10.298 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.962 3.239 -11.209 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.251 3.704 -9.717 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.646 5.338 -8.352 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.869 5.659 -8.213 1.00 15.00 H new ATOM 346 N ASN A 302 -0.136 0.169 -10.869 1.00 15.00 N ATOM 347 CA ASN A 302 0.292 -0.693 -11.970 1.00 15.00 C ATOM 348 C ASN A 302 -0.430 -2.031 -11.917 1.00 15.00 C ATOM 349 O ASN A 302 -1.069 -2.450 -12.882 1.00 15.00 O ATOM 350 CB ASN A 302 1.807 -0.921 -11.936 1.00 15.00 C ATOM 351 CG ASN A 302 2.603 0.354 -12.148 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.926 0.721 -13.280 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.934 1.034 -11.061 1.00 15.00 N ATOM 0 H ASN A 302 0.533 0.244 -10.103 1.00 15.00 H new ATOM 0 HA ASN A 302 0.037 -0.188 -12.902 1.00 15.00 H new ATOM 0 HB2 ASN A 302 2.082 -1.359 -10.976 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.078 -1.644 -12.706 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.475 1.895 -11.143 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.648 0.697 -10.142 1.00 15.00 H new ATOM 360 N ASN A 303 -0.318 -2.704 -10.785 1.00 15.00 N ATOM 361 CA ASN A 303 -0.966 -3.993 -10.597 1.00 15.00 C ATOM 362 C ASN A 303 -2.349 -3.816 -9.980 1.00 15.00 C ATOM 363 O ASN A 303 -3.153 -4.747 -9.969 1.00 15.00 O ATOM 364 CB ASN A 303 -0.113 -4.919 -9.723 1.00 15.00 C ATOM 365 CG ASN A 303 1.151 -5.404 -10.411 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.739 -4.709 -11.240 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.577 -6.610 -10.071 1.00 15.00 N ATOM 0 H ASN A 303 0.217 -2.379 -9.979 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.076 -4.455 -11.578 1.00 15.00 H new ATOM 0 HB2 ASN A 303 0.159 -4.393 -8.808 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.711 -5.781 -9.429 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.419 -6.993 -10.500 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.063 -7.156 -9.380 1.00 15.00 H new ATOM 374 N ARG A 304 -2.600 -2.619 -9.446 1.00 15.00 N ATOM 375 CA ARG A 304 -3.853 -2.307 -8.751 1.00 15.00 C ATOM 376 C ARG A 304 -4.008 -3.240 -7.557 1.00 15.00 C ATOM 377 O ARG A 304 -5.049 -3.868 -7.363 1.00 15.00 O ATOM 378 CB ARG A 304 -5.061 -2.419 -9.700 1.00 15.00 C ATOM 379 CG ARG A 304 -4.886 -1.641 -10.998 1.00 15.00 C ATOM 380 CD ARG A 304 -6.024 -1.896 -11.974 1.00 15.00 C ATOM 381 NE ARG A 304 -6.089 -3.297 -12.387 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.068 -3.811 -13.134 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.076 -3.047 -13.537 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.034 -5.094 -13.471 1.00 15.00 N ATOM 0 H ARG A 304 -1.943 -1.840 -9.482 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.817 -1.276 -8.399 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.232 -3.469 -9.935 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.952 -2.058 -9.186 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.830 -0.575 -10.777 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -3.940 -1.920 -11.463 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.969 -1.610 -11.512 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -5.896 -1.265 -12.853 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.340 -3.920 -12.086 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.105 -2.061 -13.276 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -8.821 -3.446 -14.108 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.262 -5.683 -13.159 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.780 -5.491 -14.042 1.00 15.00 H new ATOM 398 N THR A 305 -2.962 -3.295 -6.743 1.00 15.00 N ATOM 399 CA THR A 305 -2.854 -4.302 -5.694 1.00 15.00 C ATOM 400 C THR A 305 -2.565 -3.677 -4.329 1.00 15.00 C ATOM 401 O THR A 305 -1.941 -2.614 -4.237 1.00 15.00 O ATOM 402 CB THR A 305 -1.745 -5.322 -6.030 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.756 -6.404 -5.088 1.00 15.00 O ATOM 404 CG2 THR A 305 -0.384 -4.650 -6.017 1.00 15.00 C ATOM 0 H THR A 305 -2.172 -2.651 -6.789 1.00 15.00 H new ATOM 0 HA THR A 305 -3.817 -4.809 -5.643 1.00 15.00 H new ATOM 0 HB THR A 305 -1.938 -5.717 -7.028 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.890 -6.449 -4.632 1.00 15.00 H new ATOM 0 HG21 THR A 305 0.386 -5.383 -6.256 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.366 -3.850 -6.758 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.194 -4.233 -5.028 1.00 15.00 H new ATOM 412 N THR A 306 -3.037 -4.343 -3.278 1.00 15.00 N ATOM 413 CA THR A 306 -2.797 -3.908 -1.909 1.00 15.00 C ATOM 414 C THR A 306 -1.793 -4.836 -1.212 1.00 15.00 C ATOM 415 O THR A 306 -2.034 -6.039 -1.084 1.00 15.00 O ATOM 416 CB THR A 306 -4.110 -3.889 -1.098 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.128 -3.169 -1.810 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.891 -3.248 0.264 1.00 15.00 C ATOM 0 H THR A 306 -3.593 -5.195 -3.353 1.00 15.00 H new ATOM 0 HA THR A 306 -2.388 -2.899 -1.954 1.00 15.00 H new ATOM 0 HB THR A 306 -4.434 -4.920 -0.955 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.791 -2.826 -1.175 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.829 -3.245 0.820 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.143 -3.816 0.818 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.544 -2.223 0.132 1.00 15.00 H new ATOM 426 N GLN A 307 -0.670 -4.277 -0.767 1.00 15.00 N ATOM 427 CA GLN A 307 0.355 -5.060 -0.073 1.00 15.00 C ATOM 428 C GLN A 307 0.546 -4.552 1.352 1.00 15.00 C ATOM 429 O GLN A 307 0.650 -3.350 1.573 1.00 15.00 O ATOM 430 CB GLN A 307 1.699 -4.980 -0.807 1.00 15.00 C ATOM 431 CG GLN A 307 1.658 -5.425 -2.261 1.00 15.00 C ATOM 432 CD GLN A 307 1.062 -6.809 -2.457 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.446 -7.085 -3.486 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.255 -7.695 -1.492 1.00 15.00 N ATOM 0 H GLN A 307 -0.445 -3.288 -0.873 1.00 15.00 H new ATOM 0 HA GLN A 307 0.015 -6.095 -0.053 1.00 15.00 H new ATOM 0 HB2 GLN A 307 2.059 -3.952 -0.766 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.425 -5.593 -0.274 1.00 15.00 H new ATOM 0 HG2 GLN A 307 1.078 -4.704 -2.837 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.671 -5.414 -2.664 1.00 15.00 H new ATOM 0 HE21 GLN A 307 1.771 -7.431 -0.653 1.00 15.00 H new ATOM 0 HE22 GLN A 307 0.888 -8.642 -1.588 1.00 15.00 H new ATOM 443 N PHE A 308 0.616 -5.468 2.312 1.00 15.00 N ATOM 444 CA PHE A 308 0.847 -5.093 3.706 1.00 15.00 C ATOM 445 C PHE A 308 2.339 -5.082 4.038 1.00 15.00 C ATOM 446 O PHE A 308 2.742 -4.643 5.115 1.00 15.00 O ATOM 447 CB PHE A 308 0.110 -6.038 4.663 1.00 15.00 C ATOM 448 CG PHE A 308 -1.077 -5.414 5.347 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.133 -4.046 5.569 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.127 -6.197 5.786 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.214 -3.478 6.218 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.212 -5.635 6.429 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.256 -4.275 6.646 1.00 15.00 C ATOM 0 H PHE A 308 0.517 -6.471 2.154 1.00 15.00 H new ATOM 0 HA PHE A 308 0.454 -4.085 3.837 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.223 -6.914 4.107 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.810 -6.389 5.421 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.323 -3.417 5.231 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.099 -7.264 5.624 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.243 -2.412 6.390 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.026 -6.261 6.762 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.104 -3.834 7.150 1.00 15.00 H new ATOM 463 N THR A 309 3.154 -5.591 3.127 1.00 15.00 N ATOM 464 CA THR A 309 4.593 -5.625 3.337 1.00 15.00 C ATOM 465 C THR A 309 5.298 -4.552 2.506 1.00 15.00 C ATOM 466 O THR A 309 5.295 -4.603 1.273 1.00 15.00 O ATOM 467 CB THR A 309 5.173 -7.013 2.994 1.00 15.00 C ATOM 468 OG1 THR A 309 4.474 -8.025 3.733 1.00 15.00 O ATOM 469 CG2 THR A 309 6.657 -7.079 3.323 1.00 15.00 C ATOM 0 H THR A 309 2.845 -5.985 2.238 1.00 15.00 H new ATOM 0 HA THR A 309 4.770 -5.422 4.393 1.00 15.00 H new ATOM 0 HB THR A 309 5.047 -7.182 1.925 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.843 -8.905 3.512 1.00 15.00 H new ATOM 0 HG21 THR A 309 7.042 -8.067 3.072 1.00 15.00 H new ATOM 0 HG22 THR A 309 7.192 -6.324 2.746 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.802 -6.892 4.387 1.00 15.00 H new ATOM 477 N ASP A 310 5.886 -3.579 3.196 1.00 15.00 N ATOM 478 CA ASP A 310 6.627 -2.500 2.548 1.00 15.00 C ATOM 479 C ASP A 310 8.050 -2.965 2.222 1.00 15.00 C ATOM 480 O ASP A 310 8.800 -3.372 3.114 1.00 15.00 O ATOM 481 CB ASP A 310 6.663 -1.263 3.459 1.00 15.00 C ATOM 482 CG ASP A 310 7.343 -0.065 2.823 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.582 -0.068 2.717 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.644 0.897 2.450 1.00 15.00 O1- ATOM 0 H ASP A 310 5.863 -3.516 4.214 1.00 15.00 H new ATOM 0 HA ASP A 310 6.125 -2.232 1.618 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.643 -0.991 3.730 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.181 -1.517 4.384 1.00 15.00 H new ATOM 489 N PRO A 311 8.433 -2.924 0.935 1.00 15.00 N ATOM 490 CA PRO A 311 9.746 -3.397 0.473 1.00 15.00 C ATOM 491 C PRO A 311 10.878 -2.422 0.799 1.00 15.00 C ATOM 492 O PRO A 311 12.057 -2.767 0.719 1.00 15.00 O ATOM 493 CB PRO A 311 9.556 -3.515 -1.036 1.00 15.00 C ATOM 494 CG PRO A 311 8.546 -2.469 -1.360 1.00 15.00 C ATOM 495 CD PRO A 311 7.609 -2.419 -0.182 1.00 15.00 C ATOM 0 HA PRO A 311 10.039 -4.327 0.960 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.491 -3.345 -1.570 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.205 -4.508 -1.317 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.023 -1.502 -1.521 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.009 -2.715 -2.276 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.255 -1.406 0.007 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.728 -3.040 -0.343 1.00 15.00 H new ATOM 628 N PRO B 207 -7.485 -8.568 6.845 1.00 15.00 N ATOM 629 CA PRO B 207 -7.620 -8.391 5.396 1.00 15.00 C ATOM 630 C PRO B 207 -7.251 -6.981 4.940 1.00 15.00 C ATOM 631 O PRO B 207 -7.848 -5.993 5.380 1.00 15.00 O ATOM 632 CB PRO B 207 -9.108 -8.668 5.124 1.00 15.00 C ATOM 633 CG PRO B 207 -9.758 -8.781 6.466 1.00 15.00 C ATOM 634 CD PRO B 207 -8.679 -9.185 7.425 1.00 15.00 C ATOM 0 HA PRO B 207 -6.946 -9.052 4.851 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.555 -7.863 4.541 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.236 -9.586 4.550 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.206 -7.832 6.762 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.559 -9.520 6.449 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.875 -8.819 8.433 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.582 -10.269 7.493 1.00 15.00 H new ATOM 642 N PRO B 208 -6.232 -6.885 4.065 1.00 15.00 N ATOM 643 CA PRO B 208 -5.747 -5.612 3.523 1.00 15.00 C ATOM 644 C PRO B 208 -6.866 -4.755 2.927 1.00 15.00 C ATOM 645 O PRO B 208 -7.826 -5.274 2.349 1.00 15.00 O ATOM 646 CB PRO B 208 -4.765 -6.044 2.429 1.00 15.00 C ATOM 647 CG PRO B 208 -4.291 -7.389 2.851 1.00 15.00 C ATOM 648 CD PRO B 208 -5.444 -8.029 3.571 1.00 15.00 C ATOM 0 HA PRO B 208 -5.302 -4.988 4.298 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.252 -6.084 1.454 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.936 -5.342 2.342 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.991 -7.985 1.989 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.421 -7.309 3.502 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.031 -8.660 2.904 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.102 -8.662 4.390 1.00 15.00 H new ATOM 656 N PRO B 209 -6.729 -3.427 3.034 1.00 15.00 N ATOM 657 CA PRO B 209 -7.741 -2.472 2.576 1.00 15.00 C ATOM 658 C PRO B 209 -7.874 -2.481 1.056 1.00 15.00 C ATOM 659 O PRO B 209 -6.878 -2.369 0.340 1.00 15.00 O ATOM 660 CB PRO B 209 -7.213 -1.111 3.068 1.00 15.00 C ATOM 661 CG PRO B 209 -6.119 -1.433 4.029 1.00 15.00 C ATOM 662 CD PRO B 209 -5.557 -2.745 3.583 1.00 15.00 C ATOM 0 HA PRO B 209 -8.734 -2.709 2.958 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.842 -0.510 2.238 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.002 -0.535 3.550 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.353 -0.658 4.023 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.500 -1.497 5.048 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.775 -2.617 2.834 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.117 -3.300 4.412 1.00 15.00 H new ATOM 670 N PRO B 210 -9.110 -2.626 0.552 1.00 15.00 N ATOM 671 CA PRO B 210 -9.387 -2.664 -0.890 1.00 15.00 C ATOM 672 C PRO B 210 -8.778 -1.476 -1.625 1.00 15.00 C ATOM 673 O PRO B 210 -8.886 -0.337 -1.166 1.00 15.00 O ATOM 674 CB PRO B 210 -10.914 -2.606 -0.956 1.00 15.00 C ATOM 675 CG PRO B 210 -11.366 -3.183 0.339 1.00 15.00 C ATOM 676 CD PRO B 210 -10.339 -2.762 1.352 1.00 15.00 C ATOM 0 HA PRO B 210 -8.958 -3.545 -1.367 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.267 -1.582 -1.079 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.297 -3.179 -1.801 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.356 -2.814 0.608 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.436 -4.269 0.281 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.611 -1.823 1.834 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.225 -3.505 2.142 1.00 15.00 H new ATOM 684 N TYR B 211 -8.139 -1.752 -2.760 1.00 15.00 N ATOM 685 CA TYR B 211 -7.522 -0.707 -3.567 1.00 15.00 C ATOM 686 C TYR B 211 -8.563 0.312 -4.023 1.00 15.00 C ATOM 687 O TYR B 211 -9.364 0.051 -4.923 1.00 15.00 O ATOM 688 CB TYR B 211 -6.781 -1.308 -4.780 1.00 15.00 C ATOM 689 CG TYR B 211 -6.358 -0.282 -5.824 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.850 0.958 -5.448 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.491 -0.543 -7.187 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.498 1.902 -6.392 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.127 0.405 -8.129 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.642 1.612 -7.727 1.00 15.00 C ATOM 695 OH TYR B 211 -5.310 2.537 -8.676 1.00 15.00 O ATOM 0 H TYR B 211 -8.036 -2.693 -3.140 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.789 -0.193 -2.945 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.895 -1.836 -4.426 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.425 -2.049 -5.255 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.729 1.186 -4.399 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.882 -1.496 -7.512 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.112 2.862 -6.083 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.228 0.187 -9.182 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.535 3.054 -8.372 1.00 15.00 H new ATOM 705 N SER B 212 -8.571 1.443 -3.343 1.00 15.00 N ATOM 706 CA SER B 212 -9.360 2.588 -3.746 1.00 15.00 C ATOM 707 C SER B 212 -8.493 3.437 -4.666 1.00 15.00 C ATOM 708 O SER B 212 -7.279 3.488 -4.480 1.00 15.00 O ATOM 709 CB SER B 212 -9.787 3.379 -2.502 1.00 15.00 C ATOM 710 OG SER B 212 -10.747 4.375 -2.815 1.00 15.00 O ATOM 0 H SER B 212 -8.028 1.592 -2.493 1.00 15.00 H new ATOM 0 HA SER B 212 -10.265 2.283 -4.271 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.201 2.695 -1.761 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.912 3.847 -2.051 1.00 15.00 H new ATOM 0 HG SER B 212 -10.996 4.857 -1.999 1.00 15.00 H new ATOM 716 N ARG B 213 -9.104 4.128 -5.622 1.00 15.00 N ATOM 717 CA ARG B 213 -8.344 4.816 -6.661 1.00 15.00 C ATOM 718 C ARG B 213 -7.406 5.847 -6.049 1.00 15.00 C ATOM 719 O ARG B 213 -6.184 5.726 -6.153 1.00 15.00 O ATOM 720 CB ARG B 213 -9.286 5.512 -7.645 1.00 15.00 C ATOM 721 CG ARG B 213 -10.238 4.575 -8.366 1.00 15.00 C ATOM 722 CD ARG B 213 -9.515 3.659 -9.341 1.00 15.00 C ATOM 723 NE ARG B 213 -10.459 2.798 -10.053 1.00 15.00 N ATOM 724 CZ ARG B 213 -10.117 1.832 -10.904 1.00 15.00 C ATOM 725 NH1 ARG B 213 -8.843 1.614 -11.208 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -11.060 1.087 -11.464 1.00 15.00 N ATOM 0 H ARG B 213 -10.116 4.227 -5.700 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.756 4.069 -7.193 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.869 6.259 -7.106 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.690 6.046 -8.385 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.775 3.972 -7.634 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.983 5.161 -8.905 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.952 4.257 -10.057 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.794 3.045 -8.802 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.454 2.949 -9.885 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.113 2.189 -10.788 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.594 0.871 -11.861 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.041 1.255 -11.242 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.804 0.346 -12.116 1.00 15.00 H new ATOM 740 N TYR B 214 -7.976 6.867 -5.429 1.00 15.00 N ATOM 741 CA TYR B 214 -7.186 7.880 -4.754 1.00 15.00 C ATOM 742 C TYR B 214 -7.547 7.928 -3.276 1.00 15.00 C ATOM 743 O TYR B 214 -8.567 8.506 -2.890 1.00 15.00 O ATOM 744 CB TYR B 214 -7.362 9.247 -5.424 1.00 15.00 C ATOM 745 CG TYR B 214 -6.688 9.328 -6.782 1.00 15.00 C ATOM 746 CD1 TYR B 214 -7.032 8.449 -7.802 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.696 10.266 -7.035 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.413 8.498 -9.031 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.072 10.326 -8.267 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.434 9.439 -9.261 1.00 15.00 C ATOM 751 OH TYR B 214 -4.814 9.494 -10.487 1.00 15.00 O ATOM 0 H TYR B 214 -8.984 7.014 -5.380 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.132 7.615 -4.835 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.426 9.456 -5.538 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.953 10.020 -4.774 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.801 7.712 -7.627 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.408 10.959 -6.258 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.693 7.803 -9.809 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.305 11.063 -8.451 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.149 10.214 -10.485 1.00 15.00 H new ATOM 761 N PRO B 215 -6.733 7.278 -2.438 1.00 15.00 N ATOM 762 CA PRO B 215 -6.981 7.171 -1.012 1.00 15.00 C ATOM 763 C PRO B 215 -6.394 8.340 -0.236 1.00 15.00 C ATOM 764 O PRO B 215 -5.189 8.576 -0.269 1.00 15.00 O ATOM 765 CB PRO B 215 -6.283 5.857 -0.633 1.00 15.00 C ATOM 766 CG PRO B 215 -5.273 5.590 -1.712 1.00 15.00 C ATOM 767 CD PRO B 215 -5.491 6.597 -2.817 1.00 15.00 C ATOM 0 HA PRO B 215 -8.045 7.185 -0.775 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.799 5.940 0.340 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -7.002 5.041 -0.563 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.261 5.673 -1.315 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.383 4.575 -2.094 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.658 7.297 -2.889 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.583 6.110 -3.788 1.00 15.00 H new