USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 287 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 392 THR OG1 : rot -139:sc= 1.27 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.1: A 388 ASN : amide:sc=-0.00721 X(o=-0.0072,f=0.42) USER MOD Set 2.2: A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.124) USER MOD Single : A 378 LYS NZ :NH3+ -140:sc= -1.47 (180deg=-3.9!) USER MOD Single : A 381 THR OG1 : rot 30:sc= 0.856 USER MOD Single : A 382 TYR OH : rot 81:sc= 1.21! USER MOD Single : A 383 TYR OH : rot 180:sc= 0.764 USER MOD Single : A 385 ASN : amide:sc= -7.86! C(o=-7.9!,f=-6.5!) USER MOD Single : A 386 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-11!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 91:sc= 0.482 USER MOD Single : B 184 TYR OH : rot -165:sc= -3.63! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.201 -2.796 2.979 1.00 15.00 N ATOM 28 CA PRO A 368 8.461 -2.669 4.394 1.00 15.00 C ATOM 29 C PRO A 368 7.506 -3.534 5.202 1.00 15.00 C ATOM 30 O PRO A 368 6.302 -3.584 4.940 1.00 15.00 O ATOM 31 CB PRO A 368 8.170 -1.201 4.659 1.00 15.00 C ATOM 32 CG PRO A 368 7.054 -0.901 3.734 1.00 15.00 C ATOM 33 CD PRO A 368 7.322 -1.724 2.505 1.00 15.00 C ATOM 0 HA PRO A 368 9.468 -2.981 4.670 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.889 -1.028 5.698 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.040 -0.576 4.456 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.094 -1.161 4.179 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.017 0.162 3.495 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.399 -2.122 2.083 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.800 -1.132 1.725 1.00 15.00 H new ATOM 41 N SER A 369 8.053 -4.195 6.183 1.00 15.00 N ATOM 42 CA SER A 369 7.292 -5.101 7.020 1.00 15.00 C ATOM 43 C SER A 369 6.321 -4.318 7.910 1.00 15.00 C ATOM 44 O SER A 369 6.750 -3.554 8.779 1.00 15.00 O ATOM 45 CB SER A 369 8.249 -5.923 7.879 1.00 15.00 C ATOM 46 OG SER A 369 9.226 -6.559 7.073 1.00 15.00 O ATOM 0 H SER A 369 9.040 -4.126 6.431 1.00 15.00 H new ATOM 0 HA SER A 369 6.711 -5.771 6.386 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.737 -5.277 8.609 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.690 -6.672 8.440 1.00 15.00 H new ATOM 0 HG SER A 369 9.831 -7.080 7.642 1.00 15.00 H new ATOM 52 N GLY A 370 5.023 -4.471 7.677 1.00 15.00 N ATOM 53 CA GLY A 370 4.051 -3.768 8.481 1.00 15.00 C ATOM 54 C GLY A 370 2.885 -3.295 7.650 1.00 15.00 C ATOM 55 O GLY A 370 1.848 -2.907 8.178 1.00 15.00 O ATOM 0 H GLY A 370 4.631 -5.067 6.948 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.692 -4.423 9.275 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.526 -2.914 8.963 1.00 15.00 H new ATOM 59 N TRP A 371 3.089 -3.230 6.344 1.00 15.00 N ATOM 60 CA TRP A 371 2.018 -2.995 5.423 1.00 15.00 C ATOM 61 C TRP A 371 1.782 -4.234 4.577 1.00 15.00 C ATOM 62 O TRP A 371 2.727 -4.967 4.286 1.00 15.00 O ATOM 63 CB TRP A 371 2.392 -1.849 4.505 1.00 15.00 C ATOM 64 CG TRP A 371 2.988 -0.642 5.178 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.669 -0.565 6.354 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.939 0.670 4.673 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.054 0.725 6.591 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.608 1.512 5.566 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.379 1.187 3.540 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.731 2.882 5.343 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.480 2.549 3.300 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.154 3.386 4.204 1.00 15.00 C ATOM 0 H TRP A 371 4.003 -3.340 5.906 1.00 15.00 H new ATOM 0 HA TRP A 371 1.114 -2.754 5.983 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.102 -2.217 3.765 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.500 -1.536 3.962 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.875 -1.402 7.005 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.586 1.047 7.399 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.865 0.544 2.841 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.258 3.520 6.037 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.036 2.970 2.410 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.220 4.444 4.000 1.00 15.00 H new ATOM 83 N GLU A 372 0.545 -4.461 4.152 1.00 15.00 N ATOM 84 CA GLU A 372 0.295 -5.540 3.214 1.00 15.00 C ATOM 85 C GLU A 372 0.344 -4.967 1.805 1.00 15.00 C ATOM 86 O GLU A 372 -0.169 -3.875 1.567 1.00 15.00 O ATOM 87 CB GLU A 372 -1.054 -6.252 3.449 1.00 15.00 C ATOM 88 CG GLU A 372 -1.393 -6.513 4.906 1.00 15.00 C ATOM 89 CD GLU A 372 -0.334 -7.317 5.637 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.267 -8.546 5.437 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.415 -6.725 6.441 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.277 -3.928 4.434 1.00 15.00 H new ATOM 0 HA GLU A 372 1.065 -6.297 3.360 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.848 -5.649 3.009 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.044 -7.203 2.917 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.531 -5.559 5.416 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.344 -7.044 4.961 1.00 15.00 H new ATOM 98 N GLU A 373 0.965 -5.678 0.877 1.00 15.00 N ATOM 99 CA GLU A 373 1.074 -5.179 -0.484 1.00 15.00 C ATOM 100 C GLU A 373 -0.017 -5.733 -1.372 1.00 15.00 C ATOM 101 O GLU A 373 -0.470 -6.866 -1.195 1.00 15.00 O ATOM 102 CB GLU A 373 2.411 -5.524 -1.114 1.00 15.00 C ATOM 103 CG GLU A 373 2.783 -6.996 -1.001 1.00 15.00 C ATOM 104 CD GLU A 373 3.878 -7.412 -1.965 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.571 -7.645 -3.152 1.00 15.00 O ATOM 106 OE2 GLU A 373 5.045 -7.536 -1.535 1.00 15.00 O1- ATOM 0 H GLU A 373 1.395 -6.589 1.037 1.00 15.00 H new ATOM 0 HA GLU A 373 0.977 -4.096 -0.407 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.388 -5.245 -2.167 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.190 -4.925 -0.642 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.107 -7.205 0.019 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.897 -7.603 -1.184 1.00 15.00 H new ATOM 113 N ARG A 374 -0.387 -4.942 -2.359 1.00 15.00 N ATOM 114 CA ARG A 374 -1.344 -5.367 -3.372 1.00 15.00 C ATOM 115 C ARG A 374 -1.065 -4.671 -4.701 1.00 15.00 C ATOM 116 O ARG A 374 -1.114 -3.440 -4.800 1.00 15.00 O ATOM 117 CB ARG A 374 -2.796 -5.130 -2.928 1.00 15.00 C ATOM 118 CG ARG A 374 -3.292 -6.161 -1.923 1.00 15.00 C ATOM 119 CD ARG A 374 -4.784 -6.419 -2.051 1.00 15.00 C ATOM 120 NE ARG A 374 -5.595 -5.326 -1.536 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.858 -5.112 -1.894 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.485 -5.974 -2.687 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.509 -4.059 -1.423 1.00 15.00 N ATOM 0 H ARG A 374 -0.038 -3.992 -2.485 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.219 -6.441 -3.507 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.877 -4.136 -2.489 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.444 -5.145 -3.804 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.750 -7.096 -2.067 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.070 -5.817 -0.913 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.030 -6.584 -3.100 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.036 -7.335 -1.516 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.171 -4.688 -0.863 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.998 -6.804 -3.024 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.454 -5.806 -2.959 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.042 -3.413 -0.787 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.478 -3.894 -1.697 1.00 15.00 H new ATOM 137 N LYS A 375 -0.748 -5.464 -5.715 1.00 15.00 N ATOM 138 CA LYS A 375 -0.476 -4.952 -7.049 1.00 15.00 C ATOM 139 C LYS A 375 -1.700 -5.206 -7.932 1.00 15.00 C ATOM 140 O LYS A 375 -1.968 -6.346 -8.307 1.00 15.00 O ATOM 141 CB LYS A 375 0.780 -5.649 -7.604 1.00 15.00 C ATOM 142 CG LYS A 375 1.405 -5.012 -8.842 1.00 15.00 C ATOM 143 CD LYS A 375 0.644 -5.344 -10.117 1.00 15.00 C ATOM 144 CE LYS A 375 1.510 -5.128 -11.351 1.00 15.00 C ATOM 145 NZ LYS A 375 2.088 -3.758 -11.400 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.672 -6.478 -5.636 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.287 -3.879 -7.027 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.533 -5.680 -6.816 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.524 -6.682 -7.841 1.00 15.00 H new ATOM 0 HG2 LYS A 375 1.436 -3.930 -8.713 1.00 15.00 H new ATOM 0 HG3 LYS A 375 2.436 -5.351 -8.940 1.00 15.00 H new ATOM 0 HD2 LYS A 375 0.308 -6.380 -10.083 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -0.248 -4.722 -10.183 1.00 15.00 H new ATOM 0 HE2 LYS A 375 2.317 -5.861 -11.359 1.00 15.00 H new ATOM 0 HE3 LYS A 375 0.913 -5.301 -12.246 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 2.556 -3.611 -12.317 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 1.329 -3.057 -11.282 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 2.784 -3.647 -10.635 1.00 15.00 H new ATOM 159 N ASP A 376 -2.464 -4.160 -8.227 1.00 15.00 N ATOM 160 CA ASP A 376 -3.722 -4.332 -8.944 1.00 15.00 C ATOM 161 C ASP A 376 -3.551 -4.008 -10.429 1.00 15.00 C ATOM 162 O ASP A 376 -2.855 -3.046 -10.790 1.00 15.00 O ATOM 163 CB ASP A 376 -4.812 -3.445 -8.334 1.00 15.00 C ATOM 164 CG ASP A 376 -6.202 -3.846 -8.794 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.569 -3.523 -9.938 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -6.927 -4.489 -8.011 1.00 15.00 O ATOM 0 H ASP A 376 -2.238 -3.195 -7.984 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.024 -5.375 -8.851 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.760 -3.504 -7.247 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.627 -2.406 -8.606 1.00 15.00 H new ATOM 171 N ALA A 377 -4.230 -4.782 -11.284 1.00 15.00 N ATOM 172 CA ALA A 377 -4.106 -4.650 -12.735 1.00 15.00 C ATOM 173 C ALA A 377 -4.739 -3.355 -13.237 1.00 15.00 C ATOM 174 O ALA A 377 -4.738 -3.072 -14.436 1.00 15.00 O ATOM 175 CB ALA A 377 -4.734 -5.850 -13.425 1.00 15.00 C ATOM 0 H ALA A 377 -4.877 -5.513 -10.988 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.044 -4.614 -12.979 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.636 -5.741 -14.505 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.227 -6.760 -13.105 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.790 -5.910 -13.161 1.00 15.00 H new ATOM 181 N LYS A 378 -5.285 -2.577 -12.309 1.00 15.00 N ATOM 182 CA LYS A 378 -5.776 -1.234 -12.600 1.00 15.00 C ATOM 183 C LYS A 378 -4.635 -0.319 -13.053 1.00 15.00 C ATOM 184 O LYS A 378 -4.867 0.810 -13.480 1.00 15.00 O ATOM 185 CB LYS A 378 -6.438 -0.639 -11.351 1.00 15.00 C ATOM 186 CG LYS A 378 -5.522 -0.622 -10.132 1.00 15.00 C ATOM 187 CD LYS A 378 -6.106 0.152 -8.948 1.00 15.00 C ATOM 188 CE LYS A 378 -7.295 -0.545 -8.286 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.499 -0.569 -9.157 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.400 -2.858 -11.335 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.506 -1.307 -13.406 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -6.760 0.379 -11.569 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.334 -1.213 -11.115 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.321 -1.648 -9.823 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -4.566 -0.179 -10.411 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -5.325 0.304 -8.204 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.418 1.139 -9.289 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.016 -1.567 -8.029 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -7.536 -0.037 -7.352 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.347 -0.390 -8.582 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.414 0.167 -9.887 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.580 -1.501 -9.612 1.00 15.00 H new ATOM 203 N GLY A 379 -3.407 -0.811 -12.948 1.00 15.00 N ATOM 204 CA GLY A 379 -2.250 0.005 -13.248 1.00 15.00 C ATOM 205 C GLY A 379 -1.836 0.810 -12.039 1.00 15.00 C ATOM 206 O GLY A 379 -1.158 1.830 -12.154 1.00 15.00 O ATOM 0 H GLY A 379 -3.193 -1.765 -12.659 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.424 -0.630 -13.568 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.477 0.675 -14.077 1.00 15.00 H new ATOM 210 N ARG A 380 -2.246 0.333 -10.873 1.00 15.00 N ATOM 211 CA ARG A 380 -2.011 1.034 -9.622 1.00 15.00 C ATOM 212 C ARG A 380 -1.759 0.028 -8.502 1.00 15.00 C ATOM 213 O ARG A 380 -2.611 -0.814 -8.212 1.00 15.00 O ATOM 214 CB ARG A 380 -3.220 1.914 -9.266 1.00 15.00 C ATOM 215 CG ARG A 380 -3.303 3.239 -10.021 1.00 15.00 C ATOM 216 CD ARG A 380 -4.671 3.905 -9.840 1.00 15.00 C ATOM 217 NE ARG A 380 -5.696 3.325 -10.716 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.761 3.527 -12.032 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.826 4.225 -12.662 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.763 3.024 -12.725 1.00 15.00 N ATOM 0 H ARG A 380 -2.749 -0.548 -10.769 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.134 1.671 -9.739 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.131 1.347 -9.458 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.194 2.124 -8.197 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.521 3.910 -9.667 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.119 3.067 -11.081 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -4.986 3.805 -8.801 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.583 4.972 -10.045 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.405 2.728 -10.290 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.042 4.616 -12.139 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.890 4.371 -13.670 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.487 2.481 -12.254 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.814 3.178 -13.732 1.00 15.00 H new ATOM 234 N THR A 381 -0.588 0.098 -7.891 1.00 15.00 N ATOM 235 CA THR A 381 -0.274 -0.750 -6.751 1.00 15.00 C ATOM 236 C THR A 381 -0.191 0.106 -5.494 1.00 15.00 C ATOM 237 O THR A 381 0.283 1.241 -5.541 1.00 15.00 O ATOM 238 CB THR A 381 1.044 -1.533 -6.963 1.00 15.00 C ATOM 239 OG1 THR A 381 1.284 -2.417 -5.858 1.00 15.00 O ATOM 240 CG2 THR A 381 2.229 -0.593 -7.130 1.00 15.00 C ATOM 0 H THR A 381 0.162 0.733 -8.165 1.00 15.00 H new ATOM 0 HA THR A 381 -1.070 -1.487 -6.641 1.00 15.00 H new ATOM 0 HB THR A 381 0.936 -2.116 -7.878 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.428 -2.701 -5.475 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.138 -1.176 -7.277 1.00 15.00 H new ATOM 0 HG22 THR A 381 2.065 0.048 -7.996 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.333 0.023 -6.237 1.00 15.00 H new ATOM 248 N TYR A 382 -0.671 -0.421 -4.376 1.00 15.00 N ATOM 249 CA TYR A 382 -0.765 0.373 -3.163 1.00 15.00 C ATOM 250 C TYR A 382 -0.300 -0.413 -1.947 1.00 15.00 C ATOM 251 O TYR A 382 -0.408 -1.645 -1.901 1.00 15.00 O ATOM 252 CB TYR A 382 -2.195 0.885 -2.968 1.00 15.00 C ATOM 253 CG TYR A 382 -3.124 -0.034 -2.210 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.558 -1.246 -2.740 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.587 0.332 -0.959 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.426 -2.059 -2.036 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.450 -0.473 -0.250 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.868 -1.667 -0.791 1.00 15.00 C ATOM 259 OH TYR A 382 -5.744 -2.464 -0.091 1.00 15.00 O ATOM 0 H TYR A 382 -0.997 -1.383 -4.285 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.102 1.231 -3.271 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.151 1.839 -2.444 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.628 1.080 -3.949 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.211 -1.555 -3.715 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.265 1.269 -0.529 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.756 -2.996 -2.459 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.797 -0.169 0.726 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.249 -3.184 0.352 1.00 15.00 H new ATOM 269 N TYR A 383 0.232 0.313 -0.978 1.00 15.00 N ATOM 270 CA TYR A 383 0.705 -0.277 0.261 1.00 15.00 C ATOM 271 C TYR A 383 -0.190 0.180 1.420 1.00 15.00 C ATOM 272 O TYR A 383 -0.464 1.375 1.559 1.00 15.00 O ATOM 273 CB TYR A 383 2.151 0.149 0.515 1.00 15.00 C ATOM 274 CG TYR A 383 3.045 0.071 -0.705 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.532 -1.146 -1.169 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.402 1.226 -1.393 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.349 -1.204 -2.284 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.216 1.172 -2.505 1.00 15.00 C ATOM 279 CZ TYR A 383 4.686 -0.042 -2.946 1.00 15.00 C ATOM 280 OH TYR A 383 5.504 -0.094 -4.052 1.00 15.00 O ATOM 0 H TYR A 383 0.348 1.325 -1.029 1.00 15.00 H new ATOM 0 HA TYR A 383 0.665 -1.364 0.186 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.156 1.172 0.890 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.571 -0.480 1.300 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.269 -2.057 -0.653 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.035 2.182 -1.050 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.721 -2.155 -2.635 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.483 2.079 -3.027 1.00 15.00 H new ATOM 0 HH TYR A 383 5.642 0.812 -4.400 1.00 15.00 H new ATOM 290 N VAL A 384 -0.636 -0.758 2.251 1.00 15.00 N ATOM 291 CA VAL A 384 -1.569 -0.446 3.334 1.00 15.00 C ATOM 292 C VAL A 384 -0.876 -0.496 4.674 1.00 15.00 C ATOM 293 O VAL A 384 -0.498 -1.565 5.126 1.00 15.00 O ATOM 294 CB VAL A 384 -2.711 -1.459 3.400 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.035 -0.774 3.658 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.741 -2.292 2.146 1.00 15.00 C ATOM 0 H VAL A 384 -0.368 -1.741 2.197 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.953 0.553 3.125 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.535 -2.130 4.241 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.829 -1.520 3.700 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.989 -0.239 4.607 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.242 -0.068 2.854 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.559 -3.010 2.206 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.889 -1.644 1.282 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.797 -2.826 2.041 1.00 15.00 H new ATOM 306 N ASN A 385 -0.748 0.631 5.336 1.00 15.00 N ATOM 307 CA ASN A 385 -0.039 0.650 6.597 1.00 15.00 C ATOM 308 C ASN A 385 -0.985 0.426 7.777 1.00 15.00 C ATOM 309 O ASN A 385 -1.945 1.167 7.925 1.00 15.00 O ATOM 310 CB ASN A 385 0.655 1.986 6.806 1.00 15.00 C ATOM 311 CG ASN A 385 1.464 1.961 8.077 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.631 2.972 8.744 1.00 15.00 O ATOM 313 ND2 ASN A 385 1.965 0.781 8.418 1.00 15.00 N ATOM 0 H ASN A 385 -1.117 1.531 5.031 1.00 15.00 H new ATOM 0 HA ASN A 385 0.693 -0.157 6.555 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.304 2.203 5.958 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.085 2.785 6.854 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.517 0.689 9.270 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.798 -0.034 7.828 1.00 15.00 H new ATOM 320 N HIS A 386 -0.702 -0.556 8.641 1.00 15.00 N ATOM 321 CA HIS A 386 -1.568 -0.825 9.797 1.00 15.00 C ATOM 322 C HIS A 386 -1.135 0.038 10.958 1.00 15.00 C ATOM 323 O HIS A 386 -1.846 0.200 11.945 1.00 15.00 O ATOM 324 CB HIS A 386 -1.525 -2.306 10.220 1.00 15.00 C ATOM 325 CG HIS A 386 -1.256 -3.209 9.073 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.567 -2.831 7.800 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.532 -4.339 8.963 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.029 -3.654 6.960 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.406 -4.595 7.629 1.00 15.00 N ATOM 0 H HIS A 386 0.108 -1.171 8.565 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.592 -0.591 9.506 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.753 -2.444 10.977 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.475 -2.579 10.680 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.129 -4.928 9.774 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.084 -3.579 5.884 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.090 -5.387 7.220 1.00 15.00 H new ATOM 338 N ASN A 387 0.051 0.578 10.807 1.00 15.00 N ATOM 339 CA ASN A 387 0.734 1.285 11.856 1.00 15.00 C ATOM 340 C ASN A 387 0.220 2.718 11.970 1.00 15.00 C ATOM 341 O ASN A 387 0.219 3.308 13.047 1.00 15.00 O ATOM 342 CB ASN A 387 2.223 1.239 11.528 1.00 15.00 C ATOM 343 CG ASN A 387 3.092 1.854 12.617 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.483 1.181 13.568 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.420 3.130 12.471 1.00 15.00 N ATOM 0 H ASN A 387 0.576 0.536 9.933 1.00 15.00 H new ATOM 0 HA ASN A 387 0.551 0.821 12.825 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.523 0.203 11.373 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.399 1.765 10.590 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.016 3.586 13.162 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.076 3.656 11.668 1.00 15.00 H new ATOM 352 N ASN A 388 -0.194 3.273 10.840 1.00 15.00 N ATOM 353 CA ASN A 388 -0.804 4.599 10.805 1.00 15.00 C ATOM 354 C ASN A 388 -2.228 4.501 10.260 1.00 15.00 C ATOM 355 O ASN A 388 -3.025 5.430 10.394 1.00 15.00 O ATOM 356 CB ASN A 388 0.043 5.553 9.951 1.00 15.00 C ATOM 357 CG ASN A 388 -0.428 6.998 10.013 1.00 15.00 C ATOM 358 OD1 ASN A 388 -1.225 7.443 9.189 1.00 15.00 O ATOM 359 ND2 ASN A 388 0.076 7.743 10.985 1.00 15.00 N ATOM 0 H ASN A 388 -0.119 2.823 9.928 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.847 4.999 11.818 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.080 5.502 10.283 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.023 5.216 8.915 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.195 8.723 11.069 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.735 7.337 11.649 1.00 15.00 H new ATOM 366 N ARG A 389 -2.528 3.352 9.648 1.00 15.00 N ATOM 367 CA ARG A 389 -3.840 3.080 9.059 1.00 15.00 C ATOM 368 C ARG A 389 -4.055 3.900 7.797 1.00 15.00 C ATOM 369 O ARG A 389 -4.814 4.867 7.780 1.00 15.00 O ATOM 370 CB ARG A 389 -4.977 3.274 10.065 1.00 15.00 C ATOM 371 CG ARG A 389 -4.900 2.286 11.212 1.00 15.00 C ATOM 372 CD ARG A 389 -6.145 2.303 12.076 1.00 15.00 C ATOM 373 NE ARG A 389 -7.371 2.066 11.315 1.00 15.00 N ATOM 374 CZ ARG A 389 -8.535 2.656 11.582 1.00 15.00 C ATOM 375 NH1 ARG A 389 -8.602 3.603 12.511 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -9.626 2.314 10.910 1.00 15.00 N ATOM 0 H ARG A 389 -1.865 2.583 9.547 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.855 2.028 8.775 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.942 4.290 10.459 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.934 3.163 9.555 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -4.752 1.282 10.814 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.031 2.516 11.828 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -6.053 1.543 12.852 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.217 3.266 12.581 1.00 15.00 H new ATOM 0 HE ARG A 389 -7.333 1.411 10.534 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -7.762 3.878 13.020 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -9.493 4.055 12.715 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -9.575 1.597 10.186 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -10.516 2.768 11.117 1.00 15.00 H new ATOM 390 N THR A 390 -3.324 3.537 6.756 1.00 15.00 N ATOM 391 CA THR A 390 -3.312 4.312 5.533 1.00 15.00 C ATOM 392 C THR A 390 -3.311 3.412 4.281 1.00 15.00 C ATOM 393 O THR A 390 -2.766 2.309 4.315 1.00 15.00 O ATOM 394 CB THR A 390 -2.055 5.223 5.525 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.201 6.287 6.474 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.741 5.797 4.145 1.00 15.00 C ATOM 0 H THR A 390 -2.731 2.708 6.737 1.00 15.00 H new ATOM 0 HA THR A 390 -4.220 4.914 5.502 1.00 15.00 H new ATOM 0 HB THR A 390 -1.214 4.590 5.807 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.400 6.851 6.458 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.852 6.425 4.206 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.562 4.982 3.444 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.584 6.395 3.799 1.00 15.00 H new ATOM 404 N THR A 391 -3.934 3.889 3.192 1.00 15.00 N ATOM 405 CA THR A 391 -3.897 3.230 1.900 1.00 15.00 C ATOM 406 C THR A 391 -3.369 4.235 0.863 1.00 15.00 C ATOM 407 O THR A 391 -3.990 5.276 0.639 1.00 15.00 O ATOM 408 CB THR A 391 -5.306 2.728 1.504 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.365 2.449 0.106 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.379 3.745 1.872 1.00 15.00 C ATOM 0 H THR A 391 -4.479 4.751 3.195 1.00 15.00 H new ATOM 0 HA THR A 391 -3.240 2.361 1.944 1.00 15.00 H new ATOM 0 HB THR A 391 -5.496 1.810 2.060 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.125 1.512 -0.051 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.358 3.363 1.581 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.362 3.918 2.948 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.186 4.683 1.351 1.00 15.00 H new ATOM 418 N THR A 392 -2.212 3.970 0.257 1.00 15.00 N ATOM 419 CA THR A 392 -1.539 5.010 -0.506 1.00 15.00 C ATOM 420 C THR A 392 -0.711 4.458 -1.668 1.00 15.00 C ATOM 421 O THR A 392 -0.223 3.326 -1.615 1.00 15.00 O ATOM 422 CB THR A 392 -0.641 5.841 0.432 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.157 7.012 -0.241 1.00 15.00 O ATOM 424 CG2 THR A 392 0.536 5.018 0.946 1.00 15.00 C ATOM 0 H THR A 392 -1.735 3.069 0.279 1.00 15.00 H new ATOM 0 HA THR A 392 -2.314 5.639 -0.944 1.00 15.00 H new ATOM 0 HB THR A 392 -1.248 6.143 1.286 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.784 7.157 -0.010 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.150 5.633 1.605 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.163 4.155 1.498 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.137 4.677 0.103 1.00 15.00 H new ATOM 432 N TRP A 393 -0.585 5.264 -2.731 1.00 15.00 N ATOM 433 CA TRP A 393 0.283 4.932 -3.859 1.00 15.00 C ATOM 434 C TRP A 393 1.746 5.184 -3.498 1.00 15.00 C ATOM 435 O TRP A 393 2.657 4.667 -4.148 1.00 15.00 O ATOM 436 CB TRP A 393 -0.024 5.789 -5.099 1.00 15.00 C ATOM 437 CG TRP A 393 -1.422 5.708 -5.644 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.144 6.747 -6.161 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.256 4.549 -5.760 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.371 6.306 -6.586 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.463 4.963 -6.350 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.105 3.206 -5.423 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.503 4.080 -6.610 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.142 2.331 -5.681 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.326 2.770 -6.271 1.00 15.00 C ATOM 0 H TRP A 393 -1.077 6.152 -2.829 1.00 15.00 H new ATOM 0 HA TRP A 393 0.101 3.881 -4.083 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.186 6.830 -4.854 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.668 5.502 -5.891 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.798 7.768 -6.226 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.096 6.885 -7.009 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.191 2.854 -4.967 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.422 4.419 -7.066 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.034 1.288 -5.421 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.117 2.061 -6.463 1.00 15.00 H new ATOM 456 N THR A 394 1.960 6.019 -2.487 1.00 15.00 N ATOM 457 CA THR A 394 3.296 6.509 -2.174 1.00 15.00 C ATOM 458 C THR A 394 4.165 5.441 -1.518 1.00 15.00 C ATOM 459 O THR A 394 3.669 4.547 -0.829 1.00 15.00 O ATOM 460 CB THR A 394 3.243 7.763 -1.273 1.00 15.00 C ATOM 461 OG1 THR A 394 2.483 7.501 -0.085 1.00 15.00 O ATOM 462 CG2 THR A 394 2.638 8.943 -2.016 1.00 15.00 C ATOM 0 H THR A 394 1.226 6.370 -1.871 1.00 15.00 H new ATOM 0 HA THR A 394 3.751 6.778 -3.127 1.00 15.00 H new ATOM 0 HB THR A 394 4.267 8.013 -0.994 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.461 8.306 0.474 1.00 15.00 H new ATOM 0 HG21 THR A 394 2.613 9.812 -1.359 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.243 9.169 -2.894 1.00 15.00 H new ATOM 0 HG23 THR A 394 1.624 8.695 -2.329 1.00 15.00 H new ATOM 470 N ARG A 395 5.467 5.541 -1.751 1.00 15.00 N ATOM 471 CA ARG A 395 6.426 4.599 -1.203 1.00 15.00 C ATOM 472 C ARG A 395 6.561 4.783 0.304 1.00 15.00 C ATOM 473 O ARG A 395 6.733 5.900 0.797 1.00 15.00 O ATOM 474 CB ARG A 395 7.781 4.775 -1.890 1.00 15.00 C ATOM 475 CG ARG A 395 7.788 4.286 -3.329 1.00 15.00 C ATOM 476 CD ARG A 395 7.703 2.770 -3.398 1.00 15.00 C ATOM 477 NE ARG A 395 8.947 2.134 -2.962 1.00 15.00 N ATOM 478 CZ ARG A 395 9.108 0.818 -2.823 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.105 -0.017 -3.069 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 10.287 0.333 -2.451 1.00 15.00 N ATOM 0 H ARG A 395 5.884 6.275 -2.323 1.00 15.00 H new ATOM 0 HA ARG A 395 6.067 3.587 -1.388 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.058 5.829 -1.869 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.541 4.235 -1.325 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.948 4.724 -3.868 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.697 4.624 -3.826 1.00 15.00 H new ATOM 0 HD2 ARG A 395 6.880 2.424 -2.773 1.00 15.00 H new ATOM 0 HD3 ARG A 395 7.478 2.465 -4.420 1.00 15.00 H new ATOM 0 HE ARG A 395 9.742 2.737 -2.751 1.00 15.00 H new ATOM 0 HH11 ARG A 395 7.200 0.347 -3.368 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.240 -1.022 -2.959 1.00 15.00 H new ATOM 0 HH21 ARG A 395 11.066 0.967 -2.273 1.00 15.00 H new ATOM 0 HH22 ARG A 395 10.414 -0.673 -2.344 1.00 15.00 H new ATOM 494 N PRO A 396 6.494 3.676 1.048 1.00 15.00 N ATOM 495 CA PRO A 396 6.532 3.691 2.510 1.00 15.00 C ATOM 496 C PRO A 396 7.901 4.076 3.060 1.00 15.00 C ATOM 497 O PRO A 396 8.927 3.545 2.635 1.00 15.00 O ATOM 498 CB PRO A 396 6.208 2.241 2.893 1.00 15.00 C ATOM 499 CG PRO A 396 5.666 1.614 1.653 1.00 15.00 C ATOM 500 CD PRO A 396 6.346 2.316 0.523 1.00 15.00 C ATOM 0 HA PRO A 396 5.840 4.427 2.918 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.099 1.718 3.240 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.480 2.202 3.703 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.872 0.544 1.632 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.584 1.731 1.594 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.309 1.865 0.284 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.749 2.294 -0.388 1.00 15.00 H new ATOM 616 N PRO B 180 -8.349 5.910 -7.650 1.00 15.00 N ATOM 617 CA PRO B 180 -7.714 5.618 -6.375 1.00 15.00 C ATOM 618 C PRO B 180 -7.733 4.269 -5.719 1.00 15.00 C ATOM 619 O PRO B 180 -8.443 3.325 -6.075 1.00 15.00 O ATOM 620 CB PRO B 180 -8.438 6.599 -5.476 1.00 15.00 C ATOM 621 CG PRO B 180 -8.115 7.728 -6.280 1.00 15.00 C ATOM 622 CD PRO B 180 -8.781 7.323 -7.588 1.00 15.00 C ATOM 0 HA PRO B 180 -6.640 5.677 -6.553 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.508 6.411 -5.387 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -8.038 6.649 -4.463 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.520 8.656 -5.876 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -7.039 7.869 -6.387 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.865 7.429 -7.557 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.427 7.907 -8.437 1.00 15.00 H new ATOM 630 N PRO B 181 -6.900 4.277 -4.660 1.00 15.00 N ATOM 631 CA PRO B 181 -6.600 3.142 -3.794 1.00 15.00 C ATOM 632 C PRO B 181 -7.833 2.467 -3.215 1.00 15.00 C ATOM 633 O PRO B 181 -8.817 3.122 -2.861 1.00 15.00 O ATOM 634 CB PRO B 181 -5.790 3.781 -2.652 1.00 15.00 C ATOM 635 CG PRO B 181 -5.987 5.259 -2.788 1.00 15.00 C ATOM 636 CD PRO B 181 -6.191 5.507 -4.211 1.00 15.00 C ATOM 0 HA PRO B 181 -6.086 2.357 -4.349 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.138 3.428 -1.681 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.735 3.519 -2.727 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.846 5.593 -2.206 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.119 5.804 -2.417 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.786 6.403 -4.384 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.247 5.645 -4.737 1.00 15.00 H new ATOM 644 N PRO B 182 -7.770 1.139 -3.094 1.00 15.00 N ATOM 645 CA PRO B 182 -8.738 0.361 -2.324 1.00 15.00 C ATOM 646 C PRO B 182 -8.563 0.642 -0.834 1.00 15.00 C ATOM 647 O PRO B 182 -7.460 0.968 -0.400 1.00 15.00 O ATOM 648 CB PRO B 182 -8.380 -1.100 -2.644 1.00 15.00 C ATOM 649 CG PRO B 182 -7.457 -1.040 -3.815 1.00 15.00 C ATOM 650 CD PRO B 182 -6.762 0.282 -3.731 1.00 15.00 C ATOM 0 HA PRO B 182 -9.772 0.600 -2.571 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.901 -1.582 -1.792 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.273 -1.680 -2.878 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.739 -1.860 -3.787 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.009 -1.131 -4.751 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.849 0.222 -3.138 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.479 0.654 -4.716 1.00 15.00 H new ATOM 658 N GLY B 183 -9.653 0.542 -0.074 1.00 15.00 N ATOM 659 CA GLY B 183 -9.640 0.890 1.348 1.00 15.00 C ATOM 660 C GLY B 183 -8.508 0.246 2.148 1.00 15.00 C ATOM 661 O GLY B 183 -7.809 -0.640 1.664 1.00 15.00 O ATOM 0 H GLY B 183 -10.558 0.222 -0.419 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.565 1.973 1.443 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.592 0.597 1.790 1.00 15.00 H new ATOM 665 N TYR B 184 -8.373 0.652 3.405 1.00 15.00 N ATOM 666 CA TYR B 184 -7.247 0.227 4.225 1.00 15.00 C ATOM 667 C TYR B 184 -7.533 -1.082 4.991 1.00 15.00 C ATOM 668 O TYR B 184 -8.579 -1.223 5.633 1.00 15.00 O ATOM 669 CB TYR B 184 -6.822 1.358 5.193 1.00 15.00 C ATOM 670 CG TYR B 184 -6.244 0.847 6.493 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.935 0.408 6.584 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.041 0.772 7.631 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.434 -0.091 7.768 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.543 0.281 8.818 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.241 -0.151 8.881 1.00 15.00 C ATOM 676 OH TYR B 184 -4.745 -0.652 10.063 1.00 15.00 O ATOM 0 H TYR B 184 -9.029 1.274 3.877 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.419 0.016 3.549 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.085 1.991 4.700 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.687 1.985 5.410 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.296 0.457 5.715 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.067 1.104 7.583 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.411 -0.434 7.822 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.173 0.236 9.694 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.487 -0.852 10.671 1.00 15.00 H new ATOM 686 N LEU B 185 -6.565 -2.017 4.930 1.00 15.00 N ATOM 687 CA LEU B 185 -6.660 -3.338 5.530 1.00 15.00 C ATOM 688 C LEU B 185 -7.884 -4.105 5.115 1.00 15.00 C ATOM 689 O LEU B 185 -8.827 -4.317 5.879 1.00 15.00 O ATOM 690 CB LEU B 185 -6.461 -3.348 7.037 1.00 15.00 C ATOM 691 CG LEU B 185 -5.018 -3.542 7.457 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.904 -3.591 8.970 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.448 -4.813 6.841 1.00 15.00 C ATOM 0 H LEU B 185 -5.680 -1.859 4.448 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.809 -3.877 5.114 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.828 -2.408 7.450 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.067 -4.144 7.470 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.439 -2.692 7.095 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.860 -3.731 9.252 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.272 -2.656 9.393 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.498 -4.421 9.353 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.411 -4.936 7.154 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.031 -5.672 7.173 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.493 -4.743 5.754 1.00 15.00 H new ATOM 705 N SER B 186 -7.861 -4.435 3.858 1.00 15.00 N ATOM 706 CA SER B 186 -8.648 -5.491 3.306 1.00 15.00 C ATOM 707 C SER B 186 -7.840 -6.020 2.138 1.00 15.00 C ATOM 708 O SER B 186 -7.849 -5.438 1.057 1.00 15.00 O ATOM 709 CB SER B 186 -10.004 -4.941 2.872 1.00 15.00 C ATOM 710 OG SER B 186 -10.744 -5.882 2.114 1.00 15.00 O ATOM 0 H SER B 186 -7.276 -3.961 3.170 1.00 15.00 H new ATOM 0 HA SER B 186 -8.856 -6.290 4.017 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.578 -4.655 3.754 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.856 -4.037 2.281 1.00 15.00 H new ATOM 0 HG SER B 186 -11.605 -5.491 1.858 1.00 15.00 H new ATOM 716 N GLU B 187 -7.133 -7.116 2.358 1.00 15.00 N ATOM 717 CA GLU B 187 -6.075 -7.509 1.439 1.00 15.00 C ATOM 718 C GLU B 187 -6.233 -8.968 1.044 1.00 15.00 C ATOM 719 O GLU B 187 -6.035 -9.867 1.862 1.00 15.00 O ATOM 720 CB GLU B 187 -4.677 -7.261 2.062 1.00 15.00 C ATOM 721 CG GLU B 187 -4.533 -5.940 2.808 1.00 15.00 C ATOM 722 CD GLU B 187 -4.887 -4.728 1.972 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.461 -4.654 0.800 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -5.595 -3.842 2.491 1.00 15.00 O ATOM 0 H GLU B 187 -7.268 -7.742 3.152 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.157 -6.894 0.542 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.452 -8.076 2.749 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.930 -7.297 1.269 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.171 -5.960 3.691 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.506 -5.841 3.159 1.00 15.00 H new