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 388 ASN : amide:sc= 1.23 K(o=2.3,f=1.1) USER MOD Set 1.2: A 390 THR OG1 : rot -141:sc= 1.03 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 164:sc= -0.0487 (180deg=-0.346) USER MOD Single : A 378 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 THR OG1 : rot 31:sc= 1 USER MOD Single : A 382 TYR OH : rot 85:sc= 1.98 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -5! C(o=-6.9!,f=-5!) USER MOD Single : A 386 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-11!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 95:sc= -0.356 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 184 TYR OH : rot -140:sc= -2.47! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.131 -2.660 3.214 1.00 15.00 N ATOM 28 CA PRO A 368 8.421 -2.480 4.616 1.00 15.00 C ATOM 29 C PRO A 368 7.554 -3.372 5.487 1.00 15.00 C ATOM 30 O PRO A 368 6.381 -3.623 5.195 1.00 15.00 O ATOM 31 CB PRO A 368 8.054 -1.024 4.842 1.00 15.00 C ATOM 32 CG PRO A 368 6.868 -0.842 3.972 1.00 15.00 C ATOM 33 CD PRO A 368 7.136 -1.687 2.754 1.00 15.00 C ATOM 0 HA PRO A 368 9.451 -2.731 4.869 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.822 -0.824 5.888 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.867 -0.354 4.562 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.956 -1.159 4.478 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.735 0.206 3.702 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.229 -2.179 2.401 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.516 -1.087 1.927 1.00 15.00 H new ATOM 41 N SER A 369 8.138 -3.809 6.564 1.00 15.00 N ATOM 42 CA SER A 369 7.477 -4.699 7.502 1.00 15.00 C ATOM 43 C SER A 369 6.363 -3.961 8.251 1.00 15.00 C ATOM 44 O SER A 369 6.638 -3.020 9.000 1.00 15.00 O ATOM 45 CB SER A 369 8.501 -5.240 8.494 1.00 15.00 C ATOM 46 OG SER A 369 9.600 -5.832 7.817 1.00 15.00 O ATOM 0 H SER A 369 9.092 -3.562 6.827 1.00 15.00 H new ATOM 0 HA SER A 369 7.030 -5.526 6.950 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.856 -4.432 9.134 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.029 -5.977 9.144 1.00 15.00 H new ATOM 0 HG SER A 369 10.245 -6.170 8.473 1.00 15.00 H new ATOM 52 N GLY A 370 5.113 -4.359 8.033 1.00 15.00 N ATOM 53 CA GLY A 370 4.017 -3.743 8.746 1.00 15.00 C ATOM 54 C GLY A 370 2.884 -3.339 7.829 1.00 15.00 C ATOM 55 O GLY A 370 1.842 -2.874 8.291 1.00 15.00 O ATOM 0 H GLY A 370 4.844 -5.093 7.378 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.642 -4.437 9.498 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.382 -2.864 9.277 1.00 15.00 H new ATOM 59 N TRP A 371 3.113 -3.416 6.524 1.00 15.00 N ATOM 60 CA TRP A 371 2.079 -3.195 5.560 1.00 15.00 C ATOM 61 C TRP A 371 1.814 -4.462 4.754 1.00 15.00 C ATOM 62 O TRP A 371 2.701 -5.302 4.608 1.00 15.00 O ATOM 63 CB TRP A 371 2.542 -2.117 4.607 1.00 15.00 C ATOM 64 CG TRP A 371 3.082 -0.869 5.251 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.742 -0.717 6.431 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.988 0.412 4.694 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.076 0.599 6.617 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.611 1.320 5.552 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.422 0.845 3.539 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.677 2.682 5.267 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.467 2.195 3.231 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.093 3.105 4.098 1.00 15.00 C ATOM 0 H TRP A 371 4.024 -3.634 6.120 1.00 15.00 H new ATOM 0 HA TRP A 371 1.165 -2.904 6.079 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.315 -2.535 3.962 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.706 -1.841 3.965 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.969 -1.517 7.120 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.586 0.977 7.415 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.943 0.147 2.869 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.166 3.375 5.936 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.017 2.551 2.316 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.116 4.154 3.842 1.00 15.00 H new ATOM 83 N GLU A 372 0.610 -4.590 4.205 1.00 15.00 N ATOM 84 CA GLU A 372 0.350 -5.642 3.232 1.00 15.00 C ATOM 85 C GLU A 372 0.423 -5.028 1.841 1.00 15.00 C ATOM 86 O GLU A 372 0.158 -3.833 1.682 1.00 15.00 O ATOM 87 CB GLU A 372 -1.006 -6.361 3.446 1.00 15.00 C ATOM 88 CG GLU A 372 -1.288 -6.757 4.885 1.00 15.00 C ATOM 89 CD GLU A 372 -0.129 -7.481 5.541 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.212 -8.599 5.104 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.448 -6.927 6.497 1.00 15.00 O ATOM 0 H GLU A 372 -0.188 -3.989 4.413 1.00 15.00 H new ATOM 0 HA GLU A 372 1.108 -6.415 3.358 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.807 -5.709 3.098 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.030 -7.256 2.825 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.523 -5.863 5.462 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.171 -7.396 4.913 1.00 15.00 H new ATOM 98 N GLU A 373 0.816 -5.807 0.847 1.00 15.00 N ATOM 99 CA GLU A 373 0.952 -5.272 -0.498 1.00 15.00 C ATOM 100 C GLU A 373 -0.081 -5.844 -1.454 1.00 15.00 C ATOM 101 O GLU A 373 -0.435 -7.026 -1.386 1.00 15.00 O ATOM 102 CB GLU A 373 2.336 -5.541 -1.067 1.00 15.00 C ATOM 103 CG GLU A 373 2.833 -6.959 -0.834 1.00 15.00 C ATOM 104 CD GLU A 373 3.695 -7.475 -1.968 1.00 15.00 C ATOM 105 OE1 GLU A 373 4.569 -6.727 -2.456 1.00 15.00 O ATOM 106 OE2 GLU A 373 3.504 -8.641 -2.377 1.00 15.00 O1- ATOM 0 H GLU A 373 1.043 -6.797 0.942 1.00 15.00 H new ATOM 0 HA GLU A 373 0.792 -4.198 -0.407 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.322 -5.343 -2.139 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.043 -4.841 -0.622 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.405 -6.991 0.094 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.977 -7.622 -0.704 1.00 15.00 H new ATOM 113 N ARG A 374 -0.492 -5.015 -2.396 1.00 15.00 N ATOM 114 CA ARG A 374 -1.435 -5.416 -3.426 1.00 15.00 C ATOM 115 C ARG A 374 -1.200 -4.645 -4.707 1.00 15.00 C ATOM 116 O ARG A 374 -0.979 -3.431 -4.697 1.00 15.00 O ATOM 117 CB ARG A 374 -2.887 -5.229 -2.988 1.00 15.00 C ATOM 118 CG ARG A 374 -3.477 -6.446 -2.301 1.00 15.00 C ATOM 119 CD ARG A 374 -4.970 -6.555 -2.569 1.00 15.00 C ATOM 120 NE ARG A 374 -5.732 -5.451 -2.001 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.857 -4.974 -2.538 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.321 -5.477 -3.679 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.512 -3.987 -1.944 1.00 15.00 N ATOM 0 H ARG A 374 -0.183 -4.046 -2.469 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.264 -6.478 -3.601 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.947 -4.376 -2.312 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.492 -4.986 -3.861 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.974 -7.346 -2.654 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.301 -6.383 -1.227 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.139 -6.590 -3.645 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.340 -7.494 -2.158 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.386 -5.018 -1.145 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.817 -6.230 -4.147 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.181 -5.110 -4.086 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.157 -3.590 -1.074 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.371 -3.624 -2.357 1.00 15.00 H new ATOM 137 N LYS A 375 -1.261 -5.361 -5.809 1.00 15.00 N ATOM 138 CA LYS A 375 -1.174 -4.758 -7.117 1.00 15.00 C ATOM 139 C LYS A 375 -2.440 -5.110 -7.898 1.00 15.00 C ATOM 140 O LYS A 375 -2.653 -6.276 -8.234 1.00 15.00 O ATOM 141 CB LYS A 375 0.088 -5.258 -7.839 1.00 15.00 C ATOM 142 CG LYS A 375 0.453 -4.488 -9.106 1.00 15.00 C ATOM 143 CD LYS A 375 -0.448 -4.830 -10.283 1.00 15.00 C ATOM 144 CE LYS A 375 0.016 -4.144 -11.559 1.00 15.00 C ATOM 145 NZ LYS A 375 1.372 -4.595 -11.974 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.372 -6.375 -5.821 1.00 15.00 H new ATOM 0 HA LYS A 375 -1.099 -3.674 -7.035 1.00 15.00 H new ATOM 0 HB2 LYS A 375 0.928 -5.208 -7.147 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.051 -6.308 -8.097 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.392 -3.418 -8.906 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.488 -4.704 -9.372 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -0.459 -5.910 -10.433 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -1.471 -4.529 -10.059 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -0.695 -4.349 -12.360 1.00 15.00 H new ATOM 0 HE3 LYS A 375 0.024 -3.065 -11.408 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 1.540 -4.324 -12.964 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 2.088 -4.148 -11.366 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 1.437 -5.629 -11.882 1.00 15.00 H new ATOM 159 N ASP A 376 -3.281 -4.117 -8.172 1.00 15.00 N ATOM 160 CA ASP A 376 -4.518 -4.361 -8.897 1.00 15.00 C ATOM 161 C ASP A 376 -4.266 -4.221 -10.390 1.00 15.00 C ATOM 162 O ASP A 376 -3.565 -3.299 -10.823 1.00 15.00 O ATOM 163 CB ASP A 376 -5.615 -3.376 -8.466 1.00 15.00 C ATOM 164 CG ASP A 376 -6.453 -3.883 -7.308 1.00 15.00 C ATOM 165 OD1 ASP A 376 -7.230 -4.843 -7.504 1.00 15.00 O ATOM 166 OD2 ASP A 376 -6.370 -3.297 -6.212 1.00 15.00 O1- ATOM 0 H ASP A 376 -3.128 -3.145 -7.905 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.857 -5.372 -8.670 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.154 -2.429 -8.185 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -6.267 -3.173 -9.316 1.00 15.00 H new ATOM 171 N ALA A 377 -4.873 -5.105 -11.181 1.00 15.00 N ATOM 172 CA ALA A 377 -4.620 -5.162 -12.615 1.00 15.00 C ATOM 173 C ALA A 377 -5.172 -3.936 -13.330 1.00 15.00 C ATOM 174 O ALA A 377 -5.023 -3.789 -14.541 1.00 15.00 O ATOM 175 CB ALA A 377 -5.210 -6.435 -13.199 1.00 15.00 C ATOM 0 H ALA A 377 -5.547 -5.794 -10.848 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.541 -5.170 -12.767 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.015 -6.468 -14.271 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.752 -7.301 -12.721 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.286 -6.451 -13.025 1.00 15.00 H new ATOM 181 N LYS A 378 -5.802 -3.050 -12.569 1.00 15.00 N ATOM 182 CA LYS A 378 -6.292 -1.790 -13.103 1.00 15.00 C ATOM 183 C LYS A 378 -5.140 -0.803 -13.307 1.00 15.00 C ATOM 184 O LYS A 378 -5.343 0.319 -13.767 1.00 15.00 O ATOM 185 CB LYS A 378 -7.361 -1.199 -12.178 1.00 15.00 C ATOM 186 CG LYS A 378 -6.899 -0.961 -10.744 1.00 15.00 C ATOM 187 CD LYS A 378 -8.021 -0.364 -9.914 1.00 15.00 C ATOM 188 CE LYS A 378 -7.574 0.006 -8.508 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.549 0.929 -7.865 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.985 -3.184 -11.575 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.747 -1.980 -14.075 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.703 -0.253 -12.597 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.220 -1.870 -12.162 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.572 -1.902 -10.301 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.040 -0.291 -10.739 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.406 0.524 -10.415 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.843 -1.077 -9.854 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.470 -0.897 -7.906 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.592 0.478 -8.547 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.222 1.167 -6.907 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.628 1.799 -8.430 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.479 0.467 -7.809 1.00 15.00 H new ATOM 203 N GLY A 379 -3.929 -1.238 -12.973 1.00 15.00 N ATOM 204 CA GLY A 379 -2.755 -0.419 -13.200 1.00 15.00 C ATOM 205 C GLY A 379 -2.429 0.473 -12.024 1.00 15.00 C ATOM 206 O GLY A 379 -1.817 1.526 -12.184 1.00 15.00 O ATOM 0 H GLY A 379 -3.741 -2.146 -12.548 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.902 -1.064 -13.409 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.913 0.197 -14.085 1.00 15.00 H new ATOM 210 N ARG A 380 -2.829 0.043 -10.840 1.00 15.00 N ATOM 211 CA ARG A 380 -2.573 0.799 -9.624 1.00 15.00 C ATOM 212 C ARG A 380 -2.219 -0.147 -8.474 1.00 15.00 C ATOM 213 O ARG A 380 -3.056 -0.925 -8.019 1.00 15.00 O ATOM 214 CB ARG A 380 -3.792 1.670 -9.268 1.00 15.00 C ATOM 215 CG ARG A 380 -3.754 3.066 -9.894 1.00 15.00 C ATOM 216 CD ARG A 380 -5.090 3.808 -9.760 1.00 15.00 C ATOM 217 NE ARG A 380 -6.138 3.246 -10.628 1.00 15.00 N ATOM 218 CZ ARG A 380 -6.048 3.120 -11.962 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.967 3.516 -12.617 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -7.059 2.606 -12.651 1.00 15.00 N ATOM 0 H ARG A 380 -3.335 -0.830 -10.693 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.723 1.460 -9.793 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.699 1.160 -9.593 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.853 1.769 -8.184 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.968 3.652 -9.419 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.494 2.980 -10.949 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.422 3.767 -8.723 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.944 4.860 -10.007 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.998 2.928 -10.182 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.184 3.925 -12.108 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.918 3.412 -13.630 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.906 2.306 -12.167 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.990 2.511 -13.664 1.00 15.00 H new ATOM 234 N THR A 381 -0.960 -0.104 -8.040 1.00 15.00 N ATOM 235 CA THR A 381 -0.501 -0.911 -6.915 1.00 15.00 C ATOM 236 C THR A 381 -0.339 -0.026 -5.687 1.00 15.00 C ATOM 237 O THR A 381 0.039 1.141 -5.807 1.00 15.00 O ATOM 238 CB THR A 381 0.834 -1.626 -7.235 1.00 15.00 C ATOM 239 OG1 THR A 381 1.246 -2.439 -6.125 1.00 15.00 O ATOM 240 CG2 THR A 381 1.933 -0.625 -7.579 1.00 15.00 C ATOM 0 H THR A 381 -0.238 0.485 -8.454 1.00 15.00 H new ATOM 0 HA THR A 381 -1.249 -1.680 -6.719 1.00 15.00 H new ATOM 0 HB THR A 381 0.667 -2.262 -8.104 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.455 -2.767 -5.648 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.857 -1.160 -7.798 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.635 -0.043 -8.451 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.093 0.044 -6.734 1.00 15.00 H new ATOM 248 N TYR A 382 -0.624 -0.568 -4.512 1.00 15.00 N ATOM 249 CA TYR A 382 -0.685 0.251 -3.317 1.00 15.00 C ATOM 250 C TYR A 382 -0.275 -0.533 -2.076 1.00 15.00 C ATOM 251 O TYR A 382 -0.444 -1.752 -2.011 1.00 15.00 O ATOM 252 CB TYR A 382 -2.092 0.821 -3.163 1.00 15.00 C ATOM 253 CG TYR A 382 -3.073 -0.071 -2.458 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.472 -1.293 -2.987 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.609 0.330 -1.260 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.382 -2.087 -2.320 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.513 -0.447 -0.588 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.902 -1.656 -1.115 1.00 15.00 C ATOM 259 OH TYR A 382 -5.800 -2.439 -0.434 1.00 15.00 O ATOM 0 H TYR A 382 -0.814 -1.559 -4.364 1.00 15.00 H new ATOM 0 HA TYR A 382 0.025 1.071 -3.423 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.027 1.763 -2.619 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.483 1.052 -4.154 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.065 -1.625 -3.931 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.311 1.279 -0.839 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.685 -3.037 -2.736 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.920 -0.111 0.354 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.316 -3.087 0.119 1.00 15.00 H new ATOM 269 N TYR A 383 0.285 0.177 -1.108 1.00 15.00 N ATOM 270 CA TYR A 383 0.724 -0.426 0.139 1.00 15.00 C ATOM 271 C TYR A 383 -0.153 0.058 1.304 1.00 15.00 C ATOM 272 O TYR A 383 -0.467 1.247 1.397 1.00 15.00 O ATOM 273 CB TYR A 383 2.186 -0.061 0.391 1.00 15.00 C ATOM 274 CG TYR A 383 3.105 -0.348 -0.777 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.449 -1.652 -1.125 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.629 0.692 -1.535 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.289 -1.902 -2.193 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.469 0.445 -2.604 1.00 15.00 C ATOM 279 CZ TYR A 383 4.796 -0.853 -2.927 1.00 15.00 C ATOM 280 OH TYR A 383 5.632 -1.106 -3.991 1.00 15.00 O ATOM 0 H TYR A 383 0.447 1.182 -1.165 1.00 15.00 H new ATOM 0 HA TYR A 383 0.630 -1.510 0.066 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.248 0.999 0.636 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.541 -0.611 1.263 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.054 -2.478 -0.553 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.375 1.711 -1.284 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.548 -2.918 -2.452 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.867 1.265 -3.183 1.00 15.00 H new ATOM 0 HH TYR A 383 5.901 -0.259 -4.404 1.00 15.00 H new ATOM 290 N VAL A 384 -0.524 -0.858 2.200 1.00 15.00 N ATOM 291 CA VAL A 384 -1.436 -0.540 3.307 1.00 15.00 C ATOM 292 C VAL A 384 -0.749 -0.636 4.663 1.00 15.00 C ATOM 293 O VAL A 384 -0.376 -1.722 5.088 1.00 15.00 O ATOM 294 CB VAL A 384 -2.636 -1.501 3.338 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.924 -0.741 3.171 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.509 -2.570 2.277 1.00 15.00 C ATOM 0 H VAL A 384 -0.208 -1.828 2.183 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.766 0.484 3.129 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.646 -1.994 4.310 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.763 -1.437 3.195 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.028 -0.019 3.981 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -3.916 -0.216 2.216 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.372 -3.234 2.324 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.464 -2.103 1.293 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.599 -3.145 2.447 1.00 15.00 H new ATOM 306 N ASN A 385 -0.632 0.479 5.372 1.00 15.00 N ATOM 307 CA ASN A 385 0.068 0.489 6.654 1.00 15.00 C ATOM 308 C ASN A 385 -0.896 0.282 7.823 1.00 15.00 C ATOM 309 O ASN A 385 -1.833 1.056 7.973 1.00 15.00 O ATOM 310 CB ASN A 385 0.774 1.822 6.874 1.00 15.00 C ATOM 311 CG ASN A 385 1.572 1.830 8.166 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.064 0.668 8.574 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.753 2.864 8.790 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.009 1.383 5.086 1.00 15.00 H new ATOM 0 HA ASN A 385 0.789 -0.328 6.619 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.439 2.024 6.034 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.037 2.625 6.897 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.360 3.741 8.448 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.297 2.850 9.653 1.00 15.00 H new ATOM 320 N HIS A 386 -0.646 -0.716 8.682 1.00 15.00 N ATOM 321 CA HIS A 386 -1.547 -0.996 9.812 1.00 15.00 C ATOM 322 C HIS A 386 -1.169 -0.129 10.987 1.00 15.00 C ATOM 323 O HIS A 386 -1.910 0.022 11.956 1.00 15.00 O ATOM 324 CB HIS A 386 -1.505 -2.480 10.235 1.00 15.00 C ATOM 325 CG HIS A 386 -1.196 -3.375 9.093 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.489 -2.999 7.816 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.459 -4.501 8.994 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.933 -3.816 6.982 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.309 -4.754 7.659 1.00 15.00 N ATOM 0 H HIS A 386 0.161 -1.336 8.619 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.563 -0.772 9.486 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.754 -2.614 11.014 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.466 -2.761 10.666 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.065 -5.088 9.810 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -0.975 -3.740 5.905 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.202 -5.539 7.256 1.00 15.00 H new ATOM 338 N ASN A 387 0.011 0.426 10.871 1.00 15.00 N ATOM 339 CA ASN A 387 0.653 1.146 11.933 1.00 15.00 C ATOM 340 C ASN A 387 0.194 2.606 11.945 1.00 15.00 C ATOM 341 O ASN A 387 0.258 3.287 12.967 1.00 15.00 O ATOM 342 CB ASN A 387 2.154 1.016 11.691 1.00 15.00 C ATOM 343 CG ASN A 387 3.012 1.565 12.821 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.361 0.843 13.755 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.362 2.838 12.751 1.00 15.00 N ATOM 0 H ASN A 387 0.562 0.387 10.014 1.00 15.00 H new ATOM 0 HA ASN A 387 0.393 0.743 12.912 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.398 -0.036 11.541 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.409 1.537 10.768 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.938 3.250 13.485 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.056 3.409 11.963 1.00 15.00 H new ATOM 352 N ASN A 388 -0.251 3.079 10.787 1.00 15.00 N ATOM 353 CA ASN A 388 -0.770 4.436 10.647 1.00 15.00 C ATOM 354 C ASN A 388 -2.220 4.395 10.169 1.00 15.00 C ATOM 355 O ASN A 388 -2.930 5.400 10.222 1.00 15.00 O ATOM 356 CB ASN A 388 0.096 5.262 9.685 1.00 15.00 C ATOM 357 CG ASN A 388 -0.212 6.750 9.735 1.00 15.00 C ATOM 358 OD1 ASN A 388 0.286 7.470 10.603 1.00 15.00 O ATOM 359 ND2 ASN A 388 -1.005 7.234 8.792 1.00 15.00 N ATOM 0 H ASN A 388 -0.263 2.537 9.923 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.736 4.920 11.623 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.147 5.106 9.927 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.054 4.900 8.668 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.220 8.231 8.769 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.401 6.610 8.089 1.00 15.00 H new ATOM 366 N ARG A 389 -2.640 3.219 9.682 1.00 15.00 N ATOM 367 CA ARG A 389 -3.982 3.024 9.120 1.00 15.00 C ATOM 368 C ARG A 389 -4.106 3.786 7.806 1.00 15.00 C ATOM 369 O ARG A 389 -4.759 4.828 7.739 1.00 15.00 O ATOM 370 CB ARG A 389 -5.106 3.432 10.094 1.00 15.00 C ATOM 371 CG ARG A 389 -5.203 2.572 11.353 1.00 15.00 C ATOM 372 CD ARG A 389 -4.108 2.899 12.354 1.00 15.00 C ATOM 373 NE ARG A 389 -4.141 2.025 13.523 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.513 2.292 14.667 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.819 3.416 14.798 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.586 1.439 15.681 1.00 15.00 N ATOM 0 H ARG A 389 -2.061 2.380 9.667 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.106 1.956 8.939 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.953 4.470 10.390 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.059 3.389 9.566 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.177 2.722 11.820 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.140 1.519 11.078 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -3.137 2.812 11.867 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -4.212 3.935 12.676 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.676 1.159 13.460 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.766 4.076 14.022 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -2.339 3.619 15.674 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -4.124 0.577 15.585 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -3.105 1.645 16.556 1.00 15.00 H new ATOM 390 N THR A 390 -3.411 3.308 6.777 1.00 15.00 N ATOM 391 CA THR A 390 -3.267 4.087 5.558 1.00 15.00 C ATOM 392 C THR A 390 -3.208 3.220 4.281 1.00 15.00 C ATOM 393 O THR A 390 -2.743 2.082 4.325 1.00 15.00 O ATOM 394 CB THR A 390 -1.986 4.955 5.685 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.219 6.013 6.622 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.501 5.531 4.355 1.00 15.00 C ATOM 0 H THR A 390 -2.947 2.400 6.765 1.00 15.00 H new ATOM 0 HA THR A 390 -4.154 4.711 5.449 1.00 15.00 H new ATOM 0 HB THR A 390 -1.192 4.296 6.038 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.790 6.834 6.302 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.603 6.126 4.522 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.274 4.717 3.667 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.279 6.162 3.926 1.00 15.00 H new ATOM 404 N THR A 391 -3.691 3.779 3.156 1.00 15.00 N ATOM 405 CA THR A 391 -3.637 3.139 1.851 1.00 15.00 C ATOM 406 C THR A 391 -3.049 4.133 0.833 1.00 15.00 C ATOM 407 O THR A 391 -3.564 5.245 0.694 1.00 15.00 O ATOM 408 CB THR A 391 -5.053 2.700 1.412 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.071 2.412 0.018 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.087 3.773 1.723 1.00 15.00 C ATOM 0 H THR A 391 -4.133 4.698 3.139 1.00 15.00 H new ATOM 0 HA THR A 391 -3.005 2.252 1.904 1.00 15.00 H new ATOM 0 HB THR A 391 -5.309 1.801 1.973 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.932 1.452 -0.119 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.072 3.433 1.402 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.101 3.965 2.796 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.830 4.691 1.194 1.00 15.00 H new ATOM 418 N THR A 392 -1.947 3.778 0.159 1.00 15.00 N ATOM 419 CA THR A 392 -1.236 4.766 -0.647 1.00 15.00 C ATOM 420 C THR A 392 -0.506 4.168 -1.860 1.00 15.00 C ATOM 421 O THR A 392 -0.090 3.008 -1.837 1.00 15.00 O ATOM 422 CB THR A 392 -0.243 5.529 0.243 1.00 15.00 C ATOM 423 OG1 THR A 392 0.265 6.677 -0.447 1.00 15.00 O ATOM 424 CG2 THR A 392 0.916 4.640 0.679 1.00 15.00 C ATOM 0 H THR A 392 -1.542 2.842 0.157 1.00 15.00 H new ATOM 0 HA THR A 392 -1.989 5.442 -1.053 1.00 15.00 H new ATOM 0 HB THR A 392 -0.782 5.849 1.135 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.895 7.155 0.132 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.598 5.213 1.307 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.531 3.791 1.243 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.449 4.280 -0.201 1.00 15.00 H new ATOM 432 N TRP A 393 -0.377 4.974 -2.930 1.00 15.00 N ATOM 433 CA TRP A 393 0.432 4.597 -4.097 1.00 15.00 C ATOM 434 C TRP A 393 1.919 4.745 -3.782 1.00 15.00 C ATOM 435 O TRP A 393 2.768 4.089 -4.389 1.00 15.00 O ATOM 436 CB TRP A 393 0.152 5.491 -5.327 1.00 15.00 C ATOM 437 CG TRP A 393 -1.269 5.549 -5.818 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.907 6.645 -6.335 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.215 4.482 -5.876 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.192 6.323 -6.687 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.404 5.001 -6.416 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.172 3.143 -5.517 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.536 4.219 -6.604 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.299 2.365 -5.705 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.466 2.905 -6.244 1.00 15.00 C ATOM 0 H TRP A 393 -0.823 5.888 -3.008 1.00 15.00 H new ATOM 0 HA TRP A 393 0.164 3.565 -4.324 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.470 6.506 -5.088 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.780 5.145 -6.148 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.462 7.622 -6.449 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.877 6.965 -7.086 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.273 2.715 -5.098 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.441 4.637 -7.021 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.275 1.321 -5.430 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.330 2.272 -6.379 1.00 15.00 H new ATOM 456 N THR A 394 2.219 5.643 -2.857 1.00 15.00 N ATOM 457 CA THR A 394 3.585 6.075 -2.603 1.00 15.00 C ATOM 458 C THR A 394 4.376 5.027 -1.821 1.00 15.00 C ATOM 459 O THR A 394 3.817 4.288 -1.010 1.00 15.00 O ATOM 460 CB THR A 394 3.562 7.410 -1.835 1.00 15.00 C ATOM 461 OG1 THR A 394 2.705 8.331 -2.525 1.00 15.00 O ATOM 462 CG2 THR A 394 4.955 8.012 -1.714 1.00 15.00 C ATOM 0 H THR A 394 1.524 6.093 -2.262 1.00 15.00 H new ATOM 0 HA THR A 394 4.086 6.208 -3.562 1.00 15.00 H new ATOM 0 HB THR A 394 3.190 7.219 -0.828 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.684 9.183 -2.041 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.899 8.953 -1.166 1.00 15.00 H new ATOM 0 HG22 THR A 394 5.605 7.320 -1.180 1.00 15.00 H new ATOM 0 HG23 THR A 394 5.360 8.195 -2.709 1.00 15.00 H new ATOM 470 N ARG A 395 5.680 4.961 -2.082 1.00 15.00 N ATOM 471 CA ARG A 395 6.549 4.039 -1.373 1.00 15.00 C ATOM 472 C ARG A 395 6.723 4.462 0.078 1.00 15.00 C ATOM 473 O ARG A 395 6.982 5.631 0.376 1.00 15.00 O ATOM 474 CB ARG A 395 7.911 3.919 -2.053 1.00 15.00 C ATOM 475 CG ARG A 395 7.908 2.957 -3.227 1.00 15.00 C ATOM 476 CD ARG A 395 9.159 2.095 -3.230 1.00 15.00 C ATOM 477 NE ARG A 395 10.365 2.867 -3.527 1.00 15.00 N ATOM 478 CZ ARG A 395 11.590 2.522 -3.137 1.00 15.00 C ATOM 479 NH1 ARG A 395 11.781 1.429 -2.403 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 12.625 3.276 -3.483 1.00 15.00 N ATOM 0 H ARG A 395 6.153 5.536 -2.779 1.00 15.00 H new ATOM 0 HA ARG A 395 6.071 3.060 -1.397 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.226 4.904 -2.399 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.648 3.588 -1.321 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.024 2.321 -3.178 1.00 15.00 H new ATOM 0 HG3 ARG A 395 7.846 3.517 -4.160 1.00 15.00 H new ATOM 0 HD2 ARG A 395 9.268 1.614 -2.258 1.00 15.00 H new ATOM 0 HD3 ARG A 395 9.048 1.300 -3.968 1.00 15.00 H new ATOM 0 HE ARG A 395 10.261 3.725 -4.068 1.00 15.00 H new ATOM 0 HH11 ARG A 395 10.986 0.849 -2.135 1.00 15.00 H new ATOM 0 HH12 ARG A 395 12.723 1.171 -2.108 1.00 15.00 H new ATOM 0 HH21 ARG A 395 12.480 4.115 -4.045 1.00 15.00 H new ATOM 0 HH22 ARG A 395 13.566 3.017 -3.187 1.00 15.00 H new ATOM 494 N PRO A 396 6.616 3.490 0.987 1.00 15.00 N ATOM 495 CA PRO A 396 6.625 3.724 2.434 1.00 15.00 C ATOM 496 C PRO A 396 7.981 4.164 2.977 1.00 15.00 C ATOM 497 O PRO A 396 9.020 3.596 2.638 1.00 15.00 O ATOM 498 CB PRO A 396 6.277 2.348 3.012 1.00 15.00 C ATOM 499 CG PRO A 396 5.708 1.576 1.873 1.00 15.00 C ATOM 500 CD PRO A 396 6.441 2.068 0.673 1.00 15.00 C ATOM 0 HA PRO A 396 5.939 4.528 2.700 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.161 1.857 3.417 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.558 2.434 3.827 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.851 0.504 2.011 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.635 1.745 1.778 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.395 1.559 0.540 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.870 1.919 -0.244 1.00 15.00 H new ATOM 616 N PRO B 180 -8.129 6.421 -7.336 1.00 15.00 N ATOM 617 CA PRO B 180 -7.440 6.057 -6.101 1.00 15.00 C ATOM 618 C PRO B 180 -7.591 4.728 -5.415 1.00 15.00 C ATOM 619 O PRO B 180 -8.416 3.868 -5.729 1.00 15.00 O ATOM 620 CB PRO B 180 -7.992 7.128 -5.183 1.00 15.00 C ATOM 621 CG PRO B 180 -7.576 8.204 -6.015 1.00 15.00 C ATOM 622 CD PRO B 180 -8.351 7.886 -7.278 1.00 15.00 C ATOM 0 HA PRO B 180 -6.381 5.975 -6.346 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.071 7.073 -5.040 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.539 7.136 -4.192 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.840 9.176 -5.599 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.498 8.209 -6.179 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.406 8.147 -7.199 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.958 8.405 -8.153 1.00 15.00 H new ATOM 630 N PRO B 181 -6.701 4.643 -4.405 1.00 15.00 N ATOM 631 CA PRO B 181 -6.425 3.469 -3.578 1.00 15.00 C ATOM 632 C PRO B 181 -7.659 2.774 -3.001 1.00 15.00 C ATOM 633 O PRO B 181 -8.628 3.413 -2.580 1.00 15.00 O ATOM 634 CB PRO B 181 -5.585 4.052 -2.423 1.00 15.00 C ATOM 635 CG PRO B 181 -5.624 5.539 -2.580 1.00 15.00 C ATOM 636 CD PRO B 181 -5.851 5.792 -3.999 1.00 15.00 C ATOM 0 HA PRO B 181 -5.944 2.695 -4.176 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.992 3.753 -1.457 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.560 3.684 -2.464 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.420 5.974 -1.975 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.689 5.990 -2.249 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.353 6.745 -4.165 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.917 5.822 -4.559 1.00 15.00 H new ATOM 644 N PRO B 182 -7.594 1.435 -2.971 1.00 15.00 N ATOM 645 CA PRO B 182 -8.535 0.578 -2.241 1.00 15.00 C ATOM 646 C PRO B 182 -8.337 0.725 -0.732 1.00 15.00 C ATOM 647 O PRO B 182 -7.237 1.035 -0.285 1.00 15.00 O ATOM 648 CB PRO B 182 -8.166 -0.845 -2.696 1.00 15.00 C ATOM 649 CG PRO B 182 -7.318 -0.661 -3.909 1.00 15.00 C ATOM 650 CD PRO B 182 -6.598 0.634 -3.694 1.00 15.00 C ATOM 0 HA PRO B 182 -9.577 0.830 -2.441 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.625 -1.380 -1.915 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.058 -1.429 -2.924 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.616 -1.486 -4.027 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.926 -0.628 -4.813 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.686 0.500 -3.113 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.310 1.099 -4.637 1.00 15.00 H new ATOM 658 N GLY B 183 -9.412 0.533 0.035 1.00 15.00 N ATOM 659 CA GLY B 183 -9.384 0.754 1.480 1.00 15.00 C ATOM 660 C GLY B 183 -8.235 0.062 2.213 1.00 15.00 C ATOM 661 O GLY B 183 -7.534 -0.782 1.661 1.00 15.00 O ATOM 0 H GLY B 183 -10.316 0.224 -0.323 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.323 1.826 1.668 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.327 0.409 1.904 1.00 15.00 H new ATOM 665 N TYR B 184 -8.098 0.379 3.493 1.00 15.00 N ATOM 666 CA TYR B 184 -6.947 -0.039 4.279 1.00 15.00 C ATOM 667 C TYR B 184 -7.147 -1.411 4.970 1.00 15.00 C ATOM 668 O TYR B 184 -8.154 -1.641 5.641 1.00 15.00 O ATOM 669 CB TYR B 184 -6.588 1.078 5.287 1.00 15.00 C ATOM 670 CG TYR B 184 -5.982 0.584 6.575 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.723 0.011 6.624 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.705 0.688 7.757 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.203 -0.445 7.817 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.191 0.237 8.950 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.940 -0.328 8.976 1.00 15.00 C ATOM 676 OH TYR B 184 -4.416 -0.774 10.164 1.00 15.00 O ATOM 0 H TYR B 184 -8.779 0.931 4.014 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.108 -0.190 3.599 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.890 1.768 4.813 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.490 1.645 5.518 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.142 -0.080 5.718 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.690 1.132 7.738 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.221 -0.893 7.843 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.767 0.327 9.859 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.118 -1.215 10.686 1.00 15.00 H new ATOM 686 N LEU B 185 -6.150 -2.315 4.789 1.00 15.00 N ATOM 687 CA LEU B 185 -6.168 -3.684 5.321 1.00 15.00 C ATOM 688 C LEU B 185 -7.208 -4.557 4.672 1.00 15.00 C ATOM 689 O LEU B 185 -7.470 -5.672 5.123 1.00 15.00 O ATOM 690 CB LEU B 185 -6.276 -3.724 6.835 1.00 15.00 C ATOM 691 CG LEU B 185 -4.934 -3.734 7.536 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.114 -3.711 9.045 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.132 -4.956 7.117 1.00 15.00 C ATOM 0 H LEU B 185 -5.304 -2.101 4.261 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.198 -4.105 5.057 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.847 -2.860 7.174 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.837 -4.612 7.128 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.387 -2.838 7.244 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -4.137 -3.719 9.528 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.654 -2.809 9.333 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.680 -4.589 9.357 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.169 -4.952 7.628 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.680 -5.860 7.383 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -3.971 -4.934 6.039 1.00 15.00 H new ATOM 705 N SER B 186 -7.755 -4.083 3.585 1.00 15.00 N ATOM 706 CA SER B 186 -8.488 -4.948 2.713 1.00 15.00 C ATOM 707 C SER B 186 -7.503 -5.487 1.687 1.00 15.00 C ATOM 708 O SER B 186 -7.160 -4.800 0.731 1.00 15.00 O ATOM 709 CB SER B 186 -9.603 -4.145 2.056 1.00 15.00 C ATOM 710 OG SER B 186 -10.238 -4.860 1.005 1.00 15.00 O ATOM 0 H SER B 186 -7.705 -3.109 3.287 1.00 15.00 H new ATOM 0 HA SER B 186 -8.947 -5.781 3.245 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.344 -3.875 2.808 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.194 -3.214 1.663 1.00 15.00 H new ATOM 0 HG SER B 186 -10.947 -4.307 0.615 1.00 15.00 H new ATOM 716 N GLU B 187 -7.028 -6.705 1.912 1.00 15.00 N ATOM 717 CA GLU B 187 -5.963 -7.263 1.092 1.00 15.00 C ATOM 718 C GLU B 187 -6.316 -8.662 0.599 1.00 15.00 C ATOM 719 O GLU B 187 -6.387 -9.609 1.383 1.00 15.00 O ATOM 720 CB GLU B 187 -4.625 -7.251 1.865 1.00 15.00 C ATOM 721 CG GLU B 187 -4.078 -5.858 2.088 1.00 15.00 C ATOM 722 CD GLU B 187 -3.627 -5.213 0.803 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.454 -4.557 0.142 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -2.449 -5.372 0.448 1.00 15.00 O ATOM 0 H GLU B 187 -7.362 -7.322 2.652 1.00 15.00 H new ATOM 0 HA GLU B 187 -5.847 -6.635 0.209 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.766 -7.738 2.830 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.890 -7.839 1.316 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -4.844 -5.239 2.554 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.240 -5.905 2.783 1.00 15.00 H new