USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=10 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 151:sc= 1.37 USER MOD Set 1.2: A 394 THR OG1 : rot 71:sc= 1.14 USER MOD Single : A 369 SER OG : rot 44:sc= 0.0557 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 USER MOD Single : A 382 TYR OH : rot 106:sc= 2.22 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN : amide:sc= -6.8! C(o=-6.8!,f=-9!) USER MOD Single : A 386 HIS : no HD1:sc= -8.68! C(o=-8.7!,f=-12!) USER MOD Single : A 387 ASN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD Single : A 388 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.047) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 90:sc= -0.523! USER MOD Single : B 184 TYR OH : rot -140:sc= -1.16 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.110 -3.406 3.077 1.00 15.00 N ATOM 28 CA PRO A 368 8.350 -3.217 4.492 1.00 15.00 C ATOM 29 C PRO A 368 7.303 -3.923 5.347 1.00 15.00 C ATOM 30 O PRO A 368 6.102 -3.902 5.059 1.00 15.00 O ATOM 31 CB PRO A 368 8.204 -1.710 4.657 1.00 15.00 C ATOM 32 CG PRO A 368 7.149 -1.362 3.676 1.00 15.00 C ATOM 33 CD PRO A 368 7.394 -2.265 2.497 1.00 15.00 C ATOM 0 HA PRO A 368 9.313 -3.619 4.805 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.913 -1.443 5.673 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.138 -1.189 4.445 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.155 -1.521 4.094 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.210 -0.313 3.388 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.460 -2.575 2.029 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.987 -1.769 1.729 1.00 15.00 H new ATOM 41 N SER A 369 7.781 -4.519 6.412 1.00 15.00 N ATOM 42 CA SER A 369 6.959 -5.313 7.306 1.00 15.00 C ATOM 43 C SER A 369 5.988 -4.431 8.091 1.00 15.00 C ATOM 44 O SER A 369 6.418 -3.540 8.827 1.00 15.00 O ATOM 45 CB SER A 369 7.862 -6.067 8.275 1.00 15.00 C ATOM 46 OG SER A 369 8.953 -5.254 8.683 1.00 15.00 O ATOM 0 H SER A 369 8.761 -4.469 6.689 1.00 15.00 H new ATOM 0 HA SER A 369 6.375 -6.015 6.711 1.00 15.00 H new ATOM 0 HB2 SER A 369 7.288 -6.378 9.148 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.236 -6.974 7.800 1.00 15.00 H new ATOM 0 HG SER A 369 8.630 -4.352 8.890 1.00 15.00 H new ATOM 52 N GLY A 370 4.689 -4.664 7.938 1.00 15.00 N ATOM 53 CA GLY A 370 3.720 -3.891 8.672 1.00 15.00 C ATOM 54 C GLY A 370 2.652 -3.367 7.754 1.00 15.00 C ATOM 55 O GLY A 370 1.657 -2.790 8.197 1.00 15.00 O ATOM 0 H GLY A 370 4.296 -5.373 7.319 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.268 -4.508 9.449 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.215 -3.060 9.174 1.00 15.00 H new ATOM 59 N TRP A 371 2.913 -3.467 6.459 1.00 15.00 N ATOM 60 CA TRP A 371 1.925 -3.209 5.464 1.00 15.00 C ATOM 61 C TRP A 371 1.688 -4.451 4.623 1.00 15.00 C ATOM 62 O TRP A 371 2.617 -5.216 4.368 1.00 15.00 O ATOM 63 CB TRP A 371 2.423 -2.114 4.554 1.00 15.00 C ATOM 64 CG TRP A 371 3.045 -0.932 5.239 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.739 -0.875 6.405 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.006 0.375 4.747 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.157 0.401 6.642 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.707 1.202 5.626 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.435 0.893 3.632 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.844 2.569 5.402 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.547 2.250 3.385 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.251 3.079 4.273 1.00 15.00 C ATOM 0 H TRP A 371 3.824 -3.731 6.084 1.00 15.00 H new ATOM 0 HA TRP A 371 0.997 -2.917 5.956 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.156 -2.541 3.869 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.588 -1.762 3.948 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.932 -1.719 7.051 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.711 0.708 7.441 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.899 0.255 2.945 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.392 3.200 6.086 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.090 2.674 2.503 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.328 4.136 4.065 1.00 15.00 H new ATOM 83 N GLU A 372 0.462 -4.640 4.174 1.00 15.00 N ATOM 84 CA GLU A 372 0.186 -5.672 3.196 1.00 15.00 C ATOM 85 C GLU A 372 0.163 -5.004 1.831 1.00 15.00 C ATOM 86 O GLU A 372 -0.142 -3.814 1.742 1.00 15.00 O ATOM 87 CB GLU A 372 -1.137 -6.413 3.481 1.00 15.00 C ATOM 88 CG GLU A 372 -1.328 -6.806 4.938 1.00 15.00 C ATOM 89 CD GLU A 372 -0.164 -7.596 5.500 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.069 -8.730 5.037 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.506 -7.091 6.429 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.351 -4.098 4.468 1.00 15.00 H new ATOM 0 HA GLU A 372 0.962 -6.436 3.239 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.969 -5.779 3.175 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.178 -7.312 2.865 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.469 -5.905 5.535 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.239 -7.397 5.032 1.00 15.00 H new ATOM 98 N GLU A 373 0.526 -5.720 0.779 1.00 15.00 N ATOM 99 CA GLU A 373 0.553 -5.106 -0.536 1.00 15.00 C ATOM 100 C GLU A 373 -0.399 -5.777 -1.499 1.00 15.00 C ATOM 101 O GLU A 373 -0.653 -6.982 -1.419 1.00 15.00 O ATOM 102 CB GLU A 373 1.959 -5.069 -1.132 1.00 15.00 C ATOM 103 CG GLU A 373 2.649 -6.422 -1.271 1.00 15.00 C ATOM 104 CD GLU A 373 2.222 -7.197 -2.508 1.00 15.00 C ATOM 105 OE1 GLU A 373 1.846 -6.565 -3.517 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.278 -8.445 -2.479 1.00 15.00 O1- ATOM 0 H GLU A 373 0.799 -6.702 0.807 1.00 15.00 H new ATOM 0 HA GLU A 373 0.221 -4.078 -0.388 1.00 15.00 H new ATOM 0 HB2 GLU A 373 1.905 -4.605 -2.117 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.581 -4.425 -0.510 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.728 -6.269 -1.302 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.437 -7.021 -0.386 1.00 15.00 H new ATOM 113 N ARG A 374 -0.887 -4.983 -2.428 1.00 15.00 N ATOM 114 CA ARG A 374 -1.781 -5.469 -3.465 1.00 15.00 C ATOM 115 C ARG A 374 -1.554 -4.702 -4.756 1.00 15.00 C ATOM 116 O ARG A 374 -1.800 -3.496 -4.834 1.00 15.00 O ATOM 117 CB ARG A 374 -3.255 -5.380 -3.049 1.00 15.00 C ATOM 118 CG ARG A 374 -3.654 -6.411 -2.006 1.00 15.00 C ATOM 119 CD ARG A 374 -5.159 -6.606 -1.940 1.00 15.00 C ATOM 120 NE ARG A 374 -5.873 -5.390 -1.574 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.084 -5.073 -2.032 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.752 -5.934 -2.793 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.646 -3.921 -1.689 1.00 15.00 N ATOM 0 H ARG A 374 -0.678 -3.986 -2.489 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.551 -6.523 -3.623 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.454 -4.383 -2.657 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.882 -5.507 -3.932 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.176 -7.363 -2.237 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.286 -6.098 -1.029 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.518 -6.954 -2.908 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.388 -7.388 -1.215 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.419 -4.743 -0.929 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.338 -6.837 -3.026 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.679 -5.692 -3.144 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.151 -3.275 -1.073 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.573 -3.681 -2.041 1.00 15.00 H new ATOM 137 N LYS A 375 -1.042 -5.396 -5.757 1.00 15.00 N ATOM 138 CA LYS A 375 -0.857 -4.818 -7.069 1.00 15.00 C ATOM 139 C LYS A 375 -2.116 -5.044 -7.910 1.00 15.00 C ATOM 140 O LYS A 375 -2.436 -6.181 -8.256 1.00 15.00 O ATOM 141 CB LYS A 375 0.386 -5.432 -7.738 1.00 15.00 C ATOM 142 CG LYS A 375 0.611 -5.012 -9.187 1.00 15.00 C ATOM 143 CD LYS A 375 0.022 -6.025 -10.160 1.00 15.00 C ATOM 144 CE LYS A 375 0.717 -7.375 -10.047 1.00 15.00 C ATOM 145 NZ LYS A 375 0.075 -8.405 -10.904 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.746 -6.369 -5.681 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.695 -3.744 -6.982 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.266 -5.159 -7.155 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.302 -6.518 -7.699 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.158 -4.036 -9.358 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.679 -4.905 -9.374 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -1.043 -6.145 -9.962 1.00 15.00 H new ATOM 0 HD3 LYS A 375 0.116 -5.650 -11.179 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.764 -7.269 -10.331 1.00 15.00 H new ATOM 0 HE3 LYS A 375 0.700 -7.706 -9.008 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 0.579 -9.309 -10.797 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -0.917 -8.526 -10.617 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 0.114 -8.103 -11.898 1.00 15.00 H new ATOM 159 N ASP A 376 -2.852 -3.974 -8.198 1.00 15.00 N ATOM 160 CA ASP A 376 -4.061 -4.082 -8.998 1.00 15.00 C ATOM 161 C ASP A 376 -3.708 -3.869 -10.471 1.00 15.00 C ATOM 162 O ASP A 376 -2.960 -2.937 -10.802 1.00 15.00 O ATOM 163 CB ASP A 376 -5.091 -3.046 -8.538 1.00 15.00 C ATOM 164 CG ASP A 376 -6.488 -3.322 -9.069 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.690 -3.249 -10.298 1.00 15.00 O ATOM 166 OD2 ASP A 376 -7.398 -3.586 -8.250 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.631 -3.027 -7.889 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.496 -5.074 -8.873 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.119 -3.029 -7.449 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.773 -2.056 -8.864 1.00 15.00 H new ATOM 171 N ALA A 377 -4.272 -4.702 -11.351 1.00 15.00 N ATOM 172 CA ALA A 377 -3.908 -4.718 -12.770 1.00 15.00 C ATOM 173 C ALA A 377 -4.237 -3.402 -13.467 1.00 15.00 C ATOM 174 O ALA A 377 -3.825 -3.175 -14.607 1.00 15.00 O ATOM 175 CB ALA A 377 -4.600 -5.873 -13.475 1.00 15.00 C ATOM 0 H ALA A 377 -4.991 -5.381 -11.101 1.00 15.00 H new ATOM 0 HA ALA A 377 -2.828 -4.852 -12.826 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.322 -5.875 -14.529 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.295 -6.814 -13.017 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.680 -5.760 -13.385 1.00 15.00 H new ATOM 181 N LYS A 378 -4.967 -2.533 -12.777 1.00 15.00 N ATOM 182 CA LYS A 378 -5.299 -1.218 -13.305 1.00 15.00 C ATOM 183 C LYS A 378 -4.058 -0.326 -13.410 1.00 15.00 C ATOM 184 O LYS A 378 -4.132 0.804 -13.888 1.00 15.00 O ATOM 185 CB LYS A 378 -6.366 -0.549 -12.432 1.00 15.00 C ATOM 186 CG LYS A 378 -5.971 -0.339 -10.971 1.00 15.00 C ATOM 187 CD LYS A 378 -7.154 0.201 -10.189 1.00 15.00 C ATOM 188 CE LYS A 378 -6.856 0.438 -8.714 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.047 1.000 -8.023 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.341 -2.718 -11.846 1.00 15.00 H new ATOM 0 HA LYS A 378 -5.697 -1.352 -14.311 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -6.615 0.419 -12.867 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.271 -1.155 -12.464 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.636 -1.281 -10.537 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.134 0.356 -10.908 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -7.479 1.139 -10.640 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -7.985 -0.499 -10.275 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -6.563 -0.500 -8.241 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.014 1.122 -8.613 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.825 1.155 -7.019 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.309 1.905 -8.463 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.841 0.334 -8.103 1.00 15.00 H new ATOM 203 N GLY A 379 -2.919 -0.844 -12.965 1.00 15.00 N ATOM 204 CA GLY A 379 -1.686 -0.088 -13.031 1.00 15.00 C ATOM 205 C GLY A 379 -1.469 0.731 -11.781 1.00 15.00 C ATOM 206 O GLY A 379 -0.680 1.676 -11.768 1.00 15.00 O ATOM 0 H GLY A 379 -2.829 -1.776 -12.559 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -0.847 -0.770 -13.170 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -1.708 0.571 -13.899 1.00 15.00 H new ATOM 210 N ARG A 380 -2.168 0.357 -10.723 1.00 15.00 N ATOM 211 CA ARG A 380 -2.073 1.059 -9.455 1.00 15.00 C ATOM 212 C ARG A 380 -1.878 0.075 -8.312 1.00 15.00 C ATOM 213 O ARG A 380 -2.816 -0.600 -7.888 1.00 15.00 O ATOM 214 CB ARG A 380 -3.310 1.942 -9.215 1.00 15.00 C ATOM 215 CG ARG A 380 -3.173 3.364 -9.755 1.00 15.00 C ATOM 216 CD ARG A 380 -4.518 4.096 -9.811 1.00 15.00 C ATOM 217 NE ARG A 380 -5.378 3.607 -10.898 1.00 15.00 N ATOM 218 CZ ARG A 380 -4.985 3.393 -12.169 1.00 15.00 C ATOM 219 NH1 ARG A 380 -3.777 3.750 -12.595 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -5.853 2.887 -13.032 1.00 15.00 N ATOM 0 H ARG A 380 -2.812 -0.434 -10.718 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.202 1.713 -9.496 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.176 1.470 -9.679 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.508 1.989 -8.144 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.483 3.925 -9.125 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.738 3.331 -10.754 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.035 3.973 -8.859 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.342 5.164 -9.943 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.354 3.414 -10.671 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.122 4.198 -11.954 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.505 3.576 -13.563 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.802 2.666 -12.731 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.572 2.719 -13.998 1.00 15.00 H new ATOM 234 N THR A 381 -0.638 -0.047 -7.864 1.00 15.00 N ATOM 235 CA THR A 381 -0.312 -0.867 -6.715 1.00 15.00 C ATOM 236 C THR A 381 -0.179 0.028 -5.492 1.00 15.00 C ATOM 237 O THR A 381 0.311 1.154 -5.596 1.00 15.00 O ATOM 238 CB THR A 381 0.995 -1.666 -6.942 1.00 15.00 C ATOM 239 OG1 THR A 381 1.262 -2.519 -5.822 1.00 15.00 O ATOM 240 CG2 THR A 381 2.183 -0.740 -7.169 1.00 15.00 C ATOM 0 H THR A 381 0.165 0.419 -8.287 1.00 15.00 H new ATOM 0 HA THR A 381 -1.113 -1.591 -6.561 1.00 15.00 H new ATOM 0 HB THR A 381 0.855 -2.273 -7.837 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.090 -3.018 -5.981 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.083 -1.335 -7.325 1.00 15.00 H new ATOM 0 HG22 THR A 381 2.000 -0.122 -8.048 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.317 -0.100 -6.297 1.00 15.00 H new ATOM 248 N TYR A 382 -0.638 -0.443 -4.347 1.00 15.00 N ATOM 249 CA TYR A 382 -0.642 0.385 -3.157 1.00 15.00 C ATOM 250 C TYR A 382 -0.209 -0.404 -1.936 1.00 15.00 C ATOM 251 O TYR A 382 -0.419 -1.617 -1.854 1.00 15.00 O ATOM 252 CB TYR A 382 -2.025 0.997 -2.932 1.00 15.00 C ATOM 253 CG TYR A 382 -3.035 0.085 -2.285 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.544 -1.031 -2.940 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.488 0.358 -1.010 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.475 -1.847 -2.331 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.415 -0.445 -0.395 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.910 -1.548 -1.054 1.00 15.00 C ATOM 259 OH TYR A 382 -5.836 -2.352 -0.435 1.00 15.00 O ATOM 0 H TYR A 382 -1.009 -1.384 -4.217 1.00 15.00 H new ATOM 0 HA TYR A 382 0.076 1.190 -3.310 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -1.914 1.887 -2.312 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.420 1.325 -3.894 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.206 -1.262 -3.939 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.105 1.221 -0.486 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.861 -2.713 -2.848 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.756 -0.213 0.603 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.393 -2.891 0.254 1.00 15.00 H new ATOM 269 N TYR A 383 0.401 0.296 -0.998 1.00 15.00 N ATOM 270 CA TYR A 383 0.857 -0.313 0.232 1.00 15.00 C ATOM 271 C TYR A 383 -0.051 0.135 1.386 1.00 15.00 C ATOM 272 O TYR A 383 -0.313 1.332 1.540 1.00 15.00 O ATOM 273 CB TYR A 383 2.313 0.089 0.490 1.00 15.00 C ATOM 274 CG TYR A 383 3.191 0.017 -0.742 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.605 -1.206 -1.257 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.595 1.176 -1.399 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.399 -1.270 -2.389 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.385 1.117 -2.530 1.00 15.00 C ATOM 279 CZ TYR A 383 4.785 -0.107 -3.021 1.00 15.00 C ATOM 280 OH TYR A 383 5.571 -0.168 -4.149 1.00 15.00 O ATOM 0 H TYR A 383 0.592 1.295 -1.068 1.00 15.00 H new ATOM 0 HA TYR A 383 0.809 -1.399 0.154 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.336 1.105 0.883 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.729 -0.560 1.260 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.303 -2.120 -0.767 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.285 2.138 -1.018 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.715 -2.228 -2.776 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.688 2.026 -3.028 1.00 15.00 H new ATOM 0 HH TYR A 383 5.752 0.740 -4.471 1.00 15.00 H new ATOM 290 N VAL A 384 -0.533 -0.816 2.185 1.00 15.00 N ATOM 291 CA VAL A 384 -1.495 -0.516 3.247 1.00 15.00 C ATOM 292 C VAL A 384 -0.846 -0.613 4.608 1.00 15.00 C ATOM 293 O VAL A 384 -0.522 -1.703 5.059 1.00 15.00 O ATOM 294 CB VAL A 384 -2.664 -1.506 3.241 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.977 -0.796 3.470 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.681 -2.285 1.958 1.00 15.00 C ATOM 0 H VAL A 384 -0.274 -1.800 2.118 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.853 0.496 3.057 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.526 -2.208 4.063 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.790 -1.522 3.461 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.953 -0.290 4.435 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.137 -0.063 2.680 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.517 -2.984 1.968 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.791 -1.600 1.118 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.747 -2.837 1.855 1.00 15.00 H new ATOM 306 N ASN A 385 -0.695 0.502 5.290 1.00 15.00 N ATOM 307 CA ASN A 385 -0.005 0.487 6.564 1.00 15.00 C ATOM 308 C ASN A 385 -0.973 0.240 7.722 1.00 15.00 C ATOM 309 O ASN A 385 -1.931 0.985 7.877 1.00 15.00 O ATOM 310 CB ASN A 385 0.700 1.809 6.815 1.00 15.00 C ATOM 311 CG ASN A 385 1.510 1.731 8.083 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.708 2.718 8.776 1.00 15.00 O ATOM 313 ND2 ASN A 385 1.977 0.533 8.393 1.00 15.00 N ATOM 0 H ASN A 385 -1.034 1.417 4.991 1.00 15.00 H new ATOM 0 HA ASN A 385 0.722 -0.324 6.515 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.350 2.049 5.973 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.033 2.612 6.891 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.528 0.404 9.242 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.786 -0.262 7.783 1.00 15.00 H new ATOM 320 N HIS A 386 -0.706 -0.768 8.569 1.00 15.00 N ATOM 321 CA HIS A 386 -1.605 -1.076 9.689 1.00 15.00 C ATOM 322 C HIS A 386 -1.260 -0.199 10.863 1.00 15.00 C ATOM 323 O HIS A 386 -2.021 -0.053 11.815 1.00 15.00 O ATOM 324 CB HIS A 386 -1.531 -2.556 10.119 1.00 15.00 C ATOM 325 CG HIS A 386 -1.226 -3.456 8.981 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.504 -3.075 7.704 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.508 -4.595 8.886 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.963 -3.898 6.874 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.357 -4.853 7.552 1.00 15.00 N ATOM 0 H HIS A 386 0.112 -1.374 8.501 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.623 -0.885 9.350 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.766 -2.672 10.886 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.480 -2.850 10.568 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.127 -5.187 9.705 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.000 -3.819 5.798 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.139 -5.648 7.150 1.00 15.00 H new ATOM 338 N ASN A 387 -0.096 0.387 10.754 1.00 15.00 N ATOM 339 CA ASN A 387 0.535 1.092 11.831 1.00 15.00 C ATOM 340 C ASN A 387 0.047 2.540 11.892 1.00 15.00 C ATOM 341 O ASN A 387 -0.140 3.104 12.968 1.00 15.00 O ATOM 342 CB ASN A 387 2.036 0.996 11.594 1.00 15.00 C ATOM 343 CG ASN A 387 2.869 1.575 12.727 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.952 2.117 12.504 1.00 15.00 O ATOM 345 ND2 ASN A 387 2.380 1.448 13.953 1.00 15.00 N ATOM 0 H ASN A 387 0.449 0.385 9.892 1.00 15.00 H new ATOM 0 HA ASN A 387 0.283 0.655 12.797 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.307 -0.050 11.453 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.284 1.517 10.669 1.00 15.00 H new ATOM 0 HD21 ASN A 387 2.905 1.806 14.751 1.00 15.00 H new ATOM 0 HD22 ASN A 387 1.479 0.993 14.098 1.00 15.00 H new ATOM 352 N ASN A 388 -0.151 3.135 10.725 1.00 15.00 N ATOM 353 CA ASN A 388 -0.727 4.471 10.627 1.00 15.00 C ATOM 354 C ASN A 388 -2.183 4.392 10.189 1.00 15.00 C ATOM 355 O ASN A 388 -2.913 5.380 10.270 1.00 15.00 O ATOM 356 CB ASN A 388 0.057 5.354 9.649 1.00 15.00 C ATOM 357 CG ASN A 388 1.430 5.750 10.166 1.00 15.00 C ATOM 358 OD1 ASN A 388 2.370 5.924 9.389 1.00 15.00 O ATOM 359 ND2 ASN A 388 1.552 5.921 11.474 1.00 15.00 N ATOM 0 H ASN A 388 0.080 2.712 9.826 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.669 4.923 11.617 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.171 4.824 8.703 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.520 6.255 9.442 1.00 15.00 H new ATOM 0 HD21 ASN A 388 2.448 6.207 11.870 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.750 5.767 12.085 1.00 15.00 H new ATOM 366 N ARG A 389 -2.580 3.216 9.687 1.00 15.00 N ATOM 367 CA ARG A 389 -3.921 3.006 9.137 1.00 15.00 C ATOM 368 C ARG A 389 -4.082 3.780 7.841 1.00 15.00 C ATOM 369 O ARG A 389 -4.756 4.810 7.800 1.00 15.00 O ATOM 370 CB ARG A 389 -5.027 3.392 10.125 1.00 15.00 C ATOM 371 CG ARG A 389 -5.044 2.567 11.399 1.00 15.00 C ATOM 372 CD ARG A 389 -6.170 3.010 12.315 1.00 15.00 C ATOM 373 NE ARG A 389 -6.002 4.398 12.744 1.00 15.00 N ATOM 374 CZ ARG A 389 -6.859 5.381 12.472 1.00 15.00 C ATOM 375 NH1 ARG A 389 -7.958 5.146 11.763 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -6.614 6.607 12.906 1.00 15.00 N ATOM 0 H ARG A 389 -1.983 2.389 9.651 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.025 1.939 8.941 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.912 4.443 10.389 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.992 3.292 9.629 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.164 1.512 11.152 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.089 2.667 11.915 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -7.124 2.901 11.799 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.205 2.360 13.189 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.171 4.629 13.289 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -8.153 4.205 11.421 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.607 5.907 11.561 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -5.771 6.797 13.447 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.268 7.362 12.699 1.00 15.00 H new ATOM 390 N THR A 390 -3.398 3.332 6.800 1.00 15.00 N ATOM 391 CA THR A 390 -3.332 4.108 5.580 1.00 15.00 C ATOM 392 C THR A 390 -3.328 3.231 4.312 1.00 15.00 C ATOM 393 O THR A 390 -2.836 2.104 4.339 1.00 15.00 O ATOM 394 CB THR A 390 -2.061 4.997 5.626 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.260 6.080 6.542 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.646 5.538 4.260 1.00 15.00 C ATOM 0 H THR A 390 -2.889 2.448 6.778 1.00 15.00 H new ATOM 0 HA THR A 390 -4.230 4.723 5.522 1.00 15.00 H new ATOM 0 HB THR A 390 -1.245 4.358 5.965 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.455 6.638 6.569 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.751 6.150 4.368 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.438 4.706 3.587 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.453 6.144 3.848 1.00 15.00 H new ATOM 404 N THR A 391 -3.893 3.762 3.217 1.00 15.00 N ATOM 405 CA THR A 391 -3.854 3.130 1.914 1.00 15.00 C ATOM 406 C THR A 391 -3.336 4.155 0.895 1.00 15.00 C ATOM 407 O THR A 391 -3.980 5.183 0.674 1.00 15.00 O ATOM 408 CB THR A 391 -5.263 2.650 1.503 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.307 2.422 0.098 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.335 3.659 1.899 1.00 15.00 C ATOM 0 H THR A 391 -4.392 4.652 3.224 1.00 15.00 H new ATOM 0 HA THR A 391 -3.195 2.262 1.947 1.00 15.00 H new ATOM 0 HB THR A 391 -5.467 1.719 2.031 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.053 1.494 -0.091 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.314 3.288 1.594 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.321 3.800 2.980 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.138 4.611 1.406 1.00 15.00 H new ATOM 418 N THR A 392 -2.164 3.929 0.304 1.00 15.00 N ATOM 419 CA THR A 392 -1.544 4.988 -0.476 1.00 15.00 C ATOM 420 C THR A 392 -0.676 4.470 -1.627 1.00 15.00 C ATOM 421 O THR A 392 -0.124 3.369 -1.558 1.00 15.00 O ATOM 422 CB THR A 392 -0.710 5.893 0.449 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.283 7.068 -0.252 1.00 15.00 O ATOM 424 CG2 THR A 392 0.502 5.154 1.002 1.00 15.00 C ATOM 0 H THR A 392 -1.643 3.053 0.349 1.00 15.00 H new ATOM 0 HA THR A 392 -2.354 5.556 -0.934 1.00 15.00 H new ATOM 0 HB THR A 392 -1.345 6.184 1.286 1.00 15.00 H new ATOM 0 HG1 THR A 392 -0.182 7.809 0.382 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.070 5.821 1.651 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.170 4.287 1.573 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.135 4.825 0.178 1.00 15.00 H new ATOM 432 N TRP A 393 -0.593 5.271 -2.699 1.00 15.00 N ATOM 433 CA TRP A 393 0.351 5.015 -3.790 1.00 15.00 C ATOM 434 C TRP A 393 1.762 5.401 -3.347 1.00 15.00 C ATOM 435 O TRP A 393 2.745 5.114 -4.032 1.00 15.00 O ATOM 436 CB TRP A 393 0.029 5.844 -5.049 1.00 15.00 C ATOM 437 CG TRP A 393 -1.377 5.754 -5.577 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.115 6.788 -6.082 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.205 4.591 -5.677 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.343 6.340 -6.487 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.426 4.998 -6.245 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.040 3.250 -5.342 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.468 4.111 -6.486 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.082 2.371 -5.580 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.280 2.805 -6.146 1.00 15.00 C ATOM 0 H TRP A 393 -1.170 6.102 -2.831 1.00 15.00 H new ATOM 0 HA TRP A 393 0.274 3.954 -4.029 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.244 6.890 -4.832 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.710 5.536 -5.842 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.777 7.812 -6.151 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.077 6.914 -6.902 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.116 2.902 -4.904 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.395 4.445 -6.928 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -2.965 1.329 -5.322 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.074 2.093 -6.318 1.00 15.00 H new ATOM 456 N THR A 394 1.844 6.102 -2.221 1.00 15.00 N ATOM 457 CA THR A 394 3.101 6.654 -1.746 1.00 15.00 C ATOM 458 C THR A 394 4.033 5.560 -1.226 1.00 15.00 C ATOM 459 O THR A 394 3.586 4.534 -0.711 1.00 15.00 O ATOM 460 CB THR A 394 2.854 7.693 -0.629 1.00 15.00 C ATOM 461 OG1 THR A 394 1.792 8.575 -1.015 1.00 15.00 O ATOM 462 CG2 THR A 394 4.106 8.510 -0.340 1.00 15.00 C ATOM 0 H THR A 394 1.046 6.301 -1.618 1.00 15.00 H new ATOM 0 HA THR A 394 3.580 7.142 -2.595 1.00 15.00 H new ATOM 0 HB THR A 394 2.582 7.152 0.277 1.00 15.00 H new ATOM 0 HG1 THR A 394 0.941 8.090 -0.996 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.896 9.231 0.450 1.00 15.00 H new ATOM 0 HG22 THR A 394 4.909 7.845 -0.021 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.411 9.040 -1.242 1.00 15.00 H new ATOM 470 N ARG A 395 5.329 5.791 -1.377 1.00 15.00 N ATOM 471 CA ARG A 395 6.342 4.870 -0.888 1.00 15.00 C ATOM 472 C ARG A 395 6.385 4.877 0.637 1.00 15.00 C ATOM 473 O ARG A 395 6.372 5.941 1.259 1.00 15.00 O ATOM 474 CB ARG A 395 7.706 5.267 -1.445 1.00 15.00 C ATOM 475 CG ARG A 395 7.901 4.920 -2.908 1.00 15.00 C ATOM 476 CD ARG A 395 8.712 3.645 -3.064 1.00 15.00 C ATOM 477 NE ARG A 395 10.025 3.758 -2.424 1.00 15.00 N ATOM 478 CZ ARG A 395 11.154 3.252 -2.920 1.00 15.00 C ATOM 479 NH1 ARG A 395 11.154 2.629 -4.095 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 12.289 3.390 -2.247 1.00 15.00 N ATOM 0 H ARG A 395 5.706 6.618 -1.840 1.00 15.00 H new ATOM 0 HA ARG A 395 6.090 3.864 -1.222 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.841 6.341 -1.316 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.483 4.776 -0.859 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.930 4.798 -3.389 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.407 5.741 -3.415 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.165 2.810 -2.627 1.00 15.00 H new ATOM 0 HD3 ARG A 395 8.841 3.423 -4.123 1.00 15.00 H new ATOM 0 HE ARG A 395 10.079 4.259 -1.537 1.00 15.00 H new ATOM 0 HH11 ARG A 395 10.286 2.536 -4.623 1.00 15.00 H new ATOM 0 HH12 ARG A 395 12.022 2.244 -4.468 1.00 15.00 H new ATOM 0 HH21 ARG A 395 12.296 3.882 -1.353 1.00 15.00 H new ATOM 0 HH22 ARG A 395 13.155 3.004 -2.623 1.00 15.00 H new ATOM 494 N PRO A 396 6.474 3.690 1.249 1.00 15.00 N ATOM 495 CA PRO A 396 6.462 3.542 2.706 1.00 15.00 C ATOM 496 C PRO A 396 7.733 4.079 3.355 1.00 15.00 C ATOM 497 O PRO A 396 8.845 3.718 2.967 1.00 15.00 O ATOM 498 CB PRO A 396 6.370 2.022 2.919 1.00 15.00 C ATOM 499 CG PRO A 396 5.976 1.461 1.595 1.00 15.00 C ATOM 500 CD PRO A 396 6.561 2.389 0.575 1.00 15.00 C ATOM 0 HA PRO A 396 5.643 4.103 3.157 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.324 1.613 3.251 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.634 1.776 3.685 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.359 0.448 1.469 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.892 1.406 1.499 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.590 2.126 0.329 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.997 2.376 -0.358 1.00 15.00 H new ATOM 616 N PRO B 180 -8.189 6.257 -7.301 1.00 15.00 N ATOM 617 CA PRO B 180 -7.453 5.970 -6.080 1.00 15.00 C ATOM 618 C PRO B 180 -7.557 4.667 -5.347 1.00 15.00 C ATOM 619 O PRO B 180 -8.345 3.762 -5.635 1.00 15.00 O ATOM 620 CB PRO B 180 -8.021 7.059 -5.186 1.00 15.00 C ATOM 621 CG PRO B 180 -7.654 8.112 -6.068 1.00 15.00 C ATOM 622 CD PRO B 180 -8.450 7.716 -7.300 1.00 15.00 C ATOM 0 HA PRO B 180 -6.397 5.920 -6.345 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.095 6.977 -5.017 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.548 7.118 -4.206 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.938 9.093 -5.686 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.581 8.142 -6.257 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.510 7.952 -7.207 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.092 8.206 -8.205 1.00 15.00 H new ATOM 630 N PRO B 181 -6.651 4.639 -4.355 1.00 15.00 N ATOM 631 CA PRO B 181 -6.356 3.502 -3.496 1.00 15.00 C ATOM 632 C PRO B 181 -7.590 2.841 -2.889 1.00 15.00 C ATOM 633 O PRO B 181 -8.494 3.510 -2.378 1.00 15.00 O ATOM 634 CB PRO B 181 -5.481 4.121 -2.390 1.00 15.00 C ATOM 635 CG PRO B 181 -5.589 5.608 -2.564 1.00 15.00 C ATOM 636 CD PRO B 181 -5.834 5.825 -3.986 1.00 15.00 C ATOM 0 HA PRO B 181 -5.881 2.699 -4.059 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.827 3.817 -1.402 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.446 3.791 -2.480 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.401 6.014 -1.961 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.674 6.107 -2.244 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.367 6.758 -4.168 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.906 5.872 -4.555 1.00 15.00 H new ATOM 644 N PRO B 182 -7.613 1.503 -2.938 1.00 15.00 N ATOM 645 CA PRO B 182 -8.624 0.687 -2.262 1.00 15.00 C ATOM 646 C PRO B 182 -8.425 0.749 -0.749 1.00 15.00 C ATOM 647 O PRO B 182 -7.304 0.925 -0.292 1.00 15.00 O ATOM 648 CB PRO B 182 -8.368 -0.737 -2.796 1.00 15.00 C ATOM 649 CG PRO B 182 -7.412 -0.581 -3.940 1.00 15.00 C ATOM 650 CD PRO B 182 -6.648 0.676 -3.674 1.00 15.00 C ATOM 0 HA PRO B 182 -9.643 1.023 -2.451 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.947 -1.376 -2.019 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.297 -1.204 -3.124 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.741 -1.438 -4.007 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.946 -0.519 -4.888 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.750 0.485 -3.086 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.328 1.156 -4.599 1.00 15.00 H new ATOM 658 N GLY B 183 -9.512 0.613 0.008 1.00 15.00 N ATOM 659 CA GLY B 183 -9.494 0.849 1.454 1.00 15.00 C ATOM 660 C GLY B 183 -8.369 0.155 2.222 1.00 15.00 C ATOM 661 O GLY B 183 -7.679 -0.724 1.708 1.00 15.00 O ATOM 0 H GLY B 183 -10.424 0.339 -0.358 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.420 1.922 1.628 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.448 0.524 1.869 1.00 15.00 H new ATOM 665 N TYR B 184 -8.254 0.506 3.496 1.00 15.00 N ATOM 666 CA TYR B 184 -7.128 0.092 4.325 1.00 15.00 C ATOM 667 C TYR B 184 -7.369 -1.255 5.046 1.00 15.00 C ATOM 668 O TYR B 184 -8.377 -1.429 5.733 1.00 15.00 O ATOM 669 CB TYR B 184 -6.787 1.218 5.329 1.00 15.00 C ATOM 670 CG TYR B 184 -6.225 0.734 6.646 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.937 0.237 6.764 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.020 0.769 7.787 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.462 -0.211 7.983 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.552 0.326 9.003 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.272 -0.161 9.098 1.00 15.00 C ATOM 676 OH TYR B 184 -4.801 -0.607 10.312 1.00 15.00 O ATOM 0 H TYR B 184 -8.937 1.085 3.984 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.276 -0.078 3.667 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.067 1.893 4.867 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.689 1.799 5.524 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.297 0.199 5.895 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.027 1.152 7.717 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.457 -0.600 8.062 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.187 0.361 9.876 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.509 -1.100 10.777 1.00 15.00 H new ATOM 686 N LEU B 185 -6.411 -2.198 4.874 1.00 15.00 N ATOM 687 CA LEU B 185 -6.457 -3.533 5.471 1.00 15.00 C ATOM 688 C LEU B 185 -7.640 -4.339 5.027 1.00 15.00 C ATOM 689 O LEU B 185 -8.155 -5.186 5.755 1.00 15.00 O ATOM 690 CB LEU B 185 -6.324 -3.502 6.980 1.00 15.00 C ATOM 691 CG LEU B 185 -4.893 -3.604 7.444 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.818 -3.558 8.961 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.258 -4.881 6.916 1.00 15.00 C ATOM 0 H LEU B 185 -5.578 -2.039 4.307 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.578 -4.051 5.088 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.759 -2.577 7.359 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.899 -4.323 7.408 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.339 -2.752 7.050 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.777 -3.633 9.276 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.238 -2.618 9.318 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.384 -4.390 9.379 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.225 -4.942 7.258 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.814 -5.743 7.284 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.279 -4.874 5.826 1.00 15.00 H new ATOM 705 N SER B 186 -8.027 -4.101 3.809 1.00 15.00 N ATOM 706 CA SER B 186 -8.778 -5.068 3.079 1.00 15.00 C ATOM 707 C SER B 186 -7.822 -5.654 2.059 1.00 15.00 C ATOM 708 O SER B 186 -7.543 -5.037 1.037 1.00 15.00 O ATOM 709 CB SER B 186 -9.965 -4.393 2.414 1.00 15.00 C ATOM 710 OG SER B 186 -10.592 -5.238 1.459 1.00 15.00 O ATOM 0 H SER B 186 -7.831 -3.238 3.301 1.00 15.00 H new ATOM 0 HA SER B 186 -9.180 -5.854 3.718 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.691 -4.104 3.174 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.634 -3.477 1.925 1.00 15.00 H new ATOM 0 HG SER B 186 -11.351 -4.768 1.055 1.00 15.00 H new ATOM 716 N GLU B 187 -7.280 -6.817 2.368 1.00 15.00 N ATOM 717 CA GLU B 187 -6.233 -7.401 1.551 1.00 15.00 C ATOM 718 C GLU B 187 -6.568 -8.844 1.223 1.00 15.00 C ATOM 719 O GLU B 187 -6.594 -9.704 2.107 1.00 15.00 O ATOM 720 CB GLU B 187 -4.863 -7.289 2.252 1.00 15.00 C ATOM 721 CG GLU B 187 -4.404 -5.859 2.472 1.00 15.00 C ATOM 722 CD GLU B 187 -3.949 -5.194 1.196 1.00 15.00 C ATOM 723 OE1 GLU B 187 -2.808 -5.451 0.775 1.00 15.00 O ATOM 724 OE2 GLU B 187 -4.728 -4.415 0.612 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.547 -7.376 3.178 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.169 -6.845 0.615 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.915 -7.796 3.215 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.116 -7.813 1.656 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.220 -5.282 2.907 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.587 -5.850 3.194 1.00 15.00 H new