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 -130:sc= 0.939 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.8 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ 175:sc= 0.752 (180deg=0.739) USER MOD Single : A 381 THR OG1 : rot 39:sc= 0.0547 USER MOD Single : A 382 TYR OH : rot 87:sc= 1.71 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN : amide:sc= -8.18! C(o=-8.2!,f=-8.6!) USER MOD Single : A 386 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-11!) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.357 F(o=-1.6!,f=-0.36) USER MOD Single : A 388 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 73:sc= -0.48 USER MOD Single : B 184 TYR OH : rot -150:sc= -2.3! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.238 -2.946 3.422 1.00 15.00 N ATOM 28 CA PRO A 368 8.474 -2.809 4.833 1.00 15.00 C ATOM 29 C PRO A 368 7.466 -3.612 5.638 1.00 15.00 C ATOM 30 O PRO A 368 6.275 -3.665 5.315 1.00 15.00 O ATOM 31 CB PRO A 368 8.260 -1.322 5.062 1.00 15.00 C ATOM 32 CG PRO A 368 7.171 -0.982 4.113 1.00 15.00 C ATOM 33 CD PRO A 368 7.389 -1.865 2.919 1.00 15.00 C ATOM 0 HA PRO A 368 9.456 -3.169 5.139 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.975 -1.111 6.093 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.165 -0.749 4.858 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.192 -1.160 4.559 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.208 0.071 3.834 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.446 -2.248 2.529 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.873 -1.324 2.106 1.00 15.00 H new ATOM 41 N SER A 369 7.949 -4.197 6.692 1.00 15.00 N ATOM 42 CA SER A 369 7.140 -5.044 7.548 1.00 15.00 C ATOM 43 C SER A 369 6.122 -4.196 8.317 1.00 15.00 C ATOM 44 O SER A 369 6.504 -3.340 9.120 1.00 15.00 O ATOM 45 CB SER A 369 8.039 -5.788 8.532 1.00 15.00 C ATOM 46 OG SER A 369 9.103 -6.445 7.857 1.00 15.00 O ATOM 0 H SER A 369 8.919 -4.106 6.993 1.00 15.00 H new ATOM 0 HA SER A 369 6.605 -5.765 6.930 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.445 -5.086 9.261 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.450 -6.518 9.087 1.00 15.00 H new ATOM 0 HG SER A 369 9.665 -6.913 8.510 1.00 15.00 H new ATOM 52 N GLY A 370 4.833 -4.399 8.046 1.00 15.00 N ATOM 53 CA GLY A 370 3.818 -3.630 8.724 1.00 15.00 C ATOM 54 C GLY A 370 2.739 -3.184 7.770 1.00 15.00 C ATOM 55 O GLY A 370 1.708 -2.658 8.184 1.00 15.00 O ATOM 0 H GLY A 370 4.482 -5.079 7.372 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.377 -4.229 9.521 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.273 -2.759 9.195 1.00 15.00 H new ATOM 59 N TRP A 371 3.023 -3.292 6.479 1.00 15.00 N ATOM 60 CA TRP A 371 2.030 -3.115 5.460 1.00 15.00 C ATOM 61 C TRP A 371 1.792 -4.415 4.706 1.00 15.00 C ATOM 62 O TRP A 371 2.701 -5.233 4.582 1.00 15.00 O ATOM 63 CB TRP A 371 2.542 -2.087 4.476 1.00 15.00 C ATOM 64 CG TRP A 371 3.053 -0.817 5.090 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.732 -0.640 6.255 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.908 0.458 4.526 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.030 0.684 6.426 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.527 1.387 5.365 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.305 0.872 3.381 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.550 2.750 5.070 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.307 2.224 3.067 1.00 15.00 C ATOM 72 CH2 TRP A 371 2.931 3.151 3.915 1.00 15.00 C ATOM 0 H TRP A 371 3.954 -3.506 6.121 1.00 15.00 H new ATOM 0 HA TRP A 371 1.097 -2.797 5.925 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.343 -2.536 3.889 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.739 -1.839 3.782 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.997 -1.429 6.944 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.542 1.081 7.214 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.830 0.158 2.724 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.035 3.459 5.724 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.824 2.565 2.163 1.00 15.00 H new ATOM 0 HH2 TRP A 371 2.923 4.199 3.653 1.00 15.00 H new ATOM 83 N GLU A 372 0.585 -4.594 4.183 1.00 15.00 N ATOM 84 CA GLU A 372 0.347 -5.661 3.221 1.00 15.00 C ATOM 85 C GLU A 372 0.453 -5.046 1.833 1.00 15.00 C ATOM 86 O GLU A 372 0.184 -3.851 1.670 1.00 15.00 O ATOM 87 CB GLU A 372 -1.023 -6.364 3.401 1.00 15.00 C ATOM 88 CG GLU A 372 -1.379 -6.701 4.835 1.00 15.00 C ATOM 89 CD GLU A 372 -0.330 -7.549 5.521 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.183 -8.735 5.165 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.349 -7.027 6.427 1.00 15.00 O ATOM 0 H GLU A 372 -0.231 -4.024 4.404 1.00 15.00 H new ATOM 0 HA GLU A 372 1.091 -6.442 3.376 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.802 -5.723 2.989 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.024 -7.283 2.815 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.515 -5.777 5.397 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.333 -7.228 4.852 1.00 15.00 H new ATOM 98 N GLU A 373 0.873 -5.819 0.842 1.00 15.00 N ATOM 99 CA GLU A 373 1.004 -5.271 -0.497 1.00 15.00 C ATOM 100 C GLU A 373 0.029 -5.896 -1.465 1.00 15.00 C ATOM 101 O GLU A 373 -0.275 -7.089 -1.384 1.00 15.00 O ATOM 102 CB GLU A 373 2.402 -5.452 -1.062 1.00 15.00 C ATOM 103 CG GLU A 373 2.919 -6.884 -1.008 1.00 15.00 C ATOM 104 CD GLU A 373 4.066 -7.137 -1.970 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.855 -7.036 -3.199 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 5.186 -7.446 -1.506 1.00 15.00 O ATOM 0 H GLU A 373 1.123 -6.803 0.936 1.00 15.00 H new ATOM 0 HA GLU A 373 0.789 -4.208 -0.390 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.409 -5.114 -2.098 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.089 -4.809 -0.513 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.247 -7.108 0.007 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.102 -7.568 -1.237 1.00 15.00 H new ATOM 113 N ARG A 374 -0.393 -5.093 -2.421 1.00 15.00 N ATOM 114 CA ARG A 374 -1.277 -5.552 -3.478 1.00 15.00 C ATOM 115 C ARG A 374 -1.043 -4.769 -4.759 1.00 15.00 C ATOM 116 O ARG A 374 -1.047 -3.533 -4.766 1.00 15.00 O ATOM 117 CB ARG A 374 -2.752 -5.474 -3.074 1.00 15.00 C ATOM 118 CG ARG A 374 -3.211 -6.658 -2.241 1.00 15.00 C ATOM 119 CD ARG A 374 -4.698 -6.911 -2.401 1.00 15.00 C ATOM 120 NE ARG A 374 -5.513 -5.790 -1.960 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.644 -5.418 -2.552 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.090 -6.079 -3.615 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.329 -4.388 -2.078 1.00 15.00 N ATOM 0 H ARG A 374 -0.135 -4.108 -2.489 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.039 -6.601 -3.655 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.919 -4.556 -2.511 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.365 -5.412 -3.973 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.656 -7.548 -2.537 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.984 -6.475 -1.191 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.915 -7.122 -3.448 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.973 -7.800 -1.833 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.198 -5.258 -1.149 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.564 -6.874 -3.979 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -7.958 -5.791 -4.067 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.989 -3.882 -1.260 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.197 -4.101 -2.531 1.00 15.00 H new ATOM 137 N LYS A 375 -0.841 -5.490 -5.840 1.00 15.00 N ATOM 138 CA LYS A 375 -0.719 -4.889 -7.144 1.00 15.00 C ATOM 139 C LYS A 375 -2.030 -5.111 -7.892 1.00 15.00 C ATOM 140 O LYS A 375 -2.372 -6.245 -8.230 1.00 15.00 O ATOM 141 CB LYS A 375 0.491 -5.503 -7.874 1.00 15.00 C ATOM 142 CG LYS A 375 0.669 -5.086 -9.335 1.00 15.00 C ATOM 143 CD LYS A 375 -0.170 -5.941 -10.276 1.00 15.00 C ATOM 144 CE LYS A 375 0.084 -7.422 -10.049 1.00 15.00 C ATOM 145 NZ LYS A 375 -0.833 -8.277 -10.844 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.757 -6.507 -5.837 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.542 -3.816 -7.078 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.395 -5.236 -7.327 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.403 -6.589 -7.834 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.390 -4.039 -9.450 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.720 -5.168 -9.610 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -1.227 -5.723 -10.124 1.00 15.00 H new ATOM 0 HD3 LYS A 375 0.063 -5.684 -11.309 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.116 -7.656 -10.312 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -0.035 -7.651 -8.990 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -0.623 -9.278 -10.657 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -1.817 -8.074 -10.576 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -0.702 -8.079 -11.857 1.00 15.00 H new ATOM 159 N ASP A 376 -2.797 -4.048 -8.106 1.00 15.00 N ATOM 160 CA ASP A 376 -4.095 -4.188 -8.743 1.00 15.00 C ATOM 161 C ASP A 376 -3.948 -4.046 -10.257 1.00 15.00 C ATOM 162 O ASP A 376 -3.279 -3.122 -10.736 1.00 15.00 O ATOM 163 CB ASP A 376 -5.073 -3.143 -8.206 1.00 15.00 C ATOM 164 CG ASP A 376 -6.518 -3.522 -8.465 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.921 -3.593 -9.647 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.258 -3.763 -7.488 1.00 15.00 O ATOM 0 H ASP A 376 -2.545 -3.093 -7.851 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.492 -5.177 -8.515 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.918 -3.020 -7.134 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.863 -2.179 -8.671 1.00 15.00 H new ATOM 171 N ALA A 377 -4.606 -4.930 -11.012 1.00 15.00 N ATOM 172 CA ALA A 377 -4.434 -4.999 -12.459 1.00 15.00 C ATOM 173 C ALA A 377 -5.128 -3.842 -13.174 1.00 15.00 C ATOM 174 O ALA A 377 -5.142 -3.783 -14.401 1.00 15.00 O ATOM 175 CB ALA A 377 -4.952 -6.331 -12.976 1.00 15.00 C ATOM 0 H ALA A 377 -5.267 -5.611 -10.638 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.368 -4.916 -12.673 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.821 -6.377 -14.057 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.397 -7.144 -12.508 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.010 -6.428 -12.734 1.00 15.00 H new ATOM 181 N LYS A 378 -5.706 -2.926 -12.405 1.00 15.00 N ATOM 182 CA LYS A 378 -6.302 -1.726 -12.973 1.00 15.00 C ATOM 183 C LYS A 378 -5.232 -0.669 -13.244 1.00 15.00 C ATOM 184 O LYS A 378 -5.538 0.448 -13.658 1.00 15.00 O ATOM 185 CB LYS A 378 -7.388 -1.178 -12.046 1.00 15.00 C ATOM 186 CG LYS A 378 -6.888 -0.723 -10.683 1.00 15.00 C ATOM 187 CD LYS A 378 -8.054 -0.327 -9.793 1.00 15.00 C ATOM 188 CE LYS A 378 -7.597 0.350 -8.510 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.439 1.539 -8.210 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.774 -2.992 -11.389 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.766 -1.988 -13.924 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.877 -0.337 -12.538 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.146 -1.948 -11.902 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.319 -1.524 -10.212 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.210 0.122 -10.801 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.714 0.345 -10.341 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.637 -1.214 -9.545 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.650 -0.357 -7.682 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.554 0.652 -8.605 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.164 1.935 -7.288 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.302 2.257 -8.950 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.440 1.257 -8.181 1.00 15.00 H new ATOM 203 N GLY A 379 -3.974 -1.038 -13.015 1.00 15.00 N ATOM 204 CA GLY A 379 -2.864 -0.161 -13.341 1.00 15.00 C ATOM 205 C GLY A 379 -2.483 0.754 -12.198 1.00 15.00 C ATOM 206 O GLY A 379 -2.022 1.873 -12.419 1.00 15.00 O ATOM 0 H GLY A 379 -3.704 -1.933 -12.608 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.000 -0.764 -13.620 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.127 0.442 -14.211 1.00 15.00 H new ATOM 210 N ARG A 380 -2.668 0.277 -10.974 1.00 15.00 N ATOM 211 CA ARG A 380 -2.345 1.055 -9.783 1.00 15.00 C ATOM 212 C ARG A 380 -1.909 0.141 -8.632 1.00 15.00 C ATOM 213 O ARG A 380 -2.686 -0.687 -8.154 1.00 15.00 O ATOM 214 CB ARG A 380 -3.543 1.933 -9.375 1.00 15.00 C ATOM 215 CG ARG A 380 -3.541 3.323 -10.013 1.00 15.00 C ATOM 216 CD ARG A 380 -4.911 4.008 -9.948 1.00 15.00 C ATOM 217 NE ARG A 380 -5.811 3.541 -11.010 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.592 3.699 -12.325 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.503 4.312 -12.769 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.476 3.241 -13.202 1.00 15.00 N ATOM 0 H ARG A 380 -3.043 -0.651 -10.778 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.507 1.711 -10.017 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.466 1.421 -9.648 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.548 2.042 -8.290 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.803 3.948 -9.510 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.231 3.239 -11.055 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.366 3.816 -8.977 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.781 5.087 -10.031 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.666 3.061 -10.728 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.815 4.672 -12.108 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.353 4.423 -13.772 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.320 2.770 -12.877 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.311 3.360 -14.202 1.00 15.00 H new ATOM 234 N THR A 381 -0.654 0.278 -8.210 1.00 15.00 N ATOM 235 CA THR A 381 -0.102 -0.523 -7.125 1.00 15.00 C ATOM 236 C THR A 381 -0.146 0.264 -5.819 1.00 15.00 C ATOM 237 O THR A 381 0.218 1.440 -5.805 1.00 15.00 O ATOM 238 CB THR A 381 1.359 -0.903 -7.434 1.00 15.00 C ATOM 239 OG1 THR A 381 2.126 0.284 -7.687 1.00 15.00 O ATOM 240 CG2 THR A 381 1.442 -1.812 -8.649 1.00 15.00 C ATOM 0 H THR A 381 0.005 0.946 -8.610 1.00 15.00 H new ATOM 0 HA THR A 381 -0.700 -1.429 -7.027 1.00 15.00 H new ATOM 0 HB THR A 381 1.760 -1.433 -6.570 1.00 15.00 H new ATOM 0 HG1 THR A 381 1.841 0.994 -7.075 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.484 -2.064 -8.844 1.00 15.00 H new ATOM 0 HG22 THR A 381 0.877 -2.725 -8.460 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.024 -1.300 -9.516 1.00 15.00 H new ATOM 248 N TYR A 382 -0.566 -0.370 -4.724 1.00 15.00 N ATOM 249 CA TYR A 382 -0.749 0.366 -3.479 1.00 15.00 C ATOM 250 C TYR A 382 -0.357 -0.473 -2.262 1.00 15.00 C ATOM 251 O TYR A 382 -0.446 -1.702 -2.282 1.00 15.00 O ATOM 252 CB TYR A 382 -2.195 0.856 -3.351 1.00 15.00 C ATOM 253 CG TYR A 382 -3.157 -0.083 -2.658 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.439 -1.358 -3.134 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.790 0.336 -1.504 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.324 -2.184 -2.465 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.671 -0.474 -0.835 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.938 -1.735 -1.313 1.00 15.00 C ATOM 259 OH TYR A 382 -5.820 -2.547 -0.639 1.00 15.00 O ATOM 0 H TYR A 382 -0.780 -1.366 -4.675 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.086 1.231 -3.509 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.190 1.802 -2.810 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.577 1.062 -4.351 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -2.961 -1.708 -4.037 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.586 1.325 -1.120 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.533 -3.174 -2.842 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.154 -0.122 0.065 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.327 -3.115 -0.010 1.00 15.00 H new ATOM 269 N TYR A 383 0.099 0.208 -1.218 1.00 15.00 N ATOM 270 CA TYR A 383 0.490 -0.444 0.025 1.00 15.00 C ATOM 271 C TYR A 383 -0.410 0.026 1.176 1.00 15.00 C ATOM 272 O TYR A 383 -0.791 1.198 1.236 1.00 15.00 O ATOM 273 CB TYR A 383 1.946 -0.114 0.352 1.00 15.00 C ATOM 274 CG TYR A 383 2.930 -0.385 -0.764 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.308 -1.680 -1.093 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.499 0.663 -1.471 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.224 -1.920 -2.099 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.418 0.432 -2.474 1.00 15.00 C ATOM 279 CZ TYR A 383 4.779 -0.862 -2.784 1.00 15.00 C ATOM 280 OH TYR A 383 5.703 -1.098 -3.778 1.00 15.00 O ATOM 0 H TYR A 383 0.208 1.222 -1.209 1.00 15.00 H new ATOM 0 HA TYR A 383 0.381 -1.522 -0.098 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.011 0.939 0.626 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.245 -0.690 1.228 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.879 -2.512 -0.554 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.218 1.678 -1.233 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.504 -2.933 -2.347 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.852 1.261 -3.014 1.00 15.00 H new ATOM 0 HH TYR A 383 5.995 -0.245 -4.162 1.00 15.00 H new ATOM 290 N VAL A 384 -0.723 -0.876 2.104 1.00 15.00 N ATOM 291 CA VAL A 384 -1.582 -0.543 3.243 1.00 15.00 C ATOM 292 C VAL A 384 -0.838 -0.620 4.568 1.00 15.00 C ATOM 293 O VAL A 384 -0.392 -1.689 4.957 1.00 15.00 O ATOM 294 CB VAL A 384 -2.791 -1.485 3.341 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.043 -0.759 2.943 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.597 -2.716 2.483 1.00 15.00 C ATOM 0 H VAL A 384 -0.396 -1.842 2.092 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.913 0.480 3.063 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.885 -1.812 4.376 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.895 -1.435 3.016 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.197 0.091 3.607 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -3.948 -0.405 1.917 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.469 -3.364 2.573 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.472 -2.418 1.442 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.709 -3.255 2.815 1.00 15.00 H new ATOM 306 N ASN A 385 -0.759 0.489 5.293 1.00 15.00 N ATOM 307 CA ASN A 385 0.002 0.528 6.538 1.00 15.00 C ATOM 308 C ASN A 385 -0.900 0.303 7.755 1.00 15.00 C ATOM 309 O ASN A 385 -1.823 1.077 7.970 1.00 15.00 O ATOM 310 CB ASN A 385 0.675 1.884 6.709 1.00 15.00 C ATOM 311 CG ASN A 385 1.521 1.937 7.967 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.685 2.985 8.570 1.00 15.00 O ATOM 313 ND2 ASN A 385 2.064 0.796 8.369 1.00 15.00 N ATOM 0 H ASN A 385 -1.209 1.369 5.043 1.00 15.00 H new ATOM 0 HA ASN A 385 0.745 -0.268 6.478 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.301 2.092 5.841 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.085 2.665 6.748 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.642 0.774 9.209 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.904 -0.060 7.838 1.00 15.00 H new ATOM 320 N HIS A 386 -0.612 -0.713 8.578 1.00 15.00 N ATOM 321 CA HIS A 386 -1.453 -1.014 9.748 1.00 15.00 C ATOM 322 C HIS A 386 -1.020 -0.165 10.915 1.00 15.00 C ATOM 323 O HIS A 386 -1.706 -0.048 11.927 1.00 15.00 O ATOM 324 CB HIS A 386 -1.392 -2.502 10.141 1.00 15.00 C ATOM 325 CG HIS A 386 -1.147 -3.379 8.970 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.484 -2.965 7.716 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.430 -4.510 8.815 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.972 -3.761 6.841 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.331 -4.729 7.468 1.00 15.00 N ATOM 0 H HIS A 386 0.187 -1.336 8.460 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.484 -0.787 9.478 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.601 -2.650 10.876 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.329 -2.789 10.619 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.015 -5.124 9.601 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.054 -3.653 5.770 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.155 -5.508 7.024 1.00 15.00 H new ATOM 338 N ASN A 387 0.150 0.397 10.749 1.00 15.00 N ATOM 339 CA ASN A 387 0.823 1.146 11.772 1.00 15.00 C ATOM 340 C ASN A 387 0.236 2.556 11.871 1.00 15.00 C ATOM 341 O ASN A 387 0.019 3.070 12.962 1.00 15.00 O ATOM 342 CB ASN A 387 2.302 1.161 11.386 1.00 15.00 C ATOM 343 CG ASN A 387 3.247 1.741 12.436 1.00 15.00 C ATOM 344 OD1 ASN A 387 2.777 2.666 13.260 1.00 15.00 O flip ATOM 345 ND2 ASN A 387 4.408 1.349 12.500 1.00 15.00 N flip ATOM 0 H ASN A 387 0.672 0.343 9.874 1.00 15.00 H new ATOM 0 HA ASN A 387 0.697 0.698 12.758 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.613 0.140 11.166 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.414 1.733 10.465 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.742 0.635 11.852 1.00 15.00 H new ATOM 0 HD22 ASN A 387 5.039 1.737 13.201 1.00 15.00 H new ATOM 352 N ASN A 388 -0.002 3.179 10.723 1.00 15.00 N ATOM 353 CA ASN A 388 -0.591 4.515 10.678 1.00 15.00 C ATOM 354 C ASN A 388 -2.056 4.453 10.261 1.00 15.00 C ATOM 355 O ASN A 388 -2.784 5.437 10.392 1.00 15.00 O ATOM 356 CB ASN A 388 0.189 5.438 9.731 1.00 15.00 C ATOM 357 CG ASN A 388 1.588 5.756 10.236 1.00 15.00 C ATOM 358 OD1 ASN A 388 1.844 5.756 11.442 1.00 15.00 O ATOM 359 ND2 ASN A 388 2.504 6.046 9.320 1.00 15.00 N ATOM 0 H ASN A 388 0.204 2.780 9.807 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.533 4.930 11.684 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.260 4.968 8.750 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.365 6.368 9.600 1.00 15.00 H new ATOM 0 HD21 ASN A 388 3.455 6.279 9.606 1.00 15.00 H new ATOM 0 HD22 ASN A 388 2.257 6.036 8.330 1.00 15.00 H new ATOM 366 N ARG A 389 -2.470 3.296 9.728 1.00 15.00 N ATOM 367 CA ARG A 389 -3.837 3.097 9.236 1.00 15.00 C ATOM 368 C ARG A 389 -4.036 3.847 7.926 1.00 15.00 C ATOM 369 O ARG A 389 -4.688 4.889 7.886 1.00 15.00 O ATOM 370 CB ARG A 389 -4.910 3.510 10.264 1.00 15.00 C ATOM 371 CG ARG A 389 -5.042 2.573 11.463 1.00 15.00 C ATOM 372 CD ARG A 389 -3.815 2.609 12.361 1.00 15.00 C ATOM 373 NE ARG A 389 -3.948 1.713 13.511 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.303 1.871 14.667 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.479 2.893 14.857 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.485 0.998 15.645 1.00 15.00 N ATOM 0 H ARG A 389 -1.870 2.477 9.627 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.963 2.028 9.067 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.679 4.511 10.627 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.874 3.569 9.759 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.922 2.850 12.043 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.201 1.554 11.110 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -2.935 2.328 11.783 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.653 3.628 12.713 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.576 0.914 13.422 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.331 3.574 14.112 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.994 2.998 15.748 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -4.117 0.208 15.513 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -2.994 1.115 16.531 1.00 15.00 H new ATOM 390 N THR A 390 -3.401 3.364 6.864 1.00 15.00 N ATOM 391 CA THR A 390 -3.371 4.109 5.615 1.00 15.00 C ATOM 392 C THR A 390 -3.375 3.197 4.370 1.00 15.00 C ATOM 393 O THR A 390 -2.890 2.072 4.423 1.00 15.00 O ATOM 394 CB THR A 390 -2.116 5.022 5.607 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.324 6.144 6.476 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.727 5.505 4.211 1.00 15.00 C ATOM 0 H THR A 390 -2.907 2.472 6.843 1.00 15.00 H new ATOM 0 HA THR A 390 -4.281 4.706 5.561 1.00 15.00 H new ATOM 0 HB THR A 390 -1.285 4.415 5.967 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.528 6.716 6.468 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.842 6.138 4.278 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.511 4.646 3.576 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.550 6.076 3.781 1.00 15.00 H new ATOM 404 N THR A 391 -3.951 3.695 3.265 1.00 15.00 N ATOM 405 CA THR A 391 -3.896 3.045 1.966 1.00 15.00 C ATOM 406 C THR A 391 -3.335 4.052 0.953 1.00 15.00 C ATOM 407 O THR A 391 -3.894 5.139 0.800 1.00 15.00 O ATOM 408 CB THR A 391 -5.306 2.585 1.542 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.333 2.290 0.151 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.350 3.645 1.865 1.00 15.00 C ATOM 0 H THR A 391 -4.472 4.572 3.259 1.00 15.00 H new ATOM 0 HA THR A 391 -3.255 2.165 2.011 1.00 15.00 H new ATOM 0 HB THR A 391 -5.546 1.683 2.105 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.859 1.448 -0.014 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.334 3.293 1.555 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.354 3.836 2.938 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.110 4.566 1.333 1.00 15.00 H new ATOM 418 N THR A 392 -2.220 3.737 0.292 1.00 15.00 N ATOM 419 CA THR A 392 -1.516 4.763 -0.460 1.00 15.00 C ATOM 420 C THR A 392 -0.763 4.226 -1.678 1.00 15.00 C ATOM 421 O THR A 392 -0.329 3.071 -1.702 1.00 15.00 O ATOM 422 CB THR A 392 -0.545 5.505 0.467 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.053 6.686 -0.174 1.00 15.00 O ATOM 424 CG2 THR A 392 0.625 4.622 0.876 1.00 15.00 C ATOM 0 H THR A 392 -1.799 2.808 0.264 1.00 15.00 H new ATOM 0 HA THR A 392 -2.276 5.442 -0.846 1.00 15.00 H new ATOM 0 HB THR A 392 -1.096 5.779 1.367 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.925 6.709 -0.111 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.291 5.182 1.532 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.251 3.744 1.402 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.172 4.307 -0.013 1.00 15.00 H new ATOM 432 N TRP A 393 -0.640 5.083 -2.699 1.00 15.00 N ATOM 433 CA TRP A 393 0.158 4.773 -3.883 1.00 15.00 C ATOM 434 C TRP A 393 1.649 4.911 -3.586 1.00 15.00 C ATOM 435 O TRP A 393 2.484 4.285 -4.241 1.00 15.00 O ATOM 436 CB TRP A 393 -0.147 5.730 -5.053 1.00 15.00 C ATOM 437 CG TRP A 393 -1.556 5.747 -5.576 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.258 6.853 -5.976 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.422 4.628 -5.793 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.502 6.487 -6.421 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.626 5.128 -6.321 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.300 3.257 -5.592 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.690 4.299 -6.652 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.361 2.436 -5.919 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.541 2.958 -6.445 1.00 15.00 C ATOM 0 H TRP A 393 -1.087 6.000 -2.725 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.100 3.750 -4.156 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.109 6.742 -4.738 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.517 5.476 -5.879 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.886 7.866 -5.945 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.218 7.124 -6.770 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.390 2.841 -5.186 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.605 4.702 -7.060 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.275 1.371 -5.764 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.352 2.290 -6.693 1.00 15.00 H new ATOM 456 N THR A 394 1.978 5.777 -2.634 1.00 15.00 N ATOM 457 CA THR A 394 3.360 6.164 -2.403 1.00 15.00 C ATOM 458 C THR A 394 4.151 5.074 -1.691 1.00 15.00 C ATOM 459 O THR A 394 3.598 4.293 -0.916 1.00 15.00 O ATOM 460 CB THR A 394 3.446 7.477 -1.599 1.00 15.00 C ATOM 461 OG1 THR A 394 2.643 7.388 -0.419 1.00 15.00 O ATOM 462 CG2 THR A 394 2.984 8.656 -2.443 1.00 15.00 C ATOM 0 H THR A 394 1.305 6.223 -2.011 1.00 15.00 H new ATOM 0 HA THR A 394 3.805 6.318 -3.386 1.00 15.00 H new ATOM 0 HB THR A 394 4.487 7.634 -1.315 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.707 8.227 0.084 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.053 9.572 -1.857 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.617 8.742 -3.326 1.00 15.00 H new ATOM 0 HG23 THR A 394 1.950 8.500 -2.752 1.00 15.00 H new ATOM 470 N ARG A 395 5.448 5.032 -1.973 1.00 15.00 N ATOM 471 CA ARG A 395 6.334 4.061 -1.356 1.00 15.00 C ATOM 472 C ARG A 395 6.527 4.378 0.116 1.00 15.00 C ATOM 473 O ARG A 395 6.737 5.531 0.495 1.00 15.00 O ATOM 474 CB ARG A 395 7.687 4.028 -2.070 1.00 15.00 C ATOM 475 CG ARG A 395 7.652 3.286 -3.392 1.00 15.00 C ATOM 476 CD ARG A 395 8.747 2.235 -3.460 1.00 15.00 C ATOM 477 NE ARG A 395 10.084 2.828 -3.456 1.00 15.00 N ATOM 478 CZ ARG A 395 11.216 2.121 -3.485 1.00 15.00 C ATOM 479 NH1 ARG A 395 11.177 0.793 -3.507 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 12.386 2.748 -3.490 1.00 15.00 N ATOM 0 H ARG A 395 5.908 5.664 -2.629 1.00 15.00 H new ATOM 0 HA ARG A 395 5.873 3.077 -1.446 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.023 5.050 -2.244 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.423 3.558 -1.417 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.679 2.811 -3.520 1.00 15.00 H new ATOM 0 HG3 ARG A 395 7.771 3.993 -4.213 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.650 1.557 -2.612 1.00 15.00 H new ATOM 0 HD3 ARG A 395 8.619 1.638 -4.363 1.00 15.00 H new ATOM 0 HE ARG A 395 10.156 3.845 -3.429 1.00 15.00 H new ATOM 0 HH11 ARG A 395 10.279 0.309 -3.502 1.00 15.00 H new ATOM 0 HH12 ARG A 395 12.045 0.258 -3.529 1.00 15.00 H new ATOM 0 HH21 ARG A 395 12.418 3.767 -3.472 1.00 15.00 H new ATOM 0 HH22 ARG A 395 13.253 2.210 -3.512 1.00 15.00 H new ATOM 494 N PRO A 396 6.489 3.343 0.956 1.00 15.00 N ATOM 495 CA PRO A 396 6.594 3.495 2.404 1.00 15.00 C ATOM 496 C PRO A 396 7.987 3.921 2.851 1.00 15.00 C ATOM 497 O PRO A 396 8.983 3.266 2.542 1.00 15.00 O ATOM 498 CB PRO A 396 6.288 2.090 2.934 1.00 15.00 C ATOM 499 CG PRO A 396 5.666 1.363 1.791 1.00 15.00 C ATOM 500 CD PRO A 396 6.297 1.942 0.566 1.00 15.00 C ATOM 0 HA PRO A 396 5.922 4.270 2.773 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.197 1.590 3.270 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.612 2.131 3.788 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.851 0.291 1.859 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.585 1.500 1.779 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.240 1.453 0.323 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.654 1.846 -0.309 1.00 15.00 H new ATOM 616 N PRO B 180 -8.377 6.002 -7.452 1.00 15.00 N ATOM 617 CA PRO B 180 -7.723 5.643 -6.195 1.00 15.00 C ATOM 618 C PRO B 180 -7.759 4.273 -5.578 1.00 15.00 C ATOM 619 O PRO B 180 -8.437 3.327 -5.994 1.00 15.00 O ATOM 620 CB PRO B 180 -8.430 6.595 -5.253 1.00 15.00 C ATOM 621 CG PRO B 180 -8.090 7.753 -6.006 1.00 15.00 C ATOM 622 CD PRO B 180 -8.755 7.429 -7.329 1.00 15.00 C ATOM 0 HA PRO B 180 -6.652 5.686 -6.392 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.503 6.420 -5.171 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -8.029 6.593 -4.240 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.480 8.667 -5.559 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -7.012 7.881 -6.105 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.835 7.575 -7.302 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.372 8.036 -8.150 1.00 15.00 H new ATOM 630 N PRO B 181 -6.924 4.240 -4.518 1.00 15.00 N ATOM 631 CA PRO B 181 -6.624 3.076 -3.694 1.00 15.00 C ATOM 632 C PRO B 181 -7.850 2.365 -3.133 1.00 15.00 C ATOM 633 O PRO B 181 -8.860 2.983 -2.792 1.00 15.00 O ATOM 634 CB PRO B 181 -5.808 3.671 -2.533 1.00 15.00 C ATOM 635 CG PRO B 181 -5.993 5.152 -2.617 1.00 15.00 C ATOM 636 CD PRO B 181 -6.198 5.446 -4.030 1.00 15.00 C ATOM 0 HA PRO B 181 -6.115 2.314 -4.285 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.157 3.288 -1.574 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.755 3.404 -2.619 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.848 5.474 -2.022 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.120 5.678 -2.231 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.782 6.355 -4.173 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.253 5.589 -4.554 1.00 15.00 H new ATOM 644 N PRO B 182 -7.738 1.040 -3.031 1.00 15.00 N ATOM 645 CA PRO B 182 -8.672 0.195 -2.279 1.00 15.00 C ATOM 646 C PRO B 182 -8.511 0.439 -0.779 1.00 15.00 C ATOM 647 O PRO B 182 -7.426 0.810 -0.334 1.00 15.00 O ATOM 648 CB PRO B 182 -8.243 -1.239 -2.639 1.00 15.00 C ATOM 649 CG PRO B 182 -7.300 -1.106 -3.792 1.00 15.00 C ATOM 650 CD PRO B 182 -6.685 0.250 -3.672 1.00 15.00 C ATOM 0 HA PRO B 182 -9.716 0.395 -2.519 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.759 -1.726 -1.793 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.105 -1.849 -2.908 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.537 -1.884 -3.763 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.827 -1.212 -4.740 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.776 0.228 -3.071 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.413 0.656 -4.646 1.00 15.00 H new ATOM 658 N GLY B 183 -9.591 0.263 -0.020 1.00 15.00 N ATOM 659 CA GLY B 183 -9.584 0.547 1.415 1.00 15.00 C ATOM 660 C GLY B 183 -8.408 -0.064 2.179 1.00 15.00 C ATOM 661 O GLY B 183 -7.690 -0.924 1.674 1.00 15.00 O ATOM 0 H GLY B 183 -10.485 -0.076 -0.376 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.571 1.627 1.558 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.513 0.179 1.850 1.00 15.00 H new ATOM 665 N TYR B 184 -8.266 0.330 3.439 1.00 15.00 N ATOM 666 CA TYR B 184 -7.089 -0.010 4.226 1.00 15.00 C ATOM 667 C TYR B 184 -7.240 -1.347 4.987 1.00 15.00 C ATOM 668 O TYR B 184 -8.230 -1.561 5.689 1.00 15.00 O ATOM 669 CB TYR B 184 -6.750 1.159 5.178 1.00 15.00 C ATOM 670 CG TYR B 184 -6.106 0.736 6.475 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.843 0.171 6.515 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.797 0.891 7.672 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.286 -0.225 7.712 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.247 0.498 8.869 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.991 -0.057 8.885 1.00 15.00 C ATOM 676 OH TYR B 184 -4.434 -0.449 10.080 1.00 15.00 O ATOM 0 H TYR B 184 -8.957 0.889 3.939 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.257 -0.162 3.538 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.083 1.850 4.663 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.665 1.707 5.402 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.288 0.039 5.598 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.784 1.328 7.661 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.300 -0.666 7.731 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.798 0.625 9.789 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.144 -0.719 10.699 1.00 15.00 H new ATOM 686 N LEU B 185 -6.221 -2.233 4.838 1.00 15.00 N ATOM 687 CA LEU B 185 -6.219 -3.583 5.416 1.00 15.00 C ATOM 688 C LEU B 185 -7.266 -4.480 4.816 1.00 15.00 C ATOM 689 O LEU B 185 -7.531 -5.572 5.320 1.00 15.00 O ATOM 690 CB LEU B 185 -6.302 -3.575 6.932 1.00 15.00 C ATOM 691 CG LEU B 185 -4.955 -3.550 7.610 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.111 -3.431 9.116 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.173 -4.806 7.257 1.00 15.00 C ATOM 0 H LEU B 185 -5.376 -2.019 4.308 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.250 -4.006 5.151 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.877 -2.706 7.252 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.849 -4.458 7.262 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.405 -2.678 7.256 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -4.127 -3.415 9.584 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.641 -2.509 9.355 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.677 -4.283 9.492 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.201 -4.780 7.750 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.726 -5.684 7.590 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.030 -4.854 6.177 1.00 15.00 H new ATOM 705 N SER B 186 -7.821 -4.044 3.719 1.00 15.00 N ATOM 706 CA SER B 186 -8.555 -4.934 2.878 1.00 15.00 C ATOM 707 C SER B 186 -7.590 -5.438 1.818 1.00 15.00 C ATOM 708 O SER B 186 -7.290 -4.743 0.850 1.00 15.00 O ATOM 709 CB SER B 186 -9.734 -4.197 2.260 1.00 15.00 C ATOM 710 OG SER B 186 -10.380 -4.976 1.266 1.00 15.00 O ATOM 0 H SER B 186 -7.777 -3.079 3.391 1.00 15.00 H new ATOM 0 HA SER B 186 -8.962 -5.777 3.437 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.450 -3.937 3.040 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.388 -3.261 1.821 1.00 15.00 H new ATOM 0 HG SER B 186 -11.133 -4.471 0.893 1.00 15.00 H new ATOM 716 N GLU B 187 -7.075 -6.637 2.032 1.00 15.00 N ATOM 717 CA GLU B 187 -6.063 -7.193 1.154 1.00 15.00 C ATOM 718 C GLU B 187 -6.495 -8.570 0.685 1.00 15.00 C ATOM 719 O GLU B 187 -6.460 -9.544 1.440 1.00 15.00 O ATOM 720 CB GLU B 187 -4.682 -7.230 1.850 1.00 15.00 C ATOM 721 CG GLU B 187 -4.085 -5.857 2.072 1.00 15.00 C ATOM 722 CD GLU B 187 -3.662 -5.203 0.782 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.519 -4.595 0.117 1.00 15.00 O ATOM 724 OE2 GLU B 187 -2.474 -5.297 0.435 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.342 -7.244 2.807 1.00 15.00 H new ATOM 0 HA GLU B 187 -5.958 -6.551 0.280 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.781 -7.735 2.811 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.995 -7.824 1.247 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -4.814 -5.223 2.576 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.223 -5.940 2.734 1.00 15.00 H new