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 161:sc= 1.21 USER MOD Set 1.2: A 394 THR OG1 : rot 66:sc= 0.536 USER MOD Set 2.1: A 385 ASN :FLIP amide:sc= -6.64! C(o=-6.2!,f=-4!) USER MOD Set 2.2: A 388 ASN : amide:sc= 1.73 K(o=-4,f=-6.8!) USER MOD Set 2.3: A 390 THR OG1 : rot 18:sc= 0.9 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+ 152:sc= -0.885 (180deg=-2.42!) USER MOD Single : A 381 THR OG1 : rot 34:sc= 0.736 USER MOD Single : A 382 TYR OH : rot 68:sc= 1.78 USER MOD Single : A 383 TYR OH : rot 130:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-11!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 391 THR OG1 : rot 78:sc=-0.00416 USER MOD Single : B 184 TYR OH : rot 180:sc= -0.709 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.281 -2.934 3.269 1.00 15.00 N ATOM 28 CA PRO A 368 8.589 -2.754 4.673 1.00 15.00 C ATOM 29 C PRO A 368 7.659 -3.577 5.547 1.00 15.00 C ATOM 30 O PRO A 368 6.470 -3.737 5.260 1.00 15.00 O ATOM 31 CB PRO A 368 8.316 -1.272 4.889 1.00 15.00 C ATOM 32 CG PRO A 368 7.163 -1.010 3.996 1.00 15.00 C ATOM 33 CD PRO A 368 7.404 -1.861 2.779 1.00 15.00 C ATOM 0 HA PRO A 368 9.603 -3.064 4.927 1.00 15.00 H new ATOM 0 HB2 PRO A 368 8.078 -1.053 5.930 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.178 -0.660 4.624 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.222 -1.273 4.480 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.101 0.046 3.732 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.472 -2.258 2.378 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.878 -1.291 1.980 1.00 15.00 H new ATOM 41 N SER A 369 8.214 -4.066 6.621 1.00 15.00 N ATOM 42 CA SER A 369 7.511 -4.966 7.520 1.00 15.00 C ATOM 43 C SER A 369 6.403 -4.227 8.278 1.00 15.00 C ATOM 44 O SER A 369 6.685 -3.329 9.077 1.00 15.00 O ATOM 45 CB SER A 369 8.505 -5.575 8.509 1.00 15.00 C ATOM 46 OG SER A 369 9.603 -6.163 7.825 1.00 15.00 O ATOM 0 H SER A 369 9.170 -3.856 6.907 1.00 15.00 H new ATOM 0 HA SER A 369 7.048 -5.758 6.931 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.866 -4.804 9.190 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.004 -6.328 9.117 1.00 15.00 H new ATOM 0 HG SER A 369 10.228 -6.545 8.476 1.00 15.00 H new ATOM 52 N GLY A 370 5.146 -4.568 8.003 1.00 15.00 N ATOM 53 CA GLY A 370 4.054 -3.980 8.745 1.00 15.00 C ATOM 54 C GLY A 370 2.892 -3.611 7.855 1.00 15.00 C ATOM 55 O GLY A 370 1.796 -3.336 8.338 1.00 15.00 O ATOM 0 H GLY A 370 4.870 -5.237 7.284 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.716 -4.681 9.508 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.408 -3.090 9.265 1.00 15.00 H new ATOM 59 N TRP A 371 3.144 -3.523 6.559 1.00 15.00 N ATOM 60 CA TRP A 371 2.101 -3.308 5.595 1.00 15.00 C ATOM 61 C TRP A 371 1.848 -4.570 4.793 1.00 15.00 C ATOM 62 O TRP A 371 2.687 -5.472 4.763 1.00 15.00 O ATOM 63 CB TRP A 371 2.533 -2.224 4.628 1.00 15.00 C ATOM 64 CG TRP A 371 3.088 -0.980 5.257 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.715 -0.836 6.454 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.058 0.301 4.676 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.077 0.467 6.638 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.677 1.196 5.553 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.552 0.753 3.491 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.801 2.553 5.265 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.659 2.100 3.184 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.281 2.990 4.074 1.00 15.00 C ATOM 0 H TRP A 371 4.078 -3.600 6.156 1.00 15.00 H new ATOM 0 HA TRP A 371 1.194 -3.022 6.128 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.286 -2.638 3.958 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.677 -1.948 4.013 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.900 -1.635 7.157 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.567 0.837 7.453 1.00 15.00 H new ATOM 0 HE3 TRP A 371 2.075 0.071 2.803 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.286 3.232 5.951 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.260 2.469 2.251 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.351 4.036 3.816 1.00 15.00 H new ATOM 83 N GLU A 372 0.709 -4.628 4.118 1.00 15.00 N ATOM 84 CA GLU A 372 0.509 -5.661 3.124 1.00 15.00 C ATOM 85 C GLU A 372 0.587 -5.012 1.748 1.00 15.00 C ATOM 86 O GLU A 372 0.260 -3.831 1.603 1.00 15.00 O ATOM 87 CB GLU A 372 -0.821 -6.430 3.302 1.00 15.00 C ATOM 88 CG GLU A 372 -1.163 -6.773 4.743 1.00 15.00 C ATOM 89 CD GLU A 372 -0.031 -7.466 5.473 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.373 -8.572 5.054 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.451 -6.911 6.483 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.073 -3.985 4.239 1.00 15.00 H new ATOM 0 HA GLU A 372 1.291 -6.411 3.242 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.630 -5.833 2.882 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -0.773 -7.353 2.724 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.425 -5.859 5.276 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.044 -7.415 4.758 1.00 15.00 H new ATOM 98 N GLU A 373 1.045 -5.755 0.751 1.00 15.00 N ATOM 99 CA GLU A 373 1.209 -5.191 -0.580 1.00 15.00 C ATOM 100 C GLU A 373 0.232 -5.782 -1.576 1.00 15.00 C ATOM 101 O GLU A 373 -0.132 -6.959 -1.498 1.00 15.00 O ATOM 102 CB GLU A 373 2.625 -5.398 -1.101 1.00 15.00 C ATOM 103 CG GLU A 373 3.160 -6.809 -0.927 1.00 15.00 C ATOM 104 CD GLU A 373 4.426 -7.050 -1.724 1.00 15.00 C ATOM 105 OE1 GLU A 373 4.347 -7.128 -2.968 1.00 15.00 O ATOM 106 OE2 GLU A 373 5.507 -7.172 -1.113 1.00 15.00 O1- ATOM 0 H GLU A 373 1.307 -6.737 0.836 1.00 15.00 H new ATOM 0 HA GLU A 373 1.008 -4.124 -0.481 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.650 -5.141 -2.160 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.292 -4.704 -0.589 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.359 -6.991 0.129 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.398 -7.524 -1.236 1.00 15.00 H new ATOM 113 N ARG A 374 -0.130 -4.968 -2.555 1.00 15.00 N ATOM 114 CA ARG A 374 -1.017 -5.398 -3.622 1.00 15.00 C ATOM 115 C ARG A 374 -0.699 -4.690 -4.930 1.00 15.00 C ATOM 116 O ARG A 374 -0.714 -3.459 -5.013 1.00 15.00 O ATOM 117 CB ARG A 374 -2.489 -5.164 -3.270 1.00 15.00 C ATOM 118 CG ARG A 374 -3.122 -6.318 -2.518 1.00 15.00 C ATOM 119 CD ARG A 374 -4.606 -6.431 -2.818 1.00 15.00 C ATOM 120 NE ARG A 374 -5.392 -5.431 -2.111 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.600 -5.027 -2.492 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.130 -5.484 -3.622 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.270 -4.154 -1.754 1.00 15.00 N ATOM 0 H ARG A 374 0.180 -3.999 -2.632 1.00 15.00 H new ATOM 0 HA ARG A 374 -0.851 -6.468 -3.744 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.571 -4.260 -2.667 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.050 -4.987 -4.188 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.623 -7.248 -2.790 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.976 -6.179 -1.447 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.766 -6.324 -3.891 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.955 -7.426 -2.542 1.00 15.00 H new ATOM 0 HE ARG A 374 -4.991 -5.014 -1.271 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.610 -6.146 -4.198 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.057 -5.173 -3.913 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.859 -3.792 -0.894 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.197 -3.844 -2.046 1.00 15.00 H new ATOM 137 N LYS A 375 -0.399 -5.476 -5.946 1.00 15.00 N ATOM 138 CA LYS A 375 -0.319 -4.983 -7.302 1.00 15.00 C ATOM 139 C LYS A 375 -1.619 -5.377 -8.003 1.00 15.00 C ATOM 140 O LYS A 375 -1.805 -6.534 -8.379 1.00 15.00 O ATOM 141 CB LYS A 375 0.925 -5.567 -7.993 1.00 15.00 C ATOM 142 CG LYS A 375 1.131 -5.134 -9.441 1.00 15.00 C ATOM 143 CD LYS A 375 0.471 -6.100 -10.415 1.00 15.00 C ATOM 144 CE LYS A 375 0.884 -5.826 -11.849 1.00 15.00 C ATOM 145 NZ LYS A 375 0.287 -6.810 -12.790 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.205 -6.473 -5.852 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.211 -3.899 -7.336 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.806 -5.284 -7.418 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.860 -6.655 -7.962 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.720 -4.135 -9.584 1.00 15.00 H new ATOM 0 HG3 LYS A 375 2.198 -5.073 -9.655 1.00 15.00 H new ATOM 0 HD2 LYS A 375 0.738 -7.123 -10.149 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -0.613 -6.020 -10.327 1.00 15.00 H new ATOM 0 HE2 LYS A 375 0.575 -4.819 -12.131 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.971 -5.860 -11.928 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 0.591 -6.591 -13.760 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 0.602 -7.768 -12.536 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -0.750 -6.760 -12.733 1.00 15.00 H new ATOM 159 N ASP A 376 -2.551 -4.435 -8.102 1.00 15.00 N ATOM 160 CA ASP A 376 -3.906 -4.761 -8.523 1.00 15.00 C ATOM 161 C ASP A 376 -4.104 -4.468 -10.008 1.00 15.00 C ATOM 162 O ASP A 376 -3.555 -3.493 -10.542 1.00 15.00 O ATOM 163 CB ASP A 376 -4.920 -3.977 -7.681 1.00 15.00 C ATOM 164 CG ASP A 376 -6.328 -4.534 -7.795 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.975 -4.313 -8.835 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -6.793 -5.204 -6.841 1.00 15.00 O ATOM 0 H ASP A 376 -2.394 -3.448 -7.898 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.067 -5.828 -8.368 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.610 -3.994 -6.636 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.919 -2.934 -7.996 1.00 15.00 H new ATOM 171 N ALA A 377 -4.943 -5.284 -10.648 1.00 15.00 N ATOM 172 CA ALA A 377 -5.157 -5.225 -12.090 1.00 15.00 C ATOM 173 C ALA A 377 -5.931 -3.976 -12.507 1.00 15.00 C ATOM 174 O ALA A 377 -6.200 -3.772 -13.690 1.00 15.00 O ATOM 175 CB ALA A 377 -5.885 -6.476 -12.560 1.00 15.00 C ATOM 0 H ALA A 377 -5.492 -6.004 -10.179 1.00 15.00 H new ATOM 0 HA ALA A 377 -4.177 -5.173 -12.565 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -6.040 -6.423 -13.638 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -5.287 -7.356 -12.322 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.850 -6.546 -12.057 1.00 15.00 H new ATOM 181 N LYS A 378 -6.290 -3.144 -11.535 1.00 15.00 N ATOM 182 CA LYS A 378 -6.903 -1.854 -11.825 1.00 15.00 C ATOM 183 C LYS A 378 -5.867 -0.888 -12.405 1.00 15.00 C ATOM 184 O LYS A 378 -6.195 0.229 -12.797 1.00 15.00 O ATOM 185 CB LYS A 378 -7.547 -1.269 -10.561 1.00 15.00 C ATOM 186 CG LYS A 378 -6.573 -1.042 -9.412 1.00 15.00 C ATOM 187 CD LYS A 378 -7.297 -0.813 -8.085 1.00 15.00 C ATOM 188 CE LYS A 378 -7.796 0.621 -7.910 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.782 1.026 -8.944 1.00 15.00 N1+ ATOM 0 H LYS A 378 -6.167 -3.340 -10.542 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.686 -2.001 -12.569 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -8.021 -0.320 -10.814 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.337 -1.940 -10.225 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.913 -1.904 -9.321 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.943 -0.181 -9.635 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.144 -1.496 -8.018 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.623 -1.059 -7.264 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.250 0.724 -6.924 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.945 1.302 -7.942 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.417 1.751 -8.553 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.281 1.413 -9.769 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.340 0.198 -9.235 1.00 15.00 H new ATOM 203 N GLY A 379 -4.616 -1.340 -12.466 1.00 15.00 N ATOM 204 CA GLY A 379 -3.555 -0.537 -13.043 1.00 15.00 C ATOM 205 C GLY A 379 -2.875 0.336 -12.015 1.00 15.00 C ATOM 206 O GLY A 379 -2.327 1.389 -12.345 1.00 15.00 O ATOM 0 H GLY A 379 -4.319 -2.254 -12.123 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.817 -1.192 -13.506 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.966 0.090 -13.835 1.00 15.00 H new ATOM 210 N ARG A 380 -2.900 -0.113 -10.766 1.00 15.00 N ATOM 211 CA ARG A 380 -2.349 0.652 -9.656 1.00 15.00 C ATOM 212 C ARG A 380 -1.939 -0.267 -8.503 1.00 15.00 C ATOM 213 O ARG A 380 -2.751 -1.045 -8.000 1.00 15.00 O ATOM 214 CB ARG A 380 -3.372 1.693 -9.175 1.00 15.00 C ATOM 215 CG ARG A 380 -3.263 3.044 -9.876 1.00 15.00 C ATOM 216 CD ARG A 380 -4.607 3.767 -9.958 1.00 15.00 C ATOM 217 NE ARG A 380 -5.403 3.309 -11.101 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.120 3.592 -12.377 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.041 4.296 -12.690 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -5.910 3.160 -13.347 1.00 15.00 N ATOM 0 H ARG A 380 -3.300 -1.012 -10.496 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.455 1.168 -10.006 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.376 1.297 -9.327 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.247 1.841 -8.102 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.548 3.671 -9.343 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.870 2.898 -10.882 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.165 3.602 -9.037 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.438 4.841 -10.040 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.226 2.737 -10.911 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.417 4.627 -11.954 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.835 4.506 -13.667 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.738 2.609 -13.123 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.690 3.378 -14.319 1.00 15.00 H new ATOM 234 N THR A 381 -0.674 -0.184 -8.101 1.00 15.00 N ATOM 235 CA THR A 381 -0.176 -0.943 -6.964 1.00 15.00 C ATOM 236 C THR A 381 -0.122 -0.044 -5.728 1.00 15.00 C ATOM 237 O THR A 381 0.241 1.129 -5.825 1.00 15.00 O ATOM 238 CB THR A 381 1.222 -1.543 -7.258 1.00 15.00 C ATOM 239 OG1 THR A 381 1.697 -2.291 -6.129 1.00 15.00 O ATOM 240 CG2 THR A 381 2.231 -0.463 -7.615 1.00 15.00 C ATOM 0 H THR A 381 0.026 0.406 -8.551 1.00 15.00 H new ATOM 0 HA THR A 381 -0.859 -1.772 -6.777 1.00 15.00 H new ATOM 0 HB THR A 381 1.115 -2.209 -8.115 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.940 -2.725 -5.683 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.200 -0.922 -7.815 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.893 0.072 -8.503 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.325 0.236 -6.784 1.00 15.00 H new ATOM 248 N TYR A 382 -0.500 -0.582 -4.575 1.00 15.00 N ATOM 249 CA TYR A 382 -0.612 0.224 -3.368 1.00 15.00 C ATOM 250 C TYR A 382 -0.203 -0.576 -2.139 1.00 15.00 C ATOM 251 O TYR A 382 -0.334 -1.802 -2.112 1.00 15.00 O ATOM 252 CB TYR A 382 -2.042 0.745 -3.211 1.00 15.00 C ATOM 253 CG TYR A 382 -2.968 -0.154 -2.431 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.418 -1.364 -2.944 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.399 0.224 -1.173 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.273 -2.169 -2.216 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.250 -0.570 -0.442 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.686 -1.765 -0.963 1.00 15.00 C ATOM 259 OH TYR A 382 -5.538 -2.557 -0.233 1.00 15.00 O ATOM 0 H TYR A 382 -0.733 -1.567 -4.451 1.00 15.00 H new ATOM 0 HA TYR A 382 0.065 1.073 -3.461 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.006 1.718 -2.720 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.465 0.904 -4.203 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.095 -1.680 -3.925 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.060 1.161 -0.757 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.616 -3.108 -2.625 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.575 -0.256 0.539 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.072 -3.376 0.037 1.00 15.00 H new ATOM 269 N TYR A 383 0.316 0.119 -1.141 1.00 15.00 N ATOM 270 CA TYR A 383 0.709 -0.516 0.104 1.00 15.00 C ATOM 271 C TYR A 383 -0.185 -0.039 1.252 1.00 15.00 C ATOM 272 O TYR A 383 -0.501 1.151 1.349 1.00 15.00 O ATOM 273 CB TYR A 383 2.170 -0.206 0.402 1.00 15.00 C ATOM 274 CG TYR A 383 3.096 -0.550 -0.735 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.329 -1.870 -1.079 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.732 0.443 -1.465 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.178 -2.198 -2.113 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.581 0.128 -2.504 1.00 15.00 C ATOM 279 CZ TYR A 383 4.806 -1.198 -2.823 1.00 15.00 C ATOM 280 OH TYR A 383 5.653 -1.524 -3.860 1.00 15.00 O ATOM 0 H TYR A 383 0.475 1.126 -1.170 1.00 15.00 H new ATOM 0 HA TYR A 383 0.590 -1.595 0.005 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.269 0.854 0.634 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.477 -0.757 1.291 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.837 -2.657 -0.527 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.559 1.479 -1.215 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.351 -3.234 -2.366 1.00 15.00 H new ATOM 0 HE2 TYR A 383 5.067 0.912 -3.065 1.00 15.00 H new ATOM 0 HH TYR A 383 5.412 -1.004 -4.655 1.00 15.00 H new ATOM 290 N VAL A 384 -0.571 -0.964 2.129 1.00 15.00 N ATOM 291 CA VAL A 384 -1.501 -0.667 3.217 1.00 15.00 C ATOM 292 C VAL A 384 -0.800 -0.697 4.561 1.00 15.00 C ATOM 293 O VAL A 384 -0.393 -1.758 5.019 1.00 15.00 O ATOM 294 CB VAL A 384 -2.633 -1.705 3.278 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.985 -1.036 3.367 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.564 -2.641 2.095 1.00 15.00 C ATOM 0 H VAL A 384 -0.251 -1.932 2.106 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.902 0.327 3.016 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.500 -2.296 4.184 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.765 -1.796 3.409 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.029 -0.422 4.266 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.138 -0.407 2.490 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.374 -3.367 2.158 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.661 -2.069 1.172 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.607 -3.163 2.100 1.00 15.00 H new ATOM 306 N ASN A 385 -0.697 0.441 5.220 1.00 15.00 N ATOM 307 CA ASN A 385 -0.015 0.502 6.500 1.00 15.00 C ATOM 308 C ASN A 385 -0.990 0.302 7.657 1.00 15.00 C ATOM 309 O ASN A 385 -1.947 1.052 7.770 1.00 15.00 O ATOM 310 CB ASN A 385 0.651 1.859 6.702 1.00 15.00 C ATOM 311 CG ASN A 385 1.458 1.872 7.981 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.977 0.713 8.350 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.612 2.893 8.636 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.074 1.331 4.894 1.00 15.00 H new ATOM 0 HA ASN A 385 0.730 -0.293 6.490 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.299 2.081 5.855 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.108 2.641 6.737 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.196 3.769 8.320 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.156 2.868 9.498 1.00 15.00 H new ATOM 320 N HIS A 386 -0.739 -0.672 8.538 1.00 15.00 N ATOM 321 CA HIS A 386 -1.626 -0.916 9.688 1.00 15.00 C ATOM 322 C HIS A 386 -1.193 -0.049 10.844 1.00 15.00 C ATOM 323 O HIS A 386 -1.907 0.132 11.825 1.00 15.00 O ATOM 324 CB HIS A 386 -1.621 -2.395 10.124 1.00 15.00 C ATOM 325 CG HIS A 386 -1.366 -3.323 8.991 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.571 -2.926 7.703 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.763 -4.529 8.920 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.092 -3.805 6.890 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.605 -4.807 7.591 1.00 15.00 N ATOM 0 H HIS A 386 0.062 -1.301 8.481 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.642 -0.667 9.383 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.858 -2.542 10.888 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.580 -2.639 10.580 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.464 -5.152 9.750 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.091 -3.731 5.813 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.180 -5.651 7.206 1.00 15.00 H new ATOM 338 N ASN A 387 0.003 0.467 10.700 1.00 15.00 N ATOM 339 CA ASN A 387 0.689 1.162 11.752 1.00 15.00 C ATOM 340 C ASN A 387 0.129 2.575 11.922 1.00 15.00 C ATOM 341 O ASN A 387 -0.143 3.013 13.040 1.00 15.00 O ATOM 342 CB ASN A 387 2.167 1.169 11.387 1.00 15.00 C ATOM 343 CG ASN A 387 3.048 1.787 12.457 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.271 2.996 12.476 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.566 0.956 13.347 1.00 15.00 N ATOM 0 H ASN A 387 0.534 0.413 9.831 1.00 15.00 H new ATOM 0 HA ASN A 387 0.548 0.667 12.713 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.494 0.145 11.204 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.301 1.718 10.455 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.175 1.312 14.084 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.356 -0.041 13.297 1.00 15.00 H new ATOM 352 N ASN A 388 -0.043 3.283 10.810 1.00 15.00 N ATOM 353 CA ASN A 388 -0.671 4.601 10.835 1.00 15.00 C ATOM 354 C ASN A 388 -2.088 4.530 10.258 1.00 15.00 C ATOM 355 O ASN A 388 -2.871 5.469 10.414 1.00 15.00 O ATOM 356 CB ASN A 388 0.179 5.639 10.082 1.00 15.00 C ATOM 357 CG ASN A 388 -0.230 5.822 8.631 1.00 15.00 C ATOM 358 OD1 ASN A 388 0.213 5.093 7.745 1.00 15.00 O ATOM 359 ND2 ASN A 388 -1.066 6.814 8.375 1.00 15.00 N ATOM 0 H ASN A 388 0.242 2.968 9.883 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.739 4.924 11.874 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.105 6.598 10.595 1.00 15.00 H new ATOM 0 HB3 ASN A 388 1.225 5.336 10.120 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.364 6.995 7.417 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.413 7.398 9.136 1.00 15.00 H new ATOM 366 N ARG A 389 -2.386 3.412 9.571 1.00 15.00 N ATOM 367 CA ARG A 389 -3.715 3.143 8.995 1.00 15.00 C ATOM 368 C ARG A 389 -3.906 3.877 7.669 1.00 15.00 C ATOM 369 O ARG A 389 -4.636 4.865 7.593 1.00 15.00 O ATOM 370 CB ARG A 389 -4.858 3.477 9.966 1.00 15.00 C ATOM 371 CG ARG A 389 -4.689 2.866 11.349 1.00 15.00 C ATOM 372 CD ARG A 389 -5.910 3.112 12.218 1.00 15.00 C ATOM 373 NE ARG A 389 -6.380 4.494 12.141 1.00 15.00 N ATOM 374 CZ ARG A 389 -7.340 4.995 12.917 1.00 15.00 C ATOM 375 NH1 ARG A 389 -7.860 4.263 13.896 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -7.779 6.232 12.722 1.00 15.00 N ATOM 0 H ARG A 389 -1.709 2.668 9.400 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.755 2.070 8.806 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.933 4.560 10.065 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.798 3.130 9.538 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -4.517 1.794 11.256 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -3.807 3.289 11.830 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -6.712 2.441 11.911 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -5.670 2.870 13.253 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.948 5.111 11.453 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -7.524 3.313 14.056 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.595 4.651 14.488 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -7.381 6.803 11.976 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -8.514 6.612 13.318 1.00 15.00 H new ATOM 390 N THR A 390 -3.198 3.432 6.635 1.00 15.00 N ATOM 391 CA THR A 390 -3.174 4.162 5.373 1.00 15.00 C ATOM 392 C THR A 390 -3.165 3.244 4.133 1.00 15.00 C ATOM 393 O THR A 390 -2.674 2.120 4.194 1.00 15.00 O ATOM 394 CB THR A 390 -1.941 5.105 5.351 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.256 6.321 6.035 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.433 5.420 3.942 1.00 15.00 C ATOM 0 H THR A 390 -2.639 2.579 6.645 1.00 15.00 H new ATOM 0 HA THR A 390 -4.098 4.738 5.317 1.00 15.00 H new ATOM 0 HB THR A 390 -1.134 4.575 5.857 1.00 15.00 H new ATOM 0 HG1 THR A 390 -3.045 6.184 6.600 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.571 6.084 4.006 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.143 4.495 3.445 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.224 5.906 3.370 1.00 15.00 H new ATOM 404 N THR A 391 -3.742 3.731 3.023 1.00 15.00 N ATOM 405 CA THR A 391 -3.696 3.052 1.740 1.00 15.00 C ATOM 406 C THR A 391 -3.203 4.045 0.671 1.00 15.00 C ATOM 407 O THR A 391 -3.892 5.024 0.373 1.00 15.00 O ATOM 408 CB THR A 391 -5.097 2.520 1.370 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.177 2.257 -0.028 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.185 3.505 1.775 1.00 15.00 C ATOM 0 H THR A 391 -4.254 4.613 3.002 1.00 15.00 H new ATOM 0 HA THR A 391 -3.013 2.205 1.796 1.00 15.00 H new ATOM 0 HB THR A 391 -5.255 1.591 1.918 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.731 1.408 -0.227 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.160 3.103 1.501 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.148 3.665 2.852 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.027 4.453 1.261 1.00 15.00 H new ATOM 418 N THR A 392 -2.005 3.840 0.114 1.00 15.00 N ATOM 419 CA THR A 392 -1.406 4.874 -0.719 1.00 15.00 C ATOM 420 C THR A 392 -0.496 4.307 -1.812 1.00 15.00 C ATOM 421 O THR A 392 0.078 3.226 -1.660 1.00 15.00 O ATOM 422 CB THR A 392 -0.620 5.873 0.155 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.235 7.014 -0.622 1.00 15.00 O ATOM 424 CG2 THR A 392 0.616 5.230 0.770 1.00 15.00 C ATOM 0 H THR A 392 -1.449 2.992 0.223 1.00 15.00 H new ATOM 0 HA THR A 392 -2.226 5.386 -1.222 1.00 15.00 H new ATOM 0 HB THR A 392 -1.277 6.188 0.966 1.00 15.00 H new ATOM 0 HG1 THR A 392 -0.018 7.759 -0.024 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.144 5.964 1.379 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.316 4.389 1.395 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.275 4.876 -0.023 1.00 15.00 H new ATOM 432 N TRP A 393 -0.410 5.034 -2.935 1.00 15.00 N ATOM 433 CA TRP A 393 0.546 4.706 -3.996 1.00 15.00 C ATOM 434 C TRP A 393 1.968 5.023 -3.533 1.00 15.00 C ATOM 435 O TRP A 393 2.947 4.553 -4.116 1.00 15.00 O ATOM 436 CB TRP A 393 0.304 5.528 -5.274 1.00 15.00 C ATOM 437 CG TRP A 393 -1.103 5.568 -5.803 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.718 6.653 -6.362 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.060 4.501 -5.859 1.00 15.00 C ATOM 440 NE1 TRP A 393 -2.987 6.328 -6.756 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.222 5.016 -6.461 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.052 3.168 -5.461 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.354 4.245 -6.676 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.180 2.401 -5.675 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.316 2.941 -6.278 1.00 15.00 C ATOM 0 H TRP A 393 -0.990 5.850 -3.130 1.00 15.00 H new ATOM 0 HA TRP A 393 0.414 3.646 -4.212 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.624 6.553 -5.084 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.950 5.133 -6.058 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.267 7.627 -6.476 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.651 6.964 -7.199 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.178 2.740 -4.992 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.235 4.662 -7.142 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.183 1.365 -5.370 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.182 2.315 -6.433 1.00 15.00 H new ATOM 456 N THR A 394 2.062 5.857 -2.504 1.00 15.00 N ATOM 457 CA THR A 394 3.329 6.428 -2.066 1.00 15.00 C ATOM 458 C THR A 394 4.244 5.384 -1.425 1.00 15.00 C ATOM 459 O THR A 394 3.780 4.422 -0.811 1.00 15.00 O ATOM 460 CB THR A 394 3.075 7.567 -1.061 1.00 15.00 C ATOM 461 OG1 THR A 394 1.946 8.341 -1.490 1.00 15.00 O ATOM 462 CG2 THR A 394 4.293 8.472 -0.941 1.00 15.00 C ATOM 0 H THR A 394 1.260 6.157 -1.949 1.00 15.00 H new ATOM 0 HA THR A 394 3.831 6.814 -2.953 1.00 15.00 H new ATOM 0 HB THR A 394 2.876 7.126 -0.085 1.00 15.00 H new ATOM 0 HG1 THR A 394 1.137 7.790 -1.450 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.086 9.267 -0.225 1.00 15.00 H new ATOM 0 HG22 THR A 394 5.147 7.888 -0.598 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.519 8.909 -1.914 1.00 15.00 H new ATOM 470 N ARG A 395 5.549 5.586 -1.582 1.00 15.00 N ATOM 471 CA ARG A 395 6.543 4.712 -0.979 1.00 15.00 C ATOM 472 C ARG A 395 6.578 4.889 0.530 1.00 15.00 C ATOM 473 O ARG A 395 6.563 6.012 1.035 1.00 15.00 O ATOM 474 CB ARG A 395 7.923 4.985 -1.574 1.00 15.00 C ATOM 475 CG ARG A 395 8.106 4.344 -2.933 1.00 15.00 C ATOM 476 CD ARG A 395 7.990 2.835 -2.834 1.00 15.00 C ATOM 477 NE ARG A 395 7.807 2.212 -4.138 1.00 15.00 N ATOM 478 CZ ARG A 395 7.826 0.900 -4.344 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.124 0.068 -3.350 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 7.554 0.425 -5.550 1.00 15.00 N ATOM 0 H ARG A 395 5.942 6.354 -2.126 1.00 15.00 H new ATOM 0 HA ARG A 395 6.263 3.681 -1.196 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.071 6.061 -1.661 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.689 4.612 -0.894 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.356 4.727 -3.625 1.00 15.00 H new ATOM 0 HG3 ARG A 395 9.081 4.613 -3.339 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.887 2.433 -2.364 1.00 15.00 H new ATOM 0 HD3 ARG A 395 7.150 2.578 -2.189 1.00 15.00 H new ATOM 0 HE ARG A 395 7.655 2.821 -4.942 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.339 0.437 -2.424 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.137 -0.939 -3.514 1.00 15.00 H new ATOM 0 HH21 ARG A 395 7.332 1.065 -6.312 1.00 15.00 H new ATOM 0 HH22 ARG A 395 7.566 -0.581 -5.717 1.00 15.00 H new ATOM 494 N PRO A 396 6.648 3.772 1.261 1.00 15.00 N ATOM 495 CA PRO A 396 6.643 3.776 2.723 1.00 15.00 C ATOM 496 C PRO A 396 7.928 4.347 3.310 1.00 15.00 C ATOM 497 O PRO A 396 9.028 3.947 2.936 1.00 15.00 O ATOM 498 CB PRO A 396 6.522 2.289 3.090 1.00 15.00 C ATOM 499 CG PRO A 396 6.115 1.601 1.831 1.00 15.00 C ATOM 500 CD PRO A 396 6.716 2.409 0.724 1.00 15.00 C ATOM 0 HA PRO A 396 5.840 4.399 3.116 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.469 1.898 3.463 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.783 2.138 3.877 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.479 0.574 1.810 1.00 15.00 H new ATOM 0 HG3 PRO A 396 5.030 1.557 1.741 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.741 2.107 0.510 1.00 15.00 H new ATOM 0 HD3 PRO A 396 6.154 2.309 -0.204 1.00 15.00 H new ATOM 616 N PRO B 180 -8.148 5.817 -7.629 1.00 15.00 N ATOM 617 CA PRO B 180 -7.523 5.568 -6.340 1.00 15.00 C ATOM 618 C PRO B 180 -7.556 4.245 -5.640 1.00 15.00 C ATOM 619 O PRO B 180 -8.262 3.290 -5.980 1.00 15.00 O ATOM 620 CB PRO B 180 -8.251 6.583 -5.480 1.00 15.00 C ATOM 621 CG PRO B 180 -7.922 7.682 -6.322 1.00 15.00 C ATOM 622 CD PRO B 180 -8.579 7.232 -7.620 1.00 15.00 C ATOM 0 HA PRO B 180 -6.448 5.618 -6.511 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.322 6.400 -5.391 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.857 6.668 -4.467 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.329 8.624 -5.955 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.846 7.819 -6.426 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.663 7.340 -7.601 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.219 7.786 -8.487 1.00 15.00 H new ATOM 630 N PRO B 181 -6.734 4.282 -4.575 1.00 15.00 N ATOM 631 CA PRO B 181 -6.451 3.172 -3.670 1.00 15.00 C ATOM 632 C PRO B 181 -7.696 2.490 -3.107 1.00 15.00 C ATOM 633 O PRO B 181 -8.679 3.143 -2.749 1.00 15.00 O ATOM 634 CB PRO B 181 -5.676 3.850 -2.524 1.00 15.00 C ATOM 635 CG PRO B 181 -5.823 5.326 -2.728 1.00 15.00 C ATOM 636 CD PRO B 181 -6.019 5.523 -4.160 1.00 15.00 C ATOM 0 HA PRO B 181 -5.917 2.377 -4.190 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.075 3.550 -1.555 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.626 3.559 -2.540 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.670 5.714 -2.162 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.937 5.857 -2.380 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.608 6.416 -4.368 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.071 5.637 -4.685 1.00 15.00 H new ATOM 644 N PRO B 182 -7.644 1.156 -3.017 1.00 15.00 N ATOM 645 CA PRO B 182 -8.618 0.360 -2.270 1.00 15.00 C ATOM 646 C PRO B 182 -8.439 0.599 -0.774 1.00 15.00 C ATOM 647 O PRO B 182 -7.333 0.899 -0.336 1.00 15.00 O ATOM 648 CB PRO B 182 -8.268 -1.091 -2.634 1.00 15.00 C ATOM 649 CG PRO B 182 -7.337 -1.001 -3.796 1.00 15.00 C ATOM 650 CD PRO B 182 -6.631 0.311 -3.656 1.00 15.00 C ATOM 0 HA PRO B 182 -9.652 0.609 -2.508 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.798 -1.603 -1.794 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.163 -1.657 -2.892 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.628 -1.828 -3.793 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.882 -1.052 -4.738 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.732 0.224 -3.045 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.322 0.710 -4.622 1.00 15.00 H new ATOM 658 N GLY B 183 -9.522 0.483 -0.008 1.00 15.00 N ATOM 659 CA GLY B 183 -9.504 0.826 1.413 1.00 15.00 C ATOM 660 C GLY B 183 -8.372 0.181 2.214 1.00 15.00 C ATOM 661 O GLY B 183 -7.661 -0.696 1.731 1.00 15.00 O ATOM 0 H GLY B 183 -10.425 0.153 -0.348 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.428 1.909 1.510 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.456 0.533 1.855 1.00 15.00 H new ATOM 665 N TYR B 184 -8.263 0.571 3.476 1.00 15.00 N ATOM 666 CA TYR B 184 -7.143 0.169 4.319 1.00 15.00 C ATOM 667 C TYR B 184 -7.401 -1.149 5.074 1.00 15.00 C ATOM 668 O TYR B 184 -8.474 -1.362 5.637 1.00 15.00 O ATOM 669 CB TYR B 184 -6.770 1.319 5.280 1.00 15.00 C ATOM 670 CG TYR B 184 -6.223 0.840 6.600 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.926 0.375 6.742 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.053 0.823 7.709 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.477 -0.087 7.965 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.613 0.363 8.924 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.325 -0.090 9.051 1.00 15.00 C ATOM 676 OH TYR B 184 -4.886 -0.553 10.271 1.00 15.00 O ATOM 0 H TYR B 184 -8.943 1.171 3.943 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.294 -0.033 3.666 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.031 1.959 4.799 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.653 1.932 5.462 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.261 0.373 5.891 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.068 1.180 7.615 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.463 -0.445 8.069 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.277 0.358 9.776 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.611 -0.484 10.927 1.00 15.00 H new ATOM 686 N LEU B 185 -6.356 -2.002 5.103 1.00 15.00 N ATOM 687 CA LEU B 185 -6.433 -3.371 5.606 1.00 15.00 C ATOM 688 C LEU B 185 -7.588 -4.149 5.029 1.00 15.00 C ATOM 689 O LEU B 185 -8.512 -4.577 5.723 1.00 15.00 O ATOM 690 CB LEU B 185 -6.371 -3.462 7.125 1.00 15.00 C ATOM 691 CG LEU B 185 -4.968 -3.617 7.685 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.000 -3.613 9.204 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.337 -4.903 7.171 1.00 15.00 C ATOM 0 H LEU B 185 -5.426 -1.746 4.771 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.528 -3.857 5.242 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.822 -2.565 7.550 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.976 -4.308 7.452 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.364 -2.774 7.351 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.987 -3.725 9.590 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.420 -2.671 9.557 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.616 -4.440 9.557 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.331 -5.003 7.579 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.942 -5.755 7.482 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.285 -4.873 6.083 1.00 15.00 H new ATOM 705 N SER B 186 -7.520 -4.277 3.728 1.00 15.00 N ATOM 706 CA SER B 186 -8.287 -5.237 2.994 1.00 15.00 C ATOM 707 C SER B 186 -7.391 -5.755 1.889 1.00 15.00 C ATOM 708 O SER B 186 -7.197 -5.088 0.878 1.00 15.00 O ATOM 709 CB SER B 186 -9.551 -4.584 2.429 1.00 15.00 C ATOM 710 OG SER B 186 -10.187 -5.414 1.468 1.00 15.00 O ATOM 0 H SER B 186 -6.915 -3.702 3.142 1.00 15.00 H new ATOM 0 HA SER B 186 -8.615 -6.058 3.631 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.245 -4.371 3.242 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.294 -3.629 1.971 1.00 15.00 H new ATOM 0 HG SER B 186 -10.991 -4.966 1.130 1.00 15.00 H new ATOM 716 N GLU B 187 -6.803 -6.921 2.100 1.00 15.00 N ATOM 717 CA GLU B 187 -5.822 -7.434 1.165 1.00 15.00 C ATOM 718 C GLU B 187 -6.261 -8.781 0.624 1.00 15.00 C ATOM 719 O GLU B 187 -6.133 -9.813 1.283 1.00 15.00 O ATOM 720 CB GLU B 187 -4.424 -7.491 1.818 1.00 15.00 C ATOM 721 CG GLU B 187 -3.821 -6.124 2.042 1.00 15.00 C ATOM 722 CD GLU B 187 -3.456 -5.446 0.749 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.326 -4.775 0.165 1.00 15.00 O ATOM 724 OE2 GLU B 187 -2.302 -5.589 0.315 1.00 15.00 O1- ATOM 0 H GLU B 187 -6.987 -7.523 2.903 1.00 15.00 H new ATOM 0 HA GLU B 187 -5.749 -6.753 0.317 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.496 -8.011 2.773 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.757 -8.077 1.185 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -4.529 -5.502 2.590 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -2.931 -6.219 2.665 1.00 15.00 H new