USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=13 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= 1.04 USER MOD Set 1.2: A 394 THR OG1 : rot 74:sc= 0.928 USER MOD Set 2.1: A 388 ASN : amide:sc= 1.07 K(o=2,f=0.51) USER MOD Set 2.2: A 390 THR OG1 : rot -147:sc= 0.911 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 143:sc= -2.38! (180deg=-5.37!) USER MOD Single : A 378 LYS NZ :NH3+ 149:sc= -0.521 (180deg=-2.05!) USER MOD Single : A 381 THR OG1 : rot 140:sc= -1.31 USER MOD Single : A 382 TYR OH : rot 81:sc= 1.89 USER MOD Single : A 383 TYR OH : rot 165:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -5.56! C(o=-7!,f=-5.6!) USER MOD Single : A 386 HIS : no HD1:sc= -7.98! C(o=-8!,f=-7.7!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 79:sc= -0.52 USER MOD Single : B 184 TYR OH : rot -150:sc= -3.45! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.106 -2.921 2.743 1.00 15.00 N ATOM 28 CA PRO A 368 8.413 -2.871 4.154 1.00 15.00 C ATOM 29 C PRO A 368 7.564 -3.845 4.959 1.00 15.00 C ATOM 30 O PRO A 368 6.364 -4.021 4.715 1.00 15.00 O ATOM 31 CB PRO A 368 8.025 -1.447 4.520 1.00 15.00 C ATOM 32 CG PRO A 368 6.831 -1.203 3.678 1.00 15.00 C ATOM 33 CD PRO A 368 7.128 -1.895 2.375 1.00 15.00 C ATOM 0 HA PRO A 368 9.449 -3.136 4.363 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.797 -1.350 5.582 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.826 -0.741 4.300 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.931 -1.605 4.143 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.664 -0.136 3.530 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.230 -2.335 1.941 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.532 -1.203 1.637 1.00 15.00 H new ATOM 41 N SER A 369 8.198 -4.460 5.918 1.00 15.00 N ATOM 42 CA SER A 369 7.536 -5.392 6.809 1.00 15.00 C ATOM 43 C SER A 369 6.580 -4.644 7.741 1.00 15.00 C ATOM 44 O SER A 369 7.021 -3.889 8.609 1.00 15.00 O ATOM 45 CB SER A 369 8.581 -6.145 7.626 1.00 15.00 C ATOM 46 OG SER A 369 9.580 -6.692 6.780 1.00 15.00 O ATOM 0 H SER A 369 9.192 -4.334 6.110 1.00 15.00 H new ATOM 0 HA SER A 369 6.959 -6.104 6.218 1.00 15.00 H new ATOM 0 HB2 SER A 369 9.039 -5.471 8.349 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.101 -6.943 8.193 1.00 15.00 H new ATOM 0 HG SER A 369 10.242 -7.170 7.322 1.00 15.00 H new ATOM 52 N GLY A 370 5.279 -4.811 7.537 1.00 15.00 N ATOM 53 CA GLY A 370 4.325 -4.165 8.411 1.00 15.00 C ATOM 54 C GLY A 370 3.126 -3.652 7.657 1.00 15.00 C ATOM 55 O GLY A 370 2.113 -3.299 8.252 1.00 15.00 O ATOM 0 H GLY A 370 4.873 -5.376 6.791 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.998 -4.870 9.175 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.810 -3.337 8.928 1.00 15.00 H new ATOM 59 N TRP A 371 3.266 -3.518 6.347 1.00 15.00 N ATOM 60 CA TRP A 371 2.147 -3.230 5.495 1.00 15.00 C ATOM 61 C TRP A 371 1.823 -4.434 4.624 1.00 15.00 C ATOM 62 O TRP A 371 2.681 -5.285 4.395 1.00 15.00 O ATOM 63 CB TRP A 371 2.486 -2.075 4.578 1.00 15.00 C ATOM 64 CG TRP A 371 3.093 -0.875 5.240 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.774 -0.797 6.414 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.056 0.431 4.719 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.180 0.491 6.635 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.737 1.274 5.601 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.497 0.944 3.580 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.870 2.641 5.361 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.613 2.301 3.325 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.297 3.139 4.219 1.00 15.00 C ATOM 0 H TRP A 371 4.156 -3.607 5.857 1.00 15.00 H new ATOM 0 HA TRP A 371 1.294 -2.983 6.127 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.176 -2.433 3.813 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.576 -1.763 4.066 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.966 -1.629 7.075 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.722 0.815 7.436 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.973 0.300 2.889 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.403 3.282 6.047 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.173 2.717 2.431 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.373 4.195 4.004 1.00 15.00 H new ATOM 83 N GLU A 372 0.600 -4.483 4.118 1.00 15.00 N ATOM 84 CA GLU A 372 0.244 -5.457 3.099 1.00 15.00 C ATOM 85 C GLU A 372 0.232 -4.753 1.751 1.00 15.00 C ATOM 86 O GLU A 372 -0.100 -3.563 1.684 1.00 15.00 O ATOM 87 CB GLU A 372 -1.137 -6.097 3.352 1.00 15.00 C ATOM 88 CG GLU A 372 -1.146 -7.605 3.185 1.00 15.00 C ATOM 89 CD GLU A 372 -0.089 -8.285 4.029 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.313 -8.439 5.248 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.974 -8.654 3.485 1.00 15.00 O ATOM 0 H GLU A 372 -0.160 -3.862 4.396 1.00 15.00 H new ATOM 0 HA GLU A 372 0.980 -6.260 3.123 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.464 -5.849 4.362 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.862 -5.659 2.666 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -2.128 -7.992 3.456 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -0.984 -7.853 2.136 1.00 15.00 H new ATOM 98 N GLU A 373 0.597 -5.457 0.687 1.00 15.00 N ATOM 99 CA GLU A 373 0.546 -4.863 -0.638 1.00 15.00 C ATOM 100 C GLU A 373 -0.344 -5.641 -1.574 1.00 15.00 C ATOM 101 O GLU A 373 -0.464 -6.869 -1.492 1.00 15.00 O ATOM 102 CB GLU A 373 1.908 -4.726 -1.301 1.00 15.00 C ATOM 103 CG GLU A 373 2.599 -6.043 -1.625 1.00 15.00 C ATOM 104 CD GLU A 373 3.158 -6.067 -3.040 1.00 15.00 C ATOM 105 OE1 GLU A 373 2.431 -6.482 -3.974 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 4.326 -5.672 -3.233 1.00 15.00 O ATOM 0 H GLU A 373 0.926 -6.422 0.715 1.00 15.00 H new ATOM 0 HA GLU A 373 0.140 -3.866 -0.465 1.00 15.00 H new ATOM 0 HB2 GLU A 373 1.791 -4.157 -2.224 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.557 -4.143 -0.647 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.408 -6.211 -0.914 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.891 -6.863 -1.502 1.00 15.00 H new ATOM 113 N ARG A 374 -0.910 -4.914 -2.504 1.00 15.00 N ATOM 114 CA ARG A 374 -1.760 -5.501 -3.518 1.00 15.00 C ATOM 115 C ARG A 374 -1.464 -4.890 -4.880 1.00 15.00 C ATOM 116 O ARG A 374 -1.709 -3.703 -5.115 1.00 15.00 O ATOM 117 CB ARG A 374 -3.247 -5.377 -3.177 1.00 15.00 C ATOM 118 CG ARG A 374 -3.746 -6.515 -2.298 1.00 15.00 C ATOM 119 CD ARG A 374 -5.249 -6.702 -2.412 1.00 15.00 C ATOM 120 NE ARG A 374 -5.995 -5.560 -1.898 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.245 -5.260 -2.252 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.898 -6.028 -3.121 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.842 -4.196 -1.729 1.00 15.00 N ATOM 0 H ARG A 374 -0.798 -3.903 -2.583 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.532 -6.566 -3.552 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.421 -4.428 -2.669 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.826 -5.356 -4.100 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.243 -7.440 -2.581 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.483 -6.314 -1.260 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.513 -6.864 -3.457 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.543 -7.599 -1.866 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.531 -4.951 -1.224 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.442 -6.849 -3.519 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.854 -5.795 -3.389 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.345 -3.610 -1.058 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.798 -3.964 -1.998 1.00 15.00 H new ATOM 137 N LYS A 375 -0.894 -5.702 -5.755 1.00 15.00 N ATOM 138 CA LYS A 375 -0.596 -5.297 -7.108 1.00 15.00 C ATOM 139 C LYS A 375 -1.788 -5.629 -7.992 1.00 15.00 C ATOM 140 O LYS A 375 -1.955 -6.776 -8.409 1.00 15.00 O ATOM 141 CB LYS A 375 0.659 -6.037 -7.572 1.00 15.00 C ATOM 142 CG LYS A 375 1.389 -5.402 -8.738 1.00 15.00 C ATOM 143 CD LYS A 375 2.703 -6.121 -9.033 1.00 15.00 C ATOM 144 CE LYS A 375 3.737 -5.951 -7.915 1.00 15.00 C ATOM 145 NZ LYS A 375 3.421 -6.748 -6.693 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.626 -6.663 -5.541 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.411 -4.224 -7.165 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.348 -6.113 -6.731 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.380 -7.054 -7.849 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.753 -5.426 -9.623 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.588 -4.354 -8.517 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.506 -7.183 -9.181 1.00 15.00 H new ATOM 0 HD3 LYS A 375 3.118 -5.741 -9.966 1.00 15.00 H new ATOM 0 HE2 LYS A 375 4.718 -6.245 -8.289 1.00 15.00 H new ATOM 0 HE3 LYS A 375 3.801 -4.897 -7.646 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 4.302 -7.113 -6.279 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 2.937 -6.143 -5.999 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 2.803 -7.544 -6.948 1.00 15.00 H new ATOM 159 N ASP A 376 -2.650 -4.648 -8.228 1.00 15.00 N ATOM 160 CA ASP A 376 -3.915 -4.922 -8.897 1.00 15.00 C ATOM 161 C ASP A 376 -3.847 -4.540 -10.376 1.00 15.00 C ATOM 162 O ASP A 376 -3.264 -3.506 -10.736 1.00 15.00 O ATOM 163 CB ASP A 376 -5.057 -4.170 -8.210 1.00 15.00 C ATOM 164 CG ASP A 376 -6.420 -4.689 -8.634 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.826 -4.436 -9.788 1.00 15.00 O ATOM 166 OD2 ASP A 376 -7.090 -5.348 -7.812 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.501 -3.672 -7.971 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.107 -5.993 -8.829 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.954 -4.264 -7.129 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.985 -3.108 -8.446 1.00 15.00 H new ATOM 171 N ALA A 377 -4.500 -5.345 -11.218 1.00 15.00 N ATOM 172 CA ALA A 377 -4.447 -5.179 -12.666 1.00 15.00 C ATOM 173 C ALA A 377 -5.250 -3.963 -13.130 1.00 15.00 C ATOM 174 O ALA A 377 -5.345 -3.691 -14.327 1.00 15.00 O ATOM 175 CB ALA A 377 -4.949 -6.439 -13.352 1.00 15.00 C ATOM 0 H ALA A 377 -5.078 -6.128 -10.912 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.407 -5.007 -12.944 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.906 -6.306 -14.433 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.323 -7.284 -13.065 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.979 -6.632 -13.051 1.00 15.00 H new ATOM 181 N LYS A 378 -5.828 -3.240 -12.177 1.00 15.00 N ATOM 182 CA LYS A 378 -6.485 -1.968 -12.460 1.00 15.00 C ATOM 183 C LYS A 378 -5.453 -0.922 -12.882 1.00 15.00 C ATOM 184 O LYS A 378 -5.800 0.195 -13.255 1.00 15.00 O ATOM 185 CB LYS A 378 -7.260 -1.487 -11.225 1.00 15.00 C ATOM 186 CG LYS A 378 -6.376 -1.203 -10.016 1.00 15.00 C ATOM 187 CD LYS A 378 -7.124 -1.369 -8.692 1.00 15.00 C ATOM 188 CE LYS A 378 -8.025 -0.189 -8.351 1.00 15.00 C ATOM 189 NZ LYS A 378 -9.129 -0.002 -9.327 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.855 -3.515 -11.195 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.189 -2.111 -13.280 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.809 -0.581 -11.482 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.998 -2.242 -10.954 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.518 -1.875 -10.032 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.987 -0.187 -10.085 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -7.727 -2.276 -8.736 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.400 -1.507 -7.889 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.447 -0.336 -7.357 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -7.425 0.720 -8.311 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.957 0.399 -8.842 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.821 0.646 -10.080 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.383 -0.920 -9.743 1.00 15.00 H new ATOM 203 N GLY A 379 -4.180 -1.302 -12.811 1.00 15.00 N ATOM 204 CA GLY A 379 -3.108 -0.418 -13.215 1.00 15.00 C ATOM 205 C GLY A 379 -2.612 0.428 -12.068 1.00 15.00 C ATOM 206 O GLY A 379 -2.082 1.517 -12.274 1.00 15.00 O ATOM 0 H GLY A 379 -3.873 -2.216 -12.477 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.283 -1.008 -13.614 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.456 0.230 -14.020 1.00 15.00 H new ATOM 210 N ARG A 380 -2.771 -0.084 -10.853 1.00 15.00 N ATOM 211 CA ARG A 380 -2.405 0.660 -9.655 1.00 15.00 C ATOM 212 C ARG A 380 -2.041 -0.293 -8.509 1.00 15.00 C ATOM 213 O ARG A 380 -2.762 -1.251 -8.219 1.00 15.00 O ATOM 214 CB ARG A 380 -3.548 1.616 -9.254 1.00 15.00 C ATOM 215 CG ARG A 380 -3.434 3.007 -9.891 1.00 15.00 C ATOM 216 CD ARG A 380 -4.758 3.784 -9.893 1.00 15.00 C ATOM 217 NE ARG A 380 -5.670 3.315 -10.945 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.472 3.501 -12.257 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.380 4.105 -12.703 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.371 3.077 -13.130 1.00 15.00 N ATOM 0 H ARG A 380 -3.152 -1.013 -10.672 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.521 1.260 -9.871 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.501 1.171 -9.541 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.559 1.722 -8.169 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.682 3.585 -9.353 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.081 2.901 -10.917 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.241 3.680 -8.921 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.555 4.845 -10.036 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.511 2.814 -10.657 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.675 4.436 -12.044 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.244 4.239 -13.705 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.216 2.608 -12.805 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.219 3.219 -14.129 1.00 15.00 H new ATOM 234 N THR A 381 -0.900 -0.033 -7.879 1.00 15.00 N ATOM 235 CA THR A 381 -0.429 -0.831 -6.756 1.00 15.00 C ATOM 236 C THR A 381 -0.328 0.045 -5.514 1.00 15.00 C ATOM 237 O THR A 381 0.180 1.163 -5.585 1.00 15.00 O ATOM 238 CB THR A 381 0.947 -1.454 -7.066 1.00 15.00 C ATOM 239 OG1 THR A 381 0.837 -2.324 -8.199 1.00 15.00 O ATOM 240 CG2 THR A 381 1.495 -2.225 -5.872 1.00 15.00 C ATOM 0 H THR A 381 -0.278 0.735 -8.133 1.00 15.00 H new ATOM 0 HA THR A 381 -1.141 -1.637 -6.580 1.00 15.00 H new ATOM 0 HB THR A 381 1.642 -0.644 -7.287 1.00 15.00 H new ATOM 0 HG1 THR A 381 1.625 -2.217 -8.771 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.466 -2.650 -6.128 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.606 -1.550 -5.023 1.00 15.00 H new ATOM 0 HG23 THR A 381 0.806 -3.027 -5.610 1.00 15.00 H new ATOM 248 N TYR A 382 -0.811 -0.454 -4.386 1.00 15.00 N ATOM 249 CA TYR A 382 -0.896 0.359 -3.184 1.00 15.00 C ATOM 250 C TYR A 382 -0.545 -0.452 -1.939 1.00 15.00 C ATOM 251 O TYR A 382 -0.745 -1.667 -1.901 1.00 15.00 O ATOM 252 CB TYR A 382 -2.293 0.968 -3.068 1.00 15.00 C ATOM 253 CG TYR A 382 -3.320 0.090 -2.402 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.630 -1.180 -2.878 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.979 0.550 -1.286 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.572 -1.962 -2.242 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.920 -0.214 -0.648 1.00 15.00 C ATOM 258 CZ TYR A 382 -5.216 -1.475 -1.125 1.00 15.00 C ATOM 259 OH TYR A 382 -6.154 -2.252 -0.488 1.00 15.00 O ATOM 0 H TYR A 382 -1.148 -1.411 -4.279 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.167 1.166 -3.259 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.220 1.902 -2.511 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.647 1.220 -4.068 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.127 -1.558 -3.756 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.750 1.534 -0.905 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.803 -2.948 -2.617 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.428 0.169 0.225 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.703 -2.895 0.097 1.00 15.00 H new ATOM 269 N TYR A 383 -0.002 0.226 -0.938 1.00 15.00 N ATOM 270 CA TYR A 383 0.415 -0.424 0.297 1.00 15.00 C ATOM 271 C TYR A 383 -0.411 0.103 1.479 1.00 15.00 C ATOM 272 O TYR A 383 -0.580 1.318 1.625 1.00 15.00 O ATOM 273 CB TYR A 383 1.902 -0.146 0.534 1.00 15.00 C ATOM 274 CG TYR A 383 2.759 -0.274 -0.711 1.00 15.00 C ATOM 275 CD1 TYR A 383 2.903 -1.495 -1.356 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.414 0.831 -1.246 1.00 15.00 C ATOM 277 CE1 TYR A 383 3.678 -1.613 -2.494 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.189 0.718 -2.385 1.00 15.00 C ATOM 279 CZ TYR A 383 4.316 -0.505 -3.004 1.00 15.00 C ATOM 280 OH TYR A 383 5.087 -0.623 -4.137 1.00 15.00 O ATOM 0 H TYR A 383 0.161 1.233 -0.957 1.00 15.00 H new ATOM 0 HA TYR A 383 0.253 -1.498 0.212 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.013 0.860 0.937 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.274 -0.836 1.291 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.401 -2.366 -0.962 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.315 1.792 -0.764 1.00 15.00 H new ATOM 0 HE1 TYR A 383 3.783 -2.571 -2.981 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.692 1.585 -2.787 1.00 15.00 H new ATOM 0 HH TYR A 383 5.271 0.268 -4.502 1.00 15.00 H new ATOM 290 N VAL A 384 -0.924 -0.799 2.324 1.00 15.00 N ATOM 291 CA VAL A 384 -1.697 -0.386 3.499 1.00 15.00 C ATOM 292 C VAL A 384 -0.893 -0.543 4.792 1.00 15.00 C ATOM 293 O VAL A 384 -0.460 -1.642 5.135 1.00 15.00 O ATOM 294 CB VAL A 384 -3.028 -1.159 3.645 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.001 -0.731 2.585 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.831 -2.660 3.587 1.00 15.00 C ATOM 0 H VAL A 384 -0.819 -1.808 2.218 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.925 0.667 3.335 1.00 15.00 H new ATOM 0 HB VAL A 384 -3.430 -0.918 4.629 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.933 -1.284 2.702 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.198 0.337 2.682 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -3.579 -0.934 1.601 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.795 -3.158 3.694 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.387 -2.932 2.630 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -2.170 -2.972 4.396 1.00 15.00 H new ATOM 306 N ASN A 385 -0.713 0.547 5.529 1.00 15.00 N ATOM 307 CA ASN A 385 0.073 0.507 6.755 1.00 15.00 C ATOM 308 C ASN A 385 -0.824 0.293 7.978 1.00 15.00 C ATOM 309 O ASN A 385 -1.680 1.127 8.254 1.00 15.00 O ATOM 310 CB ASN A 385 0.831 1.821 6.935 1.00 15.00 C ATOM 311 CG ASN A 385 1.695 1.831 8.187 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.182 0.669 8.601 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.934 2.873 8.775 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.098 1.463 5.301 1.00 15.00 H new ATOM 0 HA ASN A 385 0.772 -0.325 6.672 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.460 1.996 6.062 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.118 2.644 6.984 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.546 3.752 8.433 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.522 2.865 9.608 1.00 15.00 H new ATOM 320 N HIS A 386 -0.599 -0.784 8.744 1.00 15.00 N ATOM 321 CA HIS A 386 -1.465 -1.118 9.885 1.00 15.00 C ATOM 322 C HIS A 386 -1.096 -0.240 11.049 1.00 15.00 C ATOM 323 O HIS A 386 -1.805 -0.131 12.047 1.00 15.00 O ATOM 324 CB HIS A 386 -1.332 -2.599 10.295 1.00 15.00 C ATOM 325 CG HIS A 386 -1.024 -3.485 9.140 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.311 -3.099 7.865 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.324 -4.635 9.035 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.796 -3.936 7.027 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.195 -4.897 7.699 1.00 15.00 N ATOM 0 H HIS A 386 0.171 -1.436 8.596 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.500 -0.950 9.588 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.545 -2.696 11.043 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.260 -2.928 10.763 1.00 15.00 H new ATOM 0 HD2 HIS A 386 0.060 -5.232 9.849 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -0.849 -3.861 5.951 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.285 -5.700 7.292 1.00 15.00 H new ATOM 338 N ASN A 387 0.052 0.360 10.890 1.00 15.00 N ATOM 339 CA ASN A 387 0.697 1.107 11.927 1.00 15.00 C ATOM 340 C ASN A 387 0.241 2.567 11.915 1.00 15.00 C ATOM 341 O ASN A 387 0.297 3.255 12.933 1.00 15.00 O ATOM 342 CB ASN A 387 2.196 0.977 11.682 1.00 15.00 C ATOM 343 CG ASN A 387 3.043 1.551 12.799 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.375 2.736 12.803 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.417 0.703 13.744 1.00 15.00 N ATOM 0 H ASN A 387 0.574 0.341 10.014 1.00 15.00 H new ATOM 0 HA ASN A 387 0.438 0.723 12.914 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.445 -0.076 11.553 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.449 1.481 10.749 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.003 1.024 14.514 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.119 -0.272 13.702 1.00 15.00 H new ATOM 352 N ASN A 388 -0.201 3.039 10.750 1.00 15.00 N ATOM 353 CA ASN A 388 -0.642 4.426 10.605 1.00 15.00 C ATOM 354 C ASN A 388 -2.104 4.508 10.160 1.00 15.00 C ATOM 355 O ASN A 388 -2.718 5.569 10.241 1.00 15.00 O ATOM 356 CB ASN A 388 0.257 5.171 9.609 1.00 15.00 C ATOM 357 CG ASN A 388 0.088 6.681 9.662 1.00 15.00 C ATOM 358 OD1 ASN A 388 0.721 7.354 10.472 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.737 7.228 8.782 1.00 15.00 N ATOM 0 H ASN A 388 -0.263 2.484 9.896 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.563 4.902 11.582 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.298 4.921 9.812 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.037 4.823 8.600 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.863 8.240 8.762 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.246 6.637 8.124 1.00 15.00 H new ATOM 366 N ARG A 389 -2.649 3.380 9.681 1.00 15.00 N ATOM 367 CA ARG A 389 -4.013 3.336 9.133 1.00 15.00 C ATOM 368 C ARG A 389 -4.081 4.093 7.815 1.00 15.00 C ATOM 369 O ARG A 389 -4.637 5.190 7.744 1.00 15.00 O ATOM 370 CB ARG A 389 -5.063 3.883 10.115 1.00 15.00 C ATOM 371 CG ARG A 389 -5.513 2.889 11.175 1.00 15.00 C ATOM 372 CD ARG A 389 -4.352 2.385 12.009 1.00 15.00 C ATOM 373 NE ARG A 389 -4.788 1.473 13.062 1.00 15.00 N ATOM 374 CZ ARG A 389 -4.236 1.421 14.272 1.00 15.00 C ATOM 375 NH1 ARG A 389 -3.244 2.246 14.586 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -4.686 0.557 15.170 1.00 15.00 N ATOM 0 H ARG A 389 -2.164 2.483 9.662 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.251 2.286 8.961 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.655 4.764 10.611 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.935 4.211 9.549 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.249 3.361 11.826 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -6.007 2.045 10.694 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -3.636 1.877 11.363 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.832 3.232 12.456 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.561 0.839 12.859 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.905 2.920 13.900 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -2.821 2.206 15.513 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -5.456 -0.069 14.934 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -4.262 0.518 16.097 1.00 15.00 H new ATOM 390 N THR A 390 -3.463 3.536 6.778 1.00 15.00 N ATOM 391 CA THR A 390 -3.303 4.273 5.538 1.00 15.00 C ATOM 392 C THR A 390 -3.398 3.382 4.278 1.00 15.00 C ATOM 393 O THR A 390 -3.004 2.215 4.310 1.00 15.00 O ATOM 394 CB THR A 390 -1.934 5.003 5.575 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.968 6.046 6.558 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.519 5.576 4.223 1.00 15.00 C ATOM 0 H THR A 390 -3.073 2.594 6.774 1.00 15.00 H new ATOM 0 HA THR A 390 -4.126 4.984 5.465 1.00 15.00 H new ATOM 0 HB THR A 390 -1.186 4.256 5.840 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.405 6.792 6.263 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.554 6.073 4.319 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.441 4.769 3.494 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.266 6.296 3.888 1.00 15.00 H new ATOM 404 N THR A 391 -3.927 3.952 3.178 1.00 15.00 N ATOM 405 CA THR A 391 -3.989 3.296 1.883 1.00 15.00 C ATOM 406 C THR A 391 -3.428 4.257 0.818 1.00 15.00 C ATOM 407 O THR A 391 -4.031 5.298 0.541 1.00 15.00 O ATOM 408 CB THR A 391 -5.448 2.910 1.537 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.565 2.620 0.148 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.420 4.018 1.916 1.00 15.00 C ATOM 0 H THR A 391 -4.324 4.891 3.177 1.00 15.00 H new ATOM 0 HA THR A 391 -3.396 2.382 1.909 1.00 15.00 H new ATOM 0 HB THR A 391 -5.702 2.021 2.115 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.231 1.715 -0.027 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.435 3.715 1.660 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.357 4.206 2.988 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.165 4.928 1.372 1.00 15.00 H new ATOM 418 N THR A 392 -2.257 3.961 0.252 1.00 15.00 N ATOM 419 CA THR A 392 -1.573 4.963 -0.548 1.00 15.00 C ATOM 420 C THR A 392 -0.711 4.377 -1.670 1.00 15.00 C ATOM 421 O THR A 392 -0.216 3.250 -1.568 1.00 15.00 O ATOM 422 CB THR A 392 -0.722 5.848 0.376 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.275 7.024 -0.319 1.00 15.00 O ATOM 424 CG2 THR A 392 0.473 5.083 0.936 1.00 15.00 C ATOM 0 H THR A 392 -1.779 3.063 0.331 1.00 15.00 H new ATOM 0 HA THR A 392 -2.342 5.553 -1.047 1.00 15.00 H new ATOM 0 HB THR A 392 -1.352 6.150 1.213 1.00 15.00 H new ATOM 0 HG1 THR A 392 -0.008 7.707 0.331 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.053 5.739 1.585 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.120 4.225 1.509 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.101 4.737 0.115 1.00 15.00 H new ATOM 432 N TRP A 393 -0.574 5.148 -2.760 1.00 15.00 N ATOM 433 CA TRP A 393 0.362 4.815 -3.838 1.00 15.00 C ATOM 434 C TRP A 393 1.797 5.079 -3.390 1.00 15.00 C ATOM 435 O TRP A 393 2.750 4.620 -4.015 1.00 15.00 O ATOM 436 CB TRP A 393 0.131 5.671 -5.100 1.00 15.00 C ATOM 437 CG TRP A 393 -1.265 5.699 -5.656 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.908 6.797 -6.161 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.180 4.606 -5.795 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.158 6.452 -6.606 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.349 5.116 -6.391 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.129 3.252 -5.478 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.447 4.314 -6.672 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.224 2.458 -5.758 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.368 2.992 -6.350 1.00 15.00 C ATOM 0 H TRP A 393 -1.102 6.007 -2.915 1.00 15.00 H new ATOM 0 HA TRP A 393 0.195 3.763 -4.070 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.427 6.695 -4.874 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.800 5.311 -5.881 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.490 7.792 -6.203 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.834 7.088 -7.028 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.247 2.829 -5.020 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.335 4.724 -7.131 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.194 1.406 -5.514 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.208 2.345 -6.557 1.00 15.00 H new ATOM 456 N THR A 394 1.936 5.851 -2.319 1.00 15.00 N ATOM 457 CA THR A 394 3.231 6.374 -1.905 1.00 15.00 C ATOM 458 C THR A 394 4.145 5.274 -1.365 1.00 15.00 C ATOM 459 O THR A 394 3.689 4.332 -0.715 1.00 15.00 O ATOM 460 CB THR A 394 3.052 7.458 -0.822 1.00 15.00 C ATOM 461 OG1 THR A 394 1.957 8.317 -1.175 1.00 15.00 O ATOM 462 CG2 THR A 394 4.318 8.289 -0.660 1.00 15.00 C ATOM 0 H THR A 394 1.161 6.130 -1.718 1.00 15.00 H new ATOM 0 HA THR A 394 3.698 6.806 -2.790 1.00 15.00 H new ATOM 0 HB THR A 394 2.844 6.961 0.126 1.00 15.00 H new ATOM 0 HG1 THR A 394 1.111 7.846 -1.026 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.161 9.044 0.110 1.00 15.00 H new ATOM 0 HG22 THR A 394 5.144 7.640 -0.369 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.556 8.778 -1.605 1.00 15.00 H new ATOM 470 N ARG A 395 5.438 5.410 -1.640 1.00 15.00 N ATOM 471 CA ARG A 395 6.428 4.471 -1.143 1.00 15.00 C ATOM 472 C ARG A 395 6.596 4.620 0.363 1.00 15.00 C ATOM 473 O ARG A 395 6.758 5.726 0.878 1.00 15.00 O ATOM 474 CB ARG A 395 7.768 4.685 -1.846 1.00 15.00 C ATOM 475 CG ARG A 395 7.783 4.193 -3.284 1.00 15.00 C ATOM 476 CD ARG A 395 7.504 2.703 -3.356 1.00 15.00 C ATOM 477 NE ARG A 395 7.668 2.180 -4.712 1.00 15.00 N ATOM 478 CZ ARG A 395 7.981 0.917 -4.993 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.189 0.043 -4.014 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 8.098 0.528 -6.255 1.00 15.00 N ATOM 0 H ARG A 395 5.822 6.166 -2.207 1.00 15.00 H new ATOM 0 HA ARG A 395 6.079 3.461 -1.356 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.012 5.747 -1.831 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.549 4.171 -1.286 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.036 4.734 -3.864 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.752 4.407 -3.734 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.177 2.175 -2.680 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.488 2.507 -3.012 1.00 15.00 H new ATOM 0 HE ARG A 395 7.534 2.824 -5.492 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.109 0.339 -3.041 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.429 -0.923 -4.235 1.00 15.00 H new ATOM 0 HH21 ARG A 395 7.948 1.196 -7.011 1.00 15.00 H new ATOM 0 HH22 ARG A 395 8.338 -0.440 -6.470 1.00 15.00 H new ATOM 494 N PRO A 396 6.574 3.496 1.082 1.00 15.00 N ATOM 495 CA PRO A 396 6.622 3.484 2.543 1.00 15.00 C ATOM 496 C PRO A 396 7.977 3.907 3.098 1.00 15.00 C ATOM 497 O PRO A 396 8.995 3.262 2.848 1.00 15.00 O ATOM 498 CB PRO A 396 6.345 2.018 2.899 1.00 15.00 C ATOM 499 CG PRO A 396 5.822 1.398 1.649 1.00 15.00 C ATOM 500 CD PRO A 396 6.473 2.145 0.530 1.00 15.00 C ATOM 0 HA PRO A 396 5.909 4.191 2.968 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.253 1.517 3.236 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.620 1.941 3.709 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.065 0.336 1.606 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.736 1.479 1.595 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.450 1.733 0.279 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.873 2.120 -0.380 1.00 15.00 H new ATOM 616 N PRO B 180 -8.058 6.246 -7.655 1.00 15.00 N ATOM 617 CA PRO B 180 -7.475 5.901 -6.362 1.00 15.00 C ATOM 618 C PRO B 180 -7.627 4.563 -5.696 1.00 15.00 C ATOM 619 O PRO B 180 -8.400 3.677 -6.068 1.00 15.00 O ATOM 620 CB PRO B 180 -8.132 6.949 -5.486 1.00 15.00 C ATOM 621 CG PRO B 180 -7.687 8.035 -6.285 1.00 15.00 C ATOM 622 CD PRO B 180 -8.356 7.694 -7.603 1.00 15.00 C ATOM 0 HA PRO B 180 -6.397 5.858 -6.518 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.217 6.859 -5.426 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.757 6.969 -4.463 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.010 8.999 -5.892 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.601 8.072 -6.368 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.426 7.902 -7.597 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.930 8.241 -8.444 1.00 15.00 H new ATOM 630 N PRO B 181 -6.813 4.505 -4.622 1.00 15.00 N ATOM 631 CA PRO B 181 -6.594 3.349 -3.759 1.00 15.00 C ATOM 632 C PRO B 181 -7.865 2.667 -3.257 1.00 15.00 C ATOM 633 O PRO B 181 -8.865 3.313 -2.933 1.00 15.00 O ATOM 634 CB PRO B 181 -5.834 3.945 -2.561 1.00 15.00 C ATOM 635 CG PRO B 181 -5.888 5.430 -2.723 1.00 15.00 C ATOM 636 CD PRO B 181 -6.024 5.681 -4.153 1.00 15.00 C ATOM 0 HA PRO B 181 -6.072 2.566 -4.310 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.292 3.640 -1.620 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.802 3.594 -2.542 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.729 5.851 -2.173 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.985 5.897 -2.330 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.541 6.620 -4.351 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.054 5.740 -4.647 1.00 15.00 H new ATOM 644 N PRO B 182 -7.800 1.332 -3.180 1.00 15.00 N ATOM 645 CA PRO B 182 -8.766 0.501 -2.456 1.00 15.00 C ATOM 646 C PRO B 182 -8.612 0.716 -0.951 1.00 15.00 C ATOM 647 O PRO B 182 -7.528 1.063 -0.495 1.00 15.00 O ATOM 648 CB PRO B 182 -8.380 -0.939 -2.842 1.00 15.00 C ATOM 649 CG PRO B 182 -7.424 -0.812 -3.984 1.00 15.00 C ATOM 650 CD PRO B 182 -6.758 0.518 -3.816 1.00 15.00 C ATOM 0 HA PRO B 182 -9.802 0.734 -2.702 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.919 -1.459 -2.002 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.259 -1.516 -3.130 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.692 -1.620 -3.972 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.946 -0.869 -4.939 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.866 0.447 -3.194 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.447 0.937 -4.773 1.00 15.00 H new ATOM 658 N GLY B 183 -9.698 0.557 -0.197 1.00 15.00 N ATOM 659 CA GLY B 183 -9.681 0.833 1.239 1.00 15.00 C ATOM 660 C GLY B 183 -8.516 0.186 1.989 1.00 15.00 C ATOM 661 O GLY B 183 -7.866 -0.731 1.491 1.00 15.00 O ATOM 0 H GLY B 183 -10.599 0.239 -0.555 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.641 1.912 1.390 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.617 0.485 1.675 1.00 15.00 H new ATOM 665 N TYR B 184 -8.302 0.621 3.225 1.00 15.00 N ATOM 666 CA TYR B 184 -7.110 0.248 3.982 1.00 15.00 C ATOM 667 C TYR B 184 -7.290 -1.048 4.806 1.00 15.00 C ATOM 668 O TYR B 184 -8.287 -1.221 5.504 1.00 15.00 O ATOM 669 CB TYR B 184 -6.673 1.431 4.877 1.00 15.00 C ATOM 670 CG TYR B 184 -6.007 1.013 6.162 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.728 0.491 6.192 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.696 1.133 7.361 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.155 0.099 7.381 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.130 0.749 8.550 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.861 0.231 8.559 1.00 15.00 C ATOM 676 OH TYR B 184 -4.292 -0.151 9.749 1.00 15.00 O ATOM 0 H TYR B 184 -8.942 1.236 3.728 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.322 0.027 3.262 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.988 2.065 4.314 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.548 2.037 5.113 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.171 0.389 5.272 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.698 1.537 7.358 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.156 -0.311 7.392 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.681 0.854 9.473 1.00 15.00 H new ATOM 0 HH TYR B 184 -4.993 -0.449 10.366 1.00 15.00 H new ATOM 686 N LEU B 185 -6.276 -1.943 4.717 1.00 15.00 N ATOM 687 CA LEU B 185 -6.283 -3.257 5.366 1.00 15.00 C ATOM 688 C LEU B 185 -7.422 -4.139 4.953 1.00 15.00 C ATOM 689 O LEU B 185 -7.860 -5.014 5.700 1.00 15.00 O ATOM 690 CB LEU B 185 -6.160 -3.181 6.874 1.00 15.00 C ATOM 691 CG LEU B 185 -4.733 -3.230 7.348 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.668 -3.134 8.864 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.076 -4.512 6.862 1.00 15.00 C ATOM 0 H LEU B 185 -5.425 -1.761 4.184 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.378 -3.738 4.994 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.623 -2.259 7.225 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.715 -4.006 7.321 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.193 -2.378 6.935 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.628 -3.171 9.187 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.115 -2.194 9.189 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.215 -3.967 9.305 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.043 -4.545 7.207 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.618 -5.371 7.258 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.096 -4.541 5.773 1.00 15.00 H new ATOM 705 N SER B 186 -7.847 -3.949 3.741 1.00 15.00 N ATOM 706 CA SER B 186 -8.534 -4.988 3.054 1.00 15.00 C ATOM 707 C SER B 186 -7.566 -5.524 2.013 1.00 15.00 C ATOM 708 O SER B 186 -7.373 -4.916 0.966 1.00 15.00 O ATOM 709 CB SER B 186 -9.792 -4.412 2.421 1.00 15.00 C ATOM 710 OG SER B 186 -10.365 -5.297 1.473 1.00 15.00 O ATOM 0 H SER B 186 -7.728 -3.085 3.212 1.00 15.00 H new ATOM 0 HA SER B 186 -8.848 -5.796 3.715 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.522 -4.194 3.200 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.552 -3.466 1.935 1.00 15.00 H new ATOM 0 HG SER B 186 -11.171 -4.890 1.091 1.00 15.00 H new ATOM 716 N GLU B 187 -6.920 -6.635 2.335 1.00 15.00 N ATOM 717 CA GLU B 187 -5.919 -7.218 1.457 1.00 15.00 C ATOM 718 C GLU B 187 -6.210 -8.695 1.273 1.00 15.00 C ATOM 719 O GLU B 187 -5.919 -9.514 2.147 1.00 15.00 O ATOM 720 CB GLU B 187 -4.482 -6.976 1.984 1.00 15.00 C ATOM 721 CG GLU B 187 -4.112 -5.506 2.086 1.00 15.00 C ATOM 722 CD GLU B 187 -3.872 -4.859 0.740 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.838 -4.362 0.130 1.00 15.00 O ATOM 724 OE2 GLU B 187 -2.716 -4.847 0.291 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.073 -7.152 3.201 1.00 15.00 H new ATOM 0 HA GLU B 187 -5.974 -6.726 0.486 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.382 -7.436 2.967 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.773 -7.476 1.324 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -4.910 -4.972 2.602 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.214 -5.405 2.696 1.00 15.00 H new