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 -133:sc= 1.23 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 388 ASN : amide:sc= -0.0688 X(o=-0.069,f=0.075) USER MOD Set 2.2: A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 378 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 THR OG1 : rot 33:sc= 0.434 USER MOD Single : A 382 TYR OH : rot 74:sc= 1.82 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -4.03! C(o=-7.5!,f=-4!) USER MOD Single : A 386 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-12!) USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 391 THR OG1 : rot 94:sc= 0.801 USER MOD Single : B 184 TYR OH : rot 68:sc= -0.936 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.224 -2.756 3.061 1.00 15.00 N ATOM 28 CA PRO A 368 8.548 -2.841 4.461 1.00 15.00 C ATOM 29 C PRO A 368 7.690 -3.875 5.166 1.00 15.00 C ATOM 30 O PRO A 368 6.501 -4.042 4.873 1.00 15.00 O ATOM 31 CB PRO A 368 8.206 -1.453 4.972 1.00 15.00 C ATOM 32 CG PRO A 368 7.038 -1.059 4.146 1.00 15.00 C ATOM 33 CD PRO A 368 7.230 -1.719 2.815 1.00 15.00 C ATOM 0 HA PRO A 368 9.582 -3.138 4.635 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.961 -1.465 6.034 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.039 -0.762 4.845 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.106 -1.381 4.610 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.983 0.024 4.040 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.297 -2.144 2.444 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.576 -1.007 2.065 1.00 15.00 H new ATOM 41 N SER A 369 8.298 -4.536 6.102 1.00 15.00 N ATOM 42 CA SER A 369 7.642 -5.572 6.870 1.00 15.00 C ATOM 43 C SER A 369 6.595 -4.963 7.810 1.00 15.00 C ATOM 44 O SER A 369 6.946 -4.335 8.813 1.00 15.00 O ATOM 45 CB SER A 369 8.684 -6.351 7.671 1.00 15.00 C ATOM 46 OG SER A 369 9.729 -6.816 6.828 1.00 15.00 O ATOM 0 H SER A 369 9.271 -4.377 6.364 1.00 15.00 H new ATOM 0 HA SER A 369 7.132 -6.251 6.187 1.00 15.00 H new ATOM 0 HB2 SER A 369 9.098 -5.714 8.453 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.209 -7.197 8.168 1.00 15.00 H new ATOM 0 HG SER A 369 10.385 -7.310 7.363 1.00 15.00 H new ATOM 52 N GLY A 370 5.317 -5.102 7.464 1.00 15.00 N ATOM 53 CA GLY A 370 4.266 -4.597 8.325 1.00 15.00 C ATOM 54 C GLY A 370 3.021 -4.208 7.558 1.00 15.00 C ATOM 55 O GLY A 370 1.927 -4.204 8.105 1.00 15.00 O ATOM 0 H GLY A 370 4.994 -5.553 6.608 1.00 15.00 H new ATOM 0 HA2 GLY A 370 4.010 -5.357 9.064 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.636 -3.731 8.873 1.00 15.00 H new ATOM 59 N TRP A 371 3.194 -3.825 6.303 1.00 15.00 N ATOM 60 CA TRP A 371 2.080 -3.504 5.436 1.00 15.00 C ATOM 61 C TRP A 371 1.738 -4.705 4.574 1.00 15.00 C ATOM 62 O TRP A 371 2.597 -5.555 4.336 1.00 15.00 O ATOM 63 CB TRP A 371 2.467 -2.354 4.514 1.00 15.00 C ATOM 64 CG TRP A 371 3.066 -1.160 5.199 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.710 -1.112 6.393 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.059 0.168 4.702 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.130 0.163 6.649 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.732 0.976 5.625 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.545 0.731 3.561 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.902 2.346 5.430 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.695 2.093 3.354 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.372 2.889 4.289 1.00 15.00 C ATOM 0 H TRP A 371 4.108 -3.729 5.861 1.00 15.00 H new ATOM 0 HA TRP A 371 1.224 -3.227 6.052 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.179 -2.725 3.776 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.580 -2.033 3.968 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.867 -1.958 7.046 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.655 0.460 7.471 1.00 15.00 H new ATOM 0 HE3 TRP A 371 2.030 0.121 2.834 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.430 2.955 6.149 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.286 2.546 2.463 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.478 3.948 4.107 1.00 15.00 H new ATOM 83 N GLU A 372 0.508 -4.774 4.073 1.00 15.00 N ATOM 84 CA GLU A 372 0.199 -5.789 3.086 1.00 15.00 C ATOM 85 C GLU A 372 0.244 -5.146 1.714 1.00 15.00 C ATOM 86 O GLU A 372 -0.405 -4.131 1.489 1.00 15.00 O ATOM 87 CB GLU A 372 -1.170 -6.477 3.302 1.00 15.00 C ATOM 88 CG GLU A 372 -1.496 -6.814 4.744 1.00 15.00 C ATOM 89 CD GLU A 372 -0.428 -7.648 5.419 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.374 -8.869 5.176 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.361 -7.080 6.206 1.00 15.00 O ATOM 0 H GLU A 372 -0.265 -4.159 4.327 1.00 15.00 H new ATOM 0 HA GLU A 372 0.944 -6.578 3.184 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.952 -5.827 2.910 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.195 -7.395 2.715 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.633 -5.889 5.304 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.444 -7.352 4.779 1.00 15.00 H new ATOM 98 N GLU A 373 1.027 -5.697 0.803 1.00 15.00 N ATOM 99 CA GLU A 373 1.112 -5.111 -0.520 1.00 15.00 C ATOM 100 C GLU A 373 0.101 -5.716 -1.463 1.00 15.00 C ATOM 101 O GLU A 373 -0.247 -6.894 -1.367 1.00 15.00 O ATOM 102 CB GLU A 373 2.491 -5.248 -1.138 1.00 15.00 C ATOM 103 CG GLU A 373 2.983 -6.682 -1.270 1.00 15.00 C ATOM 104 CD GLU A 373 4.071 -6.831 -2.318 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.759 -6.693 -3.519 1.00 15.00 O ATOM 106 OE2 GLU A 373 5.236 -7.095 -1.952 1.00 15.00 O1- ATOM 0 H GLU A 373 1.599 -6.528 0.950 1.00 15.00 H new ATOM 0 HA GLU A 373 0.899 -4.051 -0.379 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.480 -4.789 -2.126 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.204 -4.687 -0.534 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.363 -7.022 -0.307 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.144 -7.328 -1.528 1.00 15.00 H new ATOM 113 N ARG A 374 -0.318 -4.908 -2.407 1.00 15.00 N ATOM 114 CA ARG A 374 -1.275 -5.338 -3.410 1.00 15.00 C ATOM 115 C ARG A 374 -1.040 -4.620 -4.730 1.00 15.00 C ATOM 116 O ARG A 374 -1.253 -3.410 -4.847 1.00 15.00 O ATOM 117 CB ARG A 374 -2.725 -5.135 -2.955 1.00 15.00 C ATOM 118 CG ARG A 374 -3.246 -6.250 -2.057 1.00 15.00 C ATOM 119 CD ARG A 374 -4.747 -6.444 -2.217 1.00 15.00 C ATOM 120 NE ARG A 374 -5.519 -5.348 -1.642 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.726 -4.984 -2.071 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.300 -5.623 -3.086 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.360 -3.981 -1.480 1.00 15.00 N ATOM 0 H ARG A 374 -0.011 -3.940 -2.506 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.118 -6.407 -3.552 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.800 -4.187 -2.423 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.365 -5.059 -3.834 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.731 -7.181 -2.296 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.018 -6.017 -1.017 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.987 -6.536 -3.276 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.041 -7.380 -1.741 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.110 -4.829 -0.865 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.816 -6.397 -3.541 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.225 -5.339 -3.410 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.923 -3.491 -0.699 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.285 -3.699 -1.806 1.00 15.00 H new ATOM 137 N LYS A 375 -0.562 -5.371 -5.707 1.00 15.00 N ATOM 138 CA LYS A 375 -0.431 -4.874 -7.061 1.00 15.00 C ATOM 139 C LYS A 375 -1.688 -5.242 -7.838 1.00 15.00 C ATOM 140 O LYS A 375 -1.878 -6.404 -8.199 1.00 15.00 O ATOM 141 CB LYS A 375 0.819 -5.473 -7.721 1.00 15.00 C ATOM 142 CG LYS A 375 1.013 -5.087 -9.182 1.00 15.00 C ATOM 143 CD LYS A 375 2.288 -5.708 -9.736 1.00 15.00 C ATOM 144 CE LYS A 375 2.483 -5.411 -11.216 1.00 15.00 C ATOM 145 NZ LYS A 375 2.640 -3.956 -11.488 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.256 -6.336 -5.583 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.318 -3.790 -7.055 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.697 -5.159 -7.157 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.766 -6.559 -7.650 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.156 -5.419 -9.768 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.061 -4.002 -9.274 1.00 15.00 H new ATOM 0 HD2 LYS A 375 3.145 -5.332 -9.177 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.258 -6.787 -9.586 1.00 15.00 H new ATOM 0 HE2 LYS A 375 3.364 -5.942 -11.577 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.629 -5.792 -11.776 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 2.854 -3.812 -12.496 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 1.758 -3.461 -11.247 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 3.418 -3.577 -10.911 1.00 15.00 H new ATOM 159 N ASP A 376 -2.570 -4.274 -8.059 1.00 15.00 N ATOM 160 CA ASP A 376 -3.846 -4.569 -8.685 1.00 15.00 C ATOM 161 C ASP A 376 -3.723 -4.445 -10.199 1.00 15.00 C ATOM 162 O ASP A 376 -3.088 -3.509 -10.704 1.00 15.00 O ATOM 163 CB ASP A 376 -4.942 -3.634 -8.172 1.00 15.00 C ATOM 164 CG ASP A 376 -6.331 -4.132 -8.532 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.700 -4.078 -9.726 1.00 15.00 O ATOM 166 OD2 ASP A 376 -7.054 -4.588 -7.624 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.426 -3.294 -7.817 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.123 -5.591 -8.426 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.860 -3.540 -7.089 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.794 -2.639 -8.591 1.00 15.00 H new ATOM 171 N ALA A 377 -4.375 -5.361 -10.917 1.00 15.00 N ATOM 172 CA ALA A 377 -4.234 -5.470 -12.360 1.00 15.00 C ATOM 173 C ALA A 377 -4.843 -4.278 -13.090 1.00 15.00 C ATOM 174 O ALA A 377 -4.702 -4.149 -14.307 1.00 15.00 O ATOM 175 CB ALA A 377 -4.865 -6.763 -12.843 1.00 15.00 C ATOM 0 H ALA A 377 -5.013 -6.045 -10.510 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.168 -5.476 -12.588 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.756 -6.839 -13.925 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.369 -7.610 -12.368 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.924 -6.770 -12.583 1.00 15.00 H new ATOM 181 N LYS A 378 -5.516 -3.405 -12.350 1.00 15.00 N ATOM 182 CA LYS A 378 -6.064 -2.186 -12.931 1.00 15.00 C ATOM 183 C LYS A 378 -4.958 -1.154 -13.174 1.00 15.00 C ATOM 184 O LYS A 378 -5.216 -0.055 -13.662 1.00 15.00 O ATOM 185 CB LYS A 378 -7.171 -1.611 -12.041 1.00 15.00 C ATOM 186 CG LYS A 378 -6.722 -1.197 -10.647 1.00 15.00 C ATOM 187 CD LYS A 378 -7.920 -0.812 -9.792 1.00 15.00 C ATOM 188 CE LYS A 378 -7.514 -0.134 -8.492 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.648 0.642 -7.918 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.695 -3.517 -11.352 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.505 -2.436 -13.896 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.605 -0.744 -12.540 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.963 -2.353 -11.946 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.180 -2.016 -10.175 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.032 -0.356 -10.716 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.568 -0.144 -10.360 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.503 -1.705 -9.566 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.182 -0.884 -7.775 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.669 0.530 -8.673 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.346 1.095 -7.032 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.947 1.372 -8.595 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.444 0.002 -7.725 1.00 15.00 H new ATOM 203 N GLY A 379 -3.723 -1.532 -12.850 1.00 15.00 N ATOM 204 CA GLY A 379 -2.579 -0.696 -13.156 1.00 15.00 C ATOM 205 C GLY A 379 -2.238 0.276 -12.048 1.00 15.00 C ATOM 206 O GLY A 379 -1.727 1.363 -12.310 1.00 15.00 O ATOM 0 H GLY A 379 -3.496 -2.408 -12.379 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.715 -1.331 -13.352 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.779 -0.138 -14.071 1.00 15.00 H new ATOM 210 N ARG A 380 -2.503 -0.117 -10.810 1.00 15.00 N ATOM 211 CA ARG A 380 -2.208 0.734 -9.666 1.00 15.00 C ATOM 212 C ARG A 380 -1.724 -0.100 -8.473 1.00 15.00 C ATOM 213 O ARG A 380 -2.439 -0.978 -7.985 1.00 15.00 O ATOM 214 CB ARG A 380 -3.433 1.584 -9.292 1.00 15.00 C ATOM 215 CG ARG A 380 -3.473 2.932 -10.010 1.00 15.00 C ATOM 216 CD ARG A 380 -4.837 3.618 -9.909 1.00 15.00 C ATOM 217 NE ARG A 380 -5.850 2.978 -10.755 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.769 2.846 -12.089 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.728 3.309 -12.764 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.751 2.253 -12.751 1.00 15.00 N ATOM 0 H ARG A 380 -2.920 -1.017 -10.573 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.401 1.412 -9.944 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.339 1.027 -9.528 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.435 1.753 -8.215 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.710 3.586 -9.587 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.222 2.786 -11.061 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.172 3.603 -8.872 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.736 4.665 -10.196 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.680 2.604 -10.295 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.967 3.777 -12.271 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.687 3.198 -13.777 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.564 1.899 -12.248 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.694 2.150 -13.764 1.00 15.00 H new ATOM 234 N THR A 381 -0.497 0.167 -8.028 1.00 15.00 N ATOM 235 CA THR A 381 0.110 -0.548 -6.914 1.00 15.00 C ATOM 236 C THR A 381 0.014 0.289 -5.643 1.00 15.00 C ATOM 237 O THR A 381 0.392 1.460 -5.654 1.00 15.00 O ATOM 238 CB THR A 381 1.598 -0.826 -7.213 1.00 15.00 C ATOM 239 OG1 THR A 381 2.276 0.413 -7.454 1.00 15.00 O ATOM 240 CG2 THR A 381 1.759 -1.726 -8.429 1.00 15.00 C ATOM 0 H THR A 381 0.102 0.887 -8.432 1.00 15.00 H new ATOM 0 HA THR A 381 -0.421 -1.490 -6.777 1.00 15.00 H new ATOM 0 HB THR A 381 2.028 -1.332 -6.349 1.00 15.00 H new ATOM 0 HG1 THR A 381 1.872 1.119 -6.907 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.819 -1.903 -8.613 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.259 -2.677 -8.246 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.315 -1.244 -9.300 1.00 15.00 H new ATOM 248 N TYR A 382 -0.481 -0.285 -4.553 1.00 15.00 N ATOM 249 CA TYR A 382 -0.620 0.486 -3.325 1.00 15.00 C ATOM 250 C TYR A 382 -0.183 -0.327 -2.114 1.00 15.00 C ATOM 251 O TYR A 382 -0.292 -1.557 -2.100 1.00 15.00 O ATOM 252 CB TYR A 382 -2.061 0.975 -3.146 1.00 15.00 C ATOM 253 CG TYR A 382 -2.984 0.056 -2.383 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.421 -1.163 -2.892 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.434 0.439 -1.134 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.278 -1.969 -2.162 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.288 -0.350 -0.404 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.711 -1.554 -0.918 1.00 15.00 C ATOM 259 OH TYR A 382 -5.571 -2.344 -0.189 1.00 15.00 O ATOM 0 H TYR A 382 -0.786 -1.257 -4.493 1.00 15.00 H new ATOM 0 HA TYR A 382 0.032 1.356 -3.406 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.036 1.937 -2.635 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.489 1.149 -4.133 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.088 -1.484 -3.868 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.106 1.382 -0.722 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.606 -2.917 -2.563 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.626 -0.027 0.569 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.082 -3.112 0.173 1.00 15.00 H new ATOM 269 N TYR A 383 0.314 0.371 -1.104 1.00 15.00 N ATOM 270 CA TYR A 383 0.742 -0.266 0.131 1.00 15.00 C ATOM 271 C TYR A 383 -0.172 0.159 1.285 1.00 15.00 C ATOM 272 O TYR A 383 -0.490 1.342 1.428 1.00 15.00 O ATOM 273 CB TYR A 383 2.185 0.115 0.448 1.00 15.00 C ATOM 274 CG TYR A 383 3.139 -0.043 -0.707 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.554 -1.297 -1.120 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.639 1.069 -1.371 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.441 -1.443 -2.164 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.527 0.933 -2.419 1.00 15.00 C ATOM 279 CZ TYR A 383 4.929 -0.326 -2.811 1.00 15.00 C ATOM 280 OH TYR A 383 5.817 -0.469 -3.856 1.00 15.00 O ATOM 0 H TYR A 383 0.431 1.384 -1.117 1.00 15.00 H new ATOM 0 HA TYR A 383 0.681 -1.347 0.006 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.209 1.152 0.784 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.535 -0.497 1.279 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.177 -2.175 -0.616 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.328 2.056 -1.063 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.754 -2.429 -2.475 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.904 1.807 -2.929 1.00 15.00 H new ATOM 0 HH TYR A 383 6.061 0.415 -4.201 1.00 15.00 H new ATOM 290 N VAL A 384 -0.576 -0.797 2.115 1.00 15.00 N ATOM 291 CA VAL A 384 -1.493 -0.521 3.219 1.00 15.00 C ATOM 292 C VAL A 384 -0.790 -0.650 4.550 1.00 15.00 C ATOM 293 O VAL A 384 -0.393 -1.745 4.935 1.00 15.00 O ATOM 294 CB VAL A 384 -2.659 -1.510 3.243 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.966 -0.801 3.511 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.704 -2.302 1.964 1.00 15.00 C ATOM 0 H VAL A 384 -0.283 -1.772 2.045 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.857 0.494 3.063 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.501 -2.212 4.062 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.778 -1.528 3.523 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.916 -0.298 4.476 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.148 -0.066 2.727 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.540 -3.001 1.998 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.832 -1.624 1.120 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.773 -2.856 1.846 1.00 15.00 H new ATOM 306 N ASN A 385 -0.671 0.435 5.284 1.00 15.00 N ATOM 307 CA ASN A 385 0.032 0.378 6.547 1.00 15.00 C ATOM 308 C ASN A 385 -0.938 0.181 7.708 1.00 15.00 C ATOM 309 O ASN A 385 -1.846 0.987 7.880 1.00 15.00 O ATOM 310 CB ASN A 385 0.803 1.663 6.807 1.00 15.00 C ATOM 311 CG ASN A 385 1.590 1.560 8.090 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.999 0.345 8.419 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.827 2.546 8.777 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.044 1.351 5.035 1.00 15.00 H new ATOM 0 HA ASN A 385 0.719 -0.466 6.481 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.478 1.863 5.975 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.111 2.503 6.865 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.492 3.464 8.485 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.360 2.449 9.642 1.00 15.00 H new ATOM 320 N HIS A 386 -0.726 -0.847 8.538 1.00 15.00 N ATOM 321 CA HIS A 386 -1.634 -1.109 9.651 1.00 15.00 C ATOM 322 C HIS A 386 -1.202 -0.304 10.852 1.00 15.00 C ATOM 323 O HIS A 386 -1.947 -0.110 11.804 1.00 15.00 O ATOM 324 CB HIS A 386 -1.675 -2.602 10.029 1.00 15.00 C ATOM 325 CG HIS A 386 -1.419 -3.496 8.871 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.609 -3.064 7.591 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.844 -4.714 8.774 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.145 -3.936 6.761 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.683 -4.964 7.439 1.00 15.00 N ATOM 0 H HIS A 386 0.054 -1.499 8.460 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.635 -0.818 9.334 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.933 -2.797 10.803 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.650 -2.838 10.455 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.566 -5.364 9.591 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.137 -3.838 5.685 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.273 -5.807 7.036 1.00 15.00 H new ATOM 338 N ASN A 387 0.009 0.182 10.756 1.00 15.00 N ATOM 339 CA ASN A 387 0.705 0.776 11.860 1.00 15.00 C ATOM 340 C ASN A 387 0.342 2.254 11.992 1.00 15.00 C ATOM 341 O ASN A 387 0.464 2.844 13.061 1.00 15.00 O ATOM 342 CB ASN A 387 2.195 0.567 11.608 1.00 15.00 C ATOM 343 CG ASN A 387 3.075 1.032 12.753 1.00 15.00 C ATOM 344 OD1 ASN A 387 2.678 0.983 13.915 1.00 15.00 O ATOM 345 ND2 ASN A 387 4.283 1.471 12.432 1.00 15.00 N ATOM 0 H ASN A 387 0.546 0.174 9.889 1.00 15.00 H new ATOM 0 HA ASN A 387 0.422 0.312 12.805 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.379 -0.492 11.426 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.480 1.101 10.701 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.922 1.785 13.162 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.574 1.495 11.455 1.00 15.00 H new ATOM 352 N ASN A 388 -0.079 2.851 10.881 1.00 15.00 N ATOM 353 CA ASN A 388 -0.542 4.237 10.882 1.00 15.00 C ATOM 354 C ASN A 388 -1.993 4.333 10.407 1.00 15.00 C ATOM 355 O ASN A 388 -2.632 5.369 10.571 1.00 15.00 O ATOM 356 CB ASN A 388 0.366 5.120 10.019 1.00 15.00 C ATOM 357 CG ASN A 388 0.065 6.602 10.171 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.733 7.169 9.422 1.00 15.00 O ATOM 359 ND2 ASN A 388 0.702 7.240 11.142 1.00 15.00 N ATOM 0 H ASN A 388 -0.110 2.398 9.968 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.496 4.601 11.909 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.406 4.936 10.288 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.253 4.836 8.973 1.00 15.00 H new ATOM 0 HD21 ASN A 388 0.539 8.236 11.290 1.00 15.00 H new ATOM 0 HD22 ASN A 388 1.355 6.735 11.741 1.00 15.00 H new ATOM 366 N ARG A 389 -2.495 3.250 9.792 1.00 15.00 N ATOM 367 CA ARG A 389 -3.848 3.225 9.208 1.00 15.00 C ATOM 368 C ARG A 389 -3.873 4.007 7.901 1.00 15.00 C ATOM 369 O ARG A 389 -4.400 5.116 7.845 1.00 15.00 O ATOM 370 CB ARG A 389 -4.931 3.762 10.169 1.00 15.00 C ATOM 371 CG ARG A 389 -5.430 2.757 11.200 1.00 15.00 C ATOM 372 CD ARG A 389 -4.325 2.280 12.121 1.00 15.00 C ATOM 373 NE ARG A 389 -3.756 3.370 12.912 1.00 15.00 N ATOM 374 CZ ARG A 389 -2.876 3.197 13.899 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.538 1.976 14.297 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -2.354 4.249 14.511 1.00 15.00 N ATOM 0 H ARG A 389 -1.982 2.375 9.686 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.087 2.179 9.017 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.532 4.631 10.693 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.780 4.108 9.579 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.223 3.212 11.793 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.867 1.900 10.687 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -4.717 1.514 12.790 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.537 1.813 11.529 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.050 4.322 12.695 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.952 1.160 13.847 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.864 1.854 15.053 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -2.625 5.191 14.227 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -1.681 4.118 15.266 1.00 15.00 H new ATOM 390 N THR A 390 -3.235 3.470 6.864 1.00 15.00 N ATOM 391 CA THR A 390 -3.060 4.232 5.638 1.00 15.00 C ATOM 392 C THR A 390 -3.080 3.355 4.367 1.00 15.00 C ATOM 393 O THR A 390 -2.680 2.191 4.407 1.00 15.00 O ATOM 394 CB THR A 390 -1.725 5.020 5.724 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.868 6.114 6.638 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.236 5.536 4.373 1.00 15.00 C ATOM 0 H THR A 390 -2.839 2.530 6.849 1.00 15.00 H new ATOM 0 HA THR A 390 -3.907 4.913 5.550 1.00 15.00 H new ATOM 0 HB THR A 390 -0.970 4.319 6.081 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.023 6.608 6.691 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.299 6.077 4.507 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.076 4.695 3.699 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.983 6.205 3.947 1.00 15.00 H new ATOM 404 N THR A 391 -3.556 3.933 3.251 1.00 15.00 N ATOM 405 CA THR A 391 -3.529 3.297 1.946 1.00 15.00 C ATOM 406 C THR A 391 -2.985 4.302 0.917 1.00 15.00 C ATOM 407 O THR A 391 -3.547 5.390 0.762 1.00 15.00 O ATOM 408 CB THR A 391 -4.945 2.846 1.536 1.00 15.00 C ATOM 409 OG1 THR A 391 -4.991 2.581 0.136 1.00 15.00 O ATOM 410 CG2 THR A 391 -5.989 3.898 1.894 1.00 15.00 C ATOM 0 H THR A 391 -3.972 4.864 3.242 1.00 15.00 H new ATOM 0 HA THR A 391 -2.887 2.417 1.986 1.00 15.00 H new ATOM 0 HB THR A 391 -5.176 1.934 2.087 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.826 1.628 -0.022 1.00 15.00 H new ATOM 0 HG21 THR A 391 -6.976 3.549 1.591 1.00 15.00 H new ATOM 0 HG22 THR A 391 -5.979 4.069 2.970 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.759 4.829 1.376 1.00 15.00 H new ATOM 418 N THR A 392 -1.873 3.989 0.249 1.00 15.00 N ATOM 419 CA THR A 392 -1.229 4.989 -0.589 1.00 15.00 C ATOM 420 C THR A 392 -0.479 4.387 -1.784 1.00 15.00 C ATOM 421 O THR A 392 -0.012 3.245 -1.724 1.00 15.00 O ATOM 422 CB THR A 392 -0.281 5.851 0.266 1.00 15.00 C ATOM 423 OG1 THR A 392 0.113 7.024 -0.458 1.00 15.00 O ATOM 424 CG2 THR A 392 0.955 5.069 0.693 1.00 15.00 C ATOM 0 H THR A 392 -1.414 3.078 0.272 1.00 15.00 H new ATOM 0 HA THR A 392 -2.020 5.610 -1.010 1.00 15.00 H new ATOM 0 HB THR A 392 -0.823 6.144 1.165 1.00 15.00 H new ATOM 0 HG1 THR A 392 1.083 7.143 -0.385 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.601 5.709 1.294 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.652 4.203 1.282 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.498 4.735 -0.191 1.00 15.00 H new ATOM 432 N TRP A 393 -0.401 5.155 -2.883 1.00 15.00 N ATOM 433 CA TRP A 393 0.413 4.764 -4.040 1.00 15.00 C ATOM 434 C TRP A 393 1.896 4.887 -3.709 1.00 15.00 C ATOM 435 O TRP A 393 2.727 4.153 -4.241 1.00 15.00 O ATOM 436 CB TRP A 393 0.156 5.649 -5.278 1.00 15.00 C ATOM 437 CG TRP A 393 -1.244 5.658 -5.826 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.881 6.725 -6.397 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.167 4.565 -5.892 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.142 6.366 -6.795 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.341 5.047 -6.496 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.118 3.232 -5.496 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.450 4.241 -6.711 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.222 2.431 -5.711 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.375 2.937 -6.311 1.00 15.00 C ATOM 0 H TRP A 393 -0.889 6.044 -2.992 1.00 15.00 H new ATOM 0 HA TRP A 393 0.132 3.736 -4.267 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.429 6.674 -5.026 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.830 5.326 -6.072 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.452 7.709 -6.517 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.821 6.982 -7.241 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.231 2.831 -5.028 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.342 4.631 -7.179 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.192 1.394 -5.409 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.224 2.286 -6.462 1.00 15.00 H new ATOM 456 N THR A 394 2.218 5.858 -2.863 1.00 15.00 N ATOM 457 CA THR A 394 3.602 6.203 -2.582 1.00 15.00 C ATOM 458 C THR A 394 4.286 5.143 -1.726 1.00 15.00 C ATOM 459 O THR A 394 3.643 4.466 -0.919 1.00 15.00 O ATOM 460 CB THR A 394 3.698 7.581 -1.894 1.00 15.00 C ATOM 461 OG1 THR A 394 2.672 7.713 -0.899 1.00 15.00 O ATOM 462 CG2 THR A 394 3.566 8.701 -2.916 1.00 15.00 C ATOM 0 H THR A 394 1.534 6.422 -2.358 1.00 15.00 H new ATOM 0 HA THR A 394 4.121 6.250 -3.539 1.00 15.00 H new ATOM 0 HB THR A 394 4.674 7.655 -1.415 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.744 8.591 -0.469 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.636 9.664 -2.411 1.00 15.00 H new ATOM 0 HG22 THR A 394 4.366 8.618 -3.652 1.00 15.00 H new ATOM 0 HG23 THR A 394 2.601 8.624 -3.418 1.00 15.00 H new ATOM 470 N ARG A 395 5.590 4.998 -1.915 1.00 15.00 N ATOM 471 CA ARG A 395 6.350 3.988 -1.202 1.00 15.00 C ATOM 472 C ARG A 395 6.481 4.320 0.277 1.00 15.00 C ATOM 473 O ARG A 395 6.573 5.486 0.670 1.00 15.00 O ATOM 474 CB ARG A 395 7.731 3.798 -1.826 1.00 15.00 C ATOM 475 CG ARG A 395 7.741 2.755 -2.926 1.00 15.00 C ATOM 476 CD ARG A 395 9.150 2.275 -3.208 1.00 15.00 C ATOM 477 NE ARG A 395 9.947 3.275 -3.918 1.00 15.00 N ATOM 478 CZ ARG A 395 11.279 3.319 -3.892 1.00 15.00 C ATOM 479 NH1 ARG A 395 11.958 2.516 -3.081 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 11.929 4.192 -4.649 1.00 15.00 N ATOM 0 H ARG A 395 6.141 5.568 -2.556 1.00 15.00 H new ATOM 0 HA ARG A 395 5.797 3.052 -1.288 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.076 4.750 -2.231 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.438 3.507 -1.049 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.117 1.910 -2.636 1.00 15.00 H new ATOM 0 HG3 ARG A 395 7.308 3.175 -3.834 1.00 15.00 H new ATOM 0 HD2 ARG A 395 9.641 2.024 -2.268 1.00 15.00 H new ATOM 0 HD3 ARG A 395 9.108 1.361 -3.800 1.00 15.00 H new ATOM 0 HE ARG A 395 9.454 3.981 -4.466 1.00 15.00 H new ATOM 0 HH11 ARG A 395 11.460 1.863 -2.476 1.00 15.00 H new ATOM 0 HH12 ARG A 395 12.977 2.552 -3.063 1.00 15.00 H new ATOM 0 HH21 ARG A 395 11.410 4.830 -5.252 1.00 15.00 H new ATOM 0 HH22 ARG A 395 12.948 4.225 -4.629 1.00 15.00 H new ATOM 494 N PRO A 396 6.534 3.269 1.103 1.00 15.00 N ATOM 495 CA PRO A 396 6.525 3.377 2.566 1.00 15.00 C ATOM 496 C PRO A 396 7.803 3.970 3.147 1.00 15.00 C ATOM 497 O PRO A 396 8.914 3.566 2.809 1.00 15.00 O ATOM 498 CB PRO A 396 6.398 1.918 3.016 1.00 15.00 C ATOM 499 CG PRO A 396 5.885 1.195 1.824 1.00 15.00 C ATOM 500 CD PRO A 396 6.551 1.866 0.672 1.00 15.00 C ATOM 0 HA PRO A 396 5.730 4.042 2.903 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.360 1.518 3.337 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.715 1.823 3.860 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.133 0.134 1.865 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.800 1.266 1.752 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.564 1.498 0.512 1.00 15.00 H new ATOM 0 HD3 PRO A 396 6.007 1.716 -0.261 1.00 15.00 H new ATOM 616 N PRO B 180 -8.137 6.061 -7.561 1.00 15.00 N ATOM 617 CA PRO B 180 -7.442 5.848 -6.301 1.00 15.00 C ATOM 618 C PRO B 180 -7.529 4.580 -5.504 1.00 15.00 C ATOM 619 O PRO B 180 -8.308 3.653 -5.740 1.00 15.00 O ATOM 620 CB PRO B 180 -8.054 6.967 -5.480 1.00 15.00 C ATOM 621 CG PRO B 180 -7.692 7.987 -6.403 1.00 15.00 C ATOM 622 CD PRO B 180 -8.434 7.509 -7.639 1.00 15.00 C ATOM 0 HA PRO B 180 -6.378 5.804 -6.535 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.129 6.868 -5.332 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.606 7.086 -4.493 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.018 8.975 -6.079 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.615 8.042 -6.560 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.502 7.720 -7.593 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.058 7.965 -8.555 1.00 15.00 H new ATOM 630 N PRO B 181 -6.634 4.625 -4.500 1.00 15.00 N ATOM 631 CA PRO B 181 -6.335 3.549 -3.564 1.00 15.00 C ATOM 632 C PRO B 181 -7.567 2.922 -2.926 1.00 15.00 C ATOM 633 O PRO B 181 -8.504 3.615 -2.522 1.00 15.00 O ATOM 634 CB PRO B 181 -5.489 4.251 -2.484 1.00 15.00 C ATOM 635 CG PRO B 181 -5.612 5.720 -2.754 1.00 15.00 C ATOM 636 CD PRO B 181 -5.843 5.848 -4.189 1.00 15.00 C ATOM 0 HA PRO B 181 -5.841 2.720 -4.070 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.850 4.006 -1.485 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.448 3.931 -2.534 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.435 6.153 -2.186 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.706 6.249 -2.456 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.391 6.758 -4.432 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.908 5.880 -4.749 1.00 15.00 H new ATOM 644 N PRO B 182 -7.556 1.590 -2.822 1.00 15.00 N ATOM 645 CA PRO B 182 -8.543 0.837 -2.050 1.00 15.00 C ATOM 646 C PRO B 182 -8.332 1.088 -0.560 1.00 15.00 C ATOM 647 O PRO B 182 -7.207 1.346 -0.145 1.00 15.00 O ATOM 648 CB PRO B 182 -8.245 -0.633 -2.404 1.00 15.00 C ATOM 649 CG PRO B 182 -7.317 -0.586 -3.578 1.00 15.00 C ATOM 650 CD PRO B 182 -6.572 0.706 -3.459 1.00 15.00 C ATOM 0 HA PRO B 182 -9.572 1.117 -2.274 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.787 -1.153 -1.563 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.161 -1.170 -2.650 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.632 -1.434 -3.569 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.871 -0.633 -4.516 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.672 0.600 -2.854 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.259 1.084 -4.432 1.00 15.00 H new ATOM 658 N GLY B 183 -9.405 1.026 0.226 1.00 15.00 N ATOM 659 CA GLY B 183 -9.336 1.356 1.649 1.00 15.00 C ATOM 660 C GLY B 183 -8.244 0.618 2.422 1.00 15.00 C ATOM 661 O GLY B 183 -7.576 -0.270 1.895 1.00 15.00 O ATOM 0 H GLY B 183 -10.332 0.751 -0.098 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.174 2.429 1.752 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.300 1.134 2.107 1.00 15.00 H new ATOM 665 N TYR B 184 -8.121 0.943 3.702 1.00 15.00 N ATOM 666 CA TYR B 184 -7.033 0.431 4.524 1.00 15.00 C ATOM 667 C TYR B 184 -7.380 -0.909 5.214 1.00 15.00 C ATOM 668 O TYR B 184 -8.412 -1.029 5.877 1.00 15.00 O ATOM 669 CB TYR B 184 -6.620 1.499 5.561 1.00 15.00 C ATOM 670 CG TYR B 184 -6.102 0.921 6.857 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.831 0.385 6.966 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.925 0.891 7.979 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.396 -0.164 8.155 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.494 0.347 9.170 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.228 -0.179 9.253 1.00 15.00 C ATOM 676 OH TYR B 184 -4.795 -0.731 10.439 1.00 15.00 O ATOM 0 H TYR B 184 -8.765 1.562 4.195 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.192 0.220 3.863 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.851 2.137 5.125 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.479 2.135 5.775 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.172 0.396 6.111 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.922 1.302 7.915 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.403 -0.582 8.225 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.146 0.335 10.031 1.00 15.00 H new ATOM 0 HH TYR B 184 -4.081 -0.176 10.816 1.00 15.00 H new ATOM 686 N LEU B 185 -6.477 -1.901 5.056 1.00 15.00 N ATOM 687 CA LEU B 185 -6.628 -3.241 5.605 1.00 15.00 C ATOM 688 C LEU B 185 -7.878 -3.948 5.166 1.00 15.00 C ATOM 689 O LEU B 185 -8.818 -4.175 5.929 1.00 15.00 O ATOM 690 CB LEU B 185 -6.437 -3.309 7.110 1.00 15.00 C ATOM 691 CG LEU B 185 -5.010 -3.578 7.536 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.911 -3.613 9.051 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.521 -4.891 6.941 1.00 15.00 C ATOM 0 H LEU B 185 -5.611 -1.777 4.531 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.801 -3.797 5.164 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.766 -2.368 7.551 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.080 -4.092 7.513 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.376 -2.772 7.166 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.879 -3.807 9.344 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.229 -2.654 9.459 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.553 -4.403 9.439 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.493 -5.072 7.255 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.156 -5.706 7.288 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.563 -4.836 5.853 1.00 15.00 H new ATOM 705 N SER B 186 -7.871 -4.234 3.897 1.00 15.00 N ATOM 706 CA SER B 186 -8.694 -5.246 3.325 1.00 15.00 C ATOM 707 C SER B 186 -7.921 -5.766 2.135 1.00 15.00 C ATOM 708 O SER B 186 -7.922 -5.157 1.067 1.00 15.00 O ATOM 709 CB SER B 186 -10.039 -4.645 2.928 1.00 15.00 C ATOM 710 OG SER B 186 -10.833 -5.554 2.182 1.00 15.00 O ATOM 0 H SER B 186 -7.277 -3.756 3.219 1.00 15.00 H new ATOM 0 HA SER B 186 -8.916 -6.059 4.016 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.580 -4.345 3.825 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.872 -3.743 2.339 1.00 15.00 H new ATOM 0 HG SER B 186 -11.685 -5.130 1.950 1.00 15.00 H new ATOM 716 N GLU B 187 -7.249 -6.890 2.319 1.00 15.00 N ATOM 717 CA GLU B 187 -6.270 -7.332 1.344 1.00 15.00 C ATOM 718 C GLU B 187 -6.632 -8.724 0.859 1.00 15.00 C ATOM 719 O GLU B 187 -6.402 -9.722 1.545 1.00 15.00 O ATOM 720 CB GLU B 187 -4.834 -7.274 1.927 1.00 15.00 C ATOM 721 CG GLU B 187 -4.512 -5.982 2.668 1.00 15.00 C ATOM 722 CD GLU B 187 -4.880 -4.733 1.892 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.528 -4.636 0.696 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.516 -3.838 2.488 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.362 -7.506 3.124 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.285 -6.657 0.488 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.696 -8.114 2.608 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.119 -7.402 1.114 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.041 -5.977 3.621 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.446 -5.958 2.895 1.00 15.00 H new