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 -135:sc= 1.35 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1.09 USER MOD Set 2.1: A 385 ASN :FLIP amide:sc= -6.04! C(o=-11!,f=-8.9!) USER MOD Set 2.2: A 388 ASN : amide:sc= -2.73! C(o=-8.9!,f=-18!) USER MOD Set 2.3: A 390 THR OG1 : rot -140:sc= -0.0884 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+ 136:sc= -0.503 (180deg=-2.39!) USER MOD Single : A 381 THR OG1 : rot 25:sc= 0.99 USER MOD Single : A 382 TYR OH : rot 79:sc= 1.26 USER MOD Single : A 383 TYR OH : rot 165:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -7.18! C(o=-7.2!,f=-12!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 85:sc= 1.15 USER MOD Single : B 184 TYR OH : rot -150:sc= -1.73 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.368 -3.138 3.439 1.00 15.00 N ATOM 28 CA PRO A 368 8.511 -3.137 4.876 1.00 15.00 C ATOM 29 C PRO A 368 7.428 -3.985 5.529 1.00 15.00 C ATOM 30 O PRO A 368 6.234 -3.845 5.240 1.00 15.00 O ATOM 31 CB PRO A 368 8.303 -1.672 5.241 1.00 15.00 C ATOM 32 CG PRO A 368 7.329 -1.195 4.232 1.00 15.00 C ATOM 33 CD PRO A 368 7.641 -1.955 2.975 1.00 15.00 C ATOM 0 HA PRO A 368 9.467 -3.544 5.206 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.916 -1.563 6.254 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.236 -1.111 5.194 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.305 -1.380 4.558 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.424 -0.121 4.074 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.732 -2.231 2.441 1.00 15.00 H new ATOM 0 HD3 PRO A 368 8.245 -1.360 2.290 1.00 15.00 H new ATOM 41 N SER A 369 7.854 -4.851 6.411 1.00 15.00 N ATOM 42 CA SER A 369 6.957 -5.776 7.075 1.00 15.00 C ATOM 43 C SER A 369 6.053 -5.017 8.046 1.00 15.00 C ATOM 44 O SER A 369 6.537 -4.378 8.979 1.00 15.00 O ATOM 45 CB SER A 369 7.773 -6.814 7.837 1.00 15.00 C ATOM 46 OG SER A 369 8.660 -7.499 6.966 1.00 15.00 O ATOM 0 H SER A 369 8.830 -4.939 6.693 1.00 15.00 H new ATOM 0 HA SER A 369 6.338 -6.275 6.330 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.340 -6.326 8.630 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.104 -7.528 8.317 1.00 15.00 H new ATOM 0 HG SER A 369 9.175 -8.159 7.476 1.00 15.00 H new ATOM 52 N GLY A 370 4.744 -5.070 7.820 1.00 15.00 N ATOM 53 CA GLY A 370 3.829 -4.304 8.633 1.00 15.00 C ATOM 54 C GLY A 370 2.719 -3.738 7.791 1.00 15.00 C ATOM 55 O GLY A 370 1.705 -3.274 8.304 1.00 15.00 O ATOM 0 H GLY A 370 4.305 -5.630 7.089 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.412 -4.937 9.416 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.365 -3.495 9.129 1.00 15.00 H new ATOM 59 N TRP A 371 2.957 -3.682 6.490 1.00 15.00 N ATOM 60 CA TRP A 371 1.922 -3.412 5.534 1.00 15.00 C ATOM 61 C TRP A 371 1.637 -4.665 4.729 1.00 15.00 C ATOM 62 O TRP A 371 2.498 -5.540 4.624 1.00 15.00 O ATOM 63 CB TRP A 371 2.380 -2.334 4.569 1.00 15.00 C ATOM 64 CG TRP A 371 3.085 -1.166 5.187 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.803 -1.119 6.338 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.128 0.133 4.647 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.307 0.132 6.528 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.897 0.933 5.496 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.577 0.671 3.520 1.00 15.00 C ATOM 70 CZ2 TRP A 371 4.127 2.283 5.233 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.787 2.012 3.240 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.560 2.807 4.099 1.00 15.00 C ATOM 0 H TRP A 371 3.879 -3.824 6.077 1.00 15.00 H new ATOM 0 HA TRP A 371 1.029 -3.087 6.069 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.044 -2.789 3.834 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.510 -1.964 4.027 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.953 -1.954 7.007 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.893 0.424 7.310 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.985 0.060 2.855 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.727 2.891 5.895 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.352 2.448 2.353 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.711 3.850 3.864 1.00 15.00 H new ATOM 83 N GLU A 372 0.459 -4.745 4.134 1.00 15.00 N ATOM 84 CA GLU A 372 0.201 -5.809 3.189 1.00 15.00 C ATOM 85 C GLU A 372 0.319 -5.237 1.783 1.00 15.00 C ATOM 86 O GLU A 372 -0.285 -4.208 1.481 1.00 15.00 O ATOM 87 CB GLU A 372 -1.172 -6.483 3.409 1.00 15.00 C ATOM 88 CG GLU A 372 -1.464 -6.837 4.859 1.00 15.00 C ATOM 89 CD GLU A 372 -0.327 -7.580 5.526 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.064 -8.656 5.032 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.173 -7.090 6.562 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.316 -4.100 4.286 1.00 15.00 H new ATOM 0 HA GLU A 372 0.939 -6.597 3.338 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.954 -5.817 3.044 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.220 -7.391 2.808 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.670 -5.923 5.416 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.366 -7.448 4.904 1.00 15.00 H new ATOM 98 N GLU A 373 1.112 -5.871 0.929 1.00 15.00 N ATOM 99 CA GLU A 373 1.360 -5.316 -0.393 1.00 15.00 C ATOM 100 C GLU A 373 0.351 -5.806 -1.402 1.00 15.00 C ATOM 101 O GLU A 373 -0.103 -6.950 -1.347 1.00 15.00 O ATOM 102 CB GLU A 373 2.748 -5.651 -0.909 1.00 15.00 C ATOM 103 CG GLU A 373 3.095 -7.134 -0.859 1.00 15.00 C ATOM 104 CD GLU A 373 4.274 -7.493 -1.740 1.00 15.00 C ATOM 105 OE1 GLU A 373 4.131 -7.438 -2.984 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 5.349 -7.833 -1.205 1.00 15.00 O ATOM 0 H GLU A 373 1.586 -6.753 1.123 1.00 15.00 H new ATOM 0 HA GLU A 373 1.273 -4.236 -0.276 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.833 -5.304 -1.939 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.483 -5.098 -0.325 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.318 -7.415 0.170 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.227 -7.716 -1.168 1.00 15.00 H new ATOM 113 N ARG A 374 0.050 -4.946 -2.353 1.00 15.00 N ATOM 114 CA ARG A 374 -0.926 -5.260 -3.385 1.00 15.00 C ATOM 115 C ARG A 374 -0.609 -4.541 -4.684 1.00 15.00 C ATOM 116 O ARG A 374 -0.602 -3.310 -4.742 1.00 15.00 O ATOM 117 CB ARG A 374 -2.346 -4.895 -2.943 1.00 15.00 C ATOM 118 CG ARG A 374 -2.814 -5.649 -1.714 1.00 15.00 C ATOM 119 CD ARG A 374 -4.157 -6.326 -1.943 1.00 15.00 C ATOM 120 NE ARG A 374 -5.257 -5.371 -1.900 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.051 -5.094 -2.934 1.00 15.00 C ATOM 122 NH1 ARG A 374 -5.932 -5.769 -4.074 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -6.988 -4.162 -2.813 1.00 15.00 N ATOM 0 H ARG A 374 0.467 -4.019 -2.436 1.00 15.00 H new ATOM 0 HA ARG A 374 -0.871 -6.336 -3.550 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.390 -3.825 -2.741 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.035 -5.093 -3.764 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.071 -6.399 -1.443 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.893 -4.960 -0.873 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.150 -6.830 -2.910 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.312 -7.093 -1.185 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.431 -4.883 -1.021 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -5.230 -6.504 -4.161 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -6.543 -5.552 -4.861 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.098 -3.661 -1.931 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -7.598 -3.947 -3.602 1.00 15.00 H new ATOM 137 N LYS A 375 -0.339 -5.307 -5.719 1.00 15.00 N ATOM 138 CA LYS A 375 -0.275 -4.760 -7.058 1.00 15.00 C ATOM 139 C LYS A 375 -1.582 -5.098 -7.766 1.00 15.00 C ATOM 140 O LYS A 375 -1.772 -6.225 -8.226 1.00 15.00 O ATOM 141 CB LYS A 375 0.925 -5.318 -7.829 1.00 15.00 C ATOM 142 CG LYS A 375 1.114 -4.683 -9.198 1.00 15.00 C ATOM 143 CD LYS A 375 2.359 -5.208 -9.895 1.00 15.00 C ATOM 144 CE LYS A 375 2.251 -6.691 -10.204 1.00 15.00 C ATOM 145 NZ LYS A 375 3.474 -7.202 -10.874 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.160 -6.309 -5.660 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.143 -3.679 -7.010 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.829 -5.166 -7.239 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.801 -6.394 -7.950 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.239 -4.884 -9.816 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.186 -3.601 -9.090 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.518 -4.655 -10.821 1.00 15.00 H new ATOM 0 HD3 LYS A 375 3.230 -5.031 -9.264 1.00 15.00 H new ATOM 0 HE2 LYS A 375 2.084 -7.244 -9.280 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.385 -6.868 -10.842 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.364 -8.218 -11.070 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 3.619 -6.691 -11.768 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 4.296 -7.056 -10.254 1.00 15.00 H new ATOM 159 N ASP A 376 -2.501 -4.143 -7.809 1.00 15.00 N ATOM 160 CA ASP A 376 -3.858 -4.428 -8.245 1.00 15.00 C ATOM 161 C ASP A 376 -3.988 -4.242 -9.753 1.00 15.00 C ATOM 162 O ASP A 376 -3.407 -3.312 -10.326 1.00 15.00 O ATOM 163 CB ASP A 376 -4.844 -3.520 -7.508 1.00 15.00 C ATOM 164 CG ASP A 376 -6.275 -4.003 -7.621 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.875 -3.845 -8.704 1.00 15.00 O ATOM 166 OD2 ASP A 376 -6.806 -4.540 -6.621 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.332 -3.171 -7.549 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.090 -5.467 -8.009 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.565 -3.465 -6.456 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.772 -2.509 -7.910 1.00 15.00 H new ATOM 171 N ALA A 377 -4.797 -5.099 -10.381 1.00 15.00 N ATOM 172 CA ALA A 377 -4.929 -5.139 -11.835 1.00 15.00 C ATOM 173 C ALA A 377 -5.673 -3.919 -12.377 1.00 15.00 C ATOM 174 O ALA A 377 -5.935 -3.820 -13.578 1.00 15.00 O ATOM 175 CB ALA A 377 -5.635 -6.418 -12.253 1.00 15.00 C ATOM 0 H ALA A 377 -5.377 -5.783 -9.895 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.926 -5.120 -12.261 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.731 -6.443 -13.339 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -5.055 -7.279 -11.920 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.626 -6.451 -11.800 1.00 15.00 H new ATOM 181 N LYS A 378 -6.017 -3.001 -11.486 1.00 15.00 N ATOM 182 CA LYS A 378 -6.588 -1.721 -11.879 1.00 15.00 C ATOM 183 C LYS A 378 -5.509 -0.830 -12.498 1.00 15.00 C ATOM 184 O LYS A 378 -5.794 0.244 -13.022 1.00 15.00 O ATOM 185 CB LYS A 378 -7.223 -1.037 -10.660 1.00 15.00 C ATOM 186 CG LYS A 378 -6.225 -0.684 -9.563 1.00 15.00 C ATOM 187 CD LYS A 378 -6.891 -0.466 -8.204 1.00 15.00 C ATOM 188 CE LYS A 378 -7.734 0.804 -8.141 1.00 15.00 C ATOM 189 NZ LYS A 378 -9.018 0.679 -8.880 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.910 -3.120 -10.479 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.363 -1.889 -12.627 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.726 -0.127 -10.987 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.988 -1.693 -10.245 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.488 -1.483 -9.478 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.684 0.219 -9.847 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -7.522 -1.324 -7.975 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.122 -0.421 -7.433 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.942 1.046 -7.099 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -7.162 1.635 -8.553 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.788 1.082 -8.309 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.951 1.192 -9.782 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.215 -0.325 -9.067 1.00 15.00 H new ATOM 203 N GLY A 379 -4.265 -1.301 -12.448 1.00 15.00 N ATOM 204 CA GLY A 379 -3.151 -0.535 -12.973 1.00 15.00 C ATOM 205 C GLY A 379 -2.543 0.362 -11.919 1.00 15.00 C ATOM 206 O GLY A 379 -1.854 1.336 -12.226 1.00 15.00 O ATOM 0 H GLY A 379 -4.010 -2.205 -12.050 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.390 -1.215 -13.355 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.490 0.070 -13.814 1.00 15.00 H new ATOM 210 N ARG A 380 -2.787 0.014 -10.666 1.00 15.00 N ATOM 211 CA ARG A 380 -2.328 0.809 -9.540 1.00 15.00 C ATOM 212 C ARG A 380 -1.944 -0.089 -8.364 1.00 15.00 C ATOM 213 O ARG A 380 -2.789 -0.791 -7.805 1.00 15.00 O ATOM 214 CB ARG A 380 -3.413 1.812 -9.128 1.00 15.00 C ATOM 215 CG ARG A 380 -3.319 3.158 -9.842 1.00 15.00 C ATOM 216 CD ARG A 380 -4.665 3.882 -9.883 1.00 15.00 C ATOM 217 NE ARG A 380 -5.518 3.378 -10.961 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.294 3.579 -12.263 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.233 4.263 -12.672 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.133 3.083 -13.161 1.00 15.00 N ATOM 0 H ARG A 380 -3.306 -0.823 -10.402 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.439 1.363 -9.843 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.392 1.375 -9.327 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.350 1.978 -8.053 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.585 3.786 -9.336 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.959 3.004 -10.859 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.174 3.758 -8.927 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.499 4.951 -10.019 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.341 2.835 -10.700 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.577 4.642 -11.990 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.074 4.409 -13.669 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.948 2.549 -12.858 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.964 3.235 -14.155 1.00 15.00 H new ATOM 234 N THR A 381 -0.663 -0.090 -8.014 1.00 15.00 N ATOM 235 CA THR A 381 -0.183 -0.852 -6.870 1.00 15.00 C ATOM 236 C THR A 381 -0.169 0.037 -5.630 1.00 15.00 C ATOM 237 O THR A 381 0.157 1.223 -5.715 1.00 15.00 O ATOM 238 CB THR A 381 1.231 -1.433 -7.128 1.00 15.00 C ATOM 239 OG1 THR A 381 1.669 -2.210 -6.004 1.00 15.00 O ATOM 240 CG2 THR A 381 2.244 -0.330 -7.412 1.00 15.00 C ATOM 0 H THR A 381 0.062 0.430 -8.508 1.00 15.00 H new ATOM 0 HA THR A 381 -0.861 -1.690 -6.710 1.00 15.00 H new ATOM 0 HB THR A 381 1.165 -2.074 -8.007 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.889 -2.546 -5.515 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.224 -0.773 -7.588 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.935 0.230 -8.295 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.298 0.343 -6.556 1.00 15.00 H new ATOM 248 N TYR A 382 -0.536 -0.523 -4.484 1.00 15.00 N ATOM 249 CA TYR A 382 -0.634 0.265 -3.270 1.00 15.00 C ATOM 250 C TYR A 382 -0.208 -0.543 -2.056 1.00 15.00 C ATOM 251 O TYR A 382 -0.344 -1.771 -2.024 1.00 15.00 O ATOM 252 CB TYR A 382 -2.055 0.810 -3.095 1.00 15.00 C ATOM 253 CG TYR A 382 -3.026 -0.096 -2.374 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.421 -1.319 -2.901 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.561 0.297 -1.161 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.323 -2.122 -2.231 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.463 -0.493 -0.488 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.843 -1.706 -1.024 1.00 15.00 C ATOM 259 OH TYR A 382 -5.749 -2.501 -0.357 1.00 15.00 O ATOM 0 H TYR A 382 -0.768 -1.510 -4.373 1.00 15.00 H new ATOM 0 HA TYR A 382 0.048 1.111 -3.360 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -1.997 1.753 -2.552 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.461 1.034 -4.081 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.017 -1.646 -3.848 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.264 1.243 -0.734 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.620 -3.072 -2.651 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.872 -0.165 0.456 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.273 -3.220 0.109 1.00 15.00 H new ATOM 269 N TYR A 383 0.324 0.155 -1.070 1.00 15.00 N ATOM 270 CA TYR A 383 0.769 -0.467 0.162 1.00 15.00 C ATOM 271 C TYR A 383 -0.111 0.005 1.321 1.00 15.00 C ATOM 272 O TYR A 383 -0.349 1.205 1.472 1.00 15.00 O ATOM 273 CB TYR A 383 2.227 -0.098 0.427 1.00 15.00 C ATOM 274 CG TYR A 383 3.151 -0.345 -0.742 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.614 -1.621 -1.036 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.565 0.705 -1.551 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.462 -1.842 -2.103 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.412 0.491 -2.619 1.00 15.00 C ATOM 279 CZ TYR A 383 4.858 -0.784 -2.891 1.00 15.00 C ATOM 280 OH TYR A 383 5.704 -0.999 -3.955 1.00 15.00 O ATOM 0 H TYR A 383 0.459 1.166 -1.101 1.00 15.00 H new ATOM 0 HA TYR A 383 0.689 -1.550 0.072 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.279 0.956 0.701 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.584 -0.668 1.285 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.306 -2.453 -0.420 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.218 1.706 -1.341 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.813 -2.840 -2.319 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.724 1.319 -3.239 1.00 15.00 H new ATOM 0 HH TYR A 383 5.697 -0.215 -4.543 1.00 15.00 H new ATOM 290 N VAL A 384 -0.589 -0.924 2.142 1.00 15.00 N ATOM 291 CA VAL A 384 -1.497 -0.577 3.231 1.00 15.00 C ATOM 292 C VAL A 384 -0.804 -0.666 4.577 1.00 15.00 C ATOM 293 O VAL A 384 -0.496 -1.756 5.040 1.00 15.00 O ATOM 294 CB VAL A 384 -2.710 -1.511 3.280 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.981 -0.705 3.372 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.728 -2.438 2.087 1.00 15.00 C ATOM 0 H VAL A 384 -0.365 -1.917 2.076 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.821 0.445 3.035 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.636 -2.133 4.172 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.837 -1.379 3.406 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.961 -0.097 4.276 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.064 -0.056 2.500 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.599 -3.090 2.146 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.776 -1.850 1.170 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.821 -3.043 2.083 1.00 15.00 H new ATOM 306 N ASN A 385 -0.591 0.462 5.228 1.00 15.00 N ATOM 307 CA ASN A 385 0.134 0.460 6.485 1.00 15.00 C ATOM 308 C ASN A 385 -0.814 0.304 7.673 1.00 15.00 C ATOM 309 O ASN A 385 -1.723 1.106 7.829 1.00 15.00 O ATOM 310 CB ASN A 385 0.899 1.765 6.676 1.00 15.00 C ATOM 311 CG ASN A 385 1.779 1.702 7.908 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.186 0.496 8.272 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 2.087 2.710 8.531 1.00 15.00 N flip ATOM 0 H ASN A 385 -0.905 1.380 4.913 1.00 15.00 H new ATOM 0 HA ASN A 385 0.824 -0.383 6.444 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.512 1.964 5.797 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.196 2.593 6.769 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.755 3.623 8.221 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.676 2.637 9.360 1.00 15.00 H new ATOM 320 N HIS A 386 -0.591 -0.695 8.535 1.00 15.00 N ATOM 321 CA HIS A 386 -1.464 -0.892 9.695 1.00 15.00 C ATOM 322 C HIS A 386 -0.964 -0.042 10.842 1.00 15.00 C ATOM 323 O HIS A 386 -1.657 0.189 11.827 1.00 15.00 O ATOM 324 CB HIS A 386 -1.525 -2.370 10.140 1.00 15.00 C ATOM 325 CG HIS A 386 -1.331 -3.321 9.012 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.526 -2.931 7.718 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.793 -4.558 8.952 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.095 -3.848 6.914 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.655 -4.862 7.626 1.00 15.00 N ATOM 0 H HIS A 386 0.172 -1.367 8.454 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.472 -0.596 9.406 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.760 -2.549 10.896 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.489 -2.563 10.610 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.524 -5.185 9.789 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.096 -3.790 5.836 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.274 -5.731 7.251 1.00 15.00 H new ATOM 338 N ASN A 387 0.255 0.421 10.667 1.00 15.00 N ATOM 339 CA ASN A 387 1.003 1.098 11.695 1.00 15.00 C ATOM 340 C ASN A 387 0.530 2.543 11.859 1.00 15.00 C ATOM 341 O ASN A 387 0.501 3.075 12.968 1.00 15.00 O ATOM 342 CB ASN A 387 2.474 1.019 11.300 1.00 15.00 C ATOM 343 CG ASN A 387 3.416 1.623 12.327 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.726 2.812 12.275 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.890 0.806 13.251 1.00 15.00 N ATOM 0 H ASN A 387 0.761 0.333 9.786 1.00 15.00 H new ATOM 0 HA ASN A 387 0.851 0.624 12.665 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.743 -0.026 11.143 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.613 1.530 10.348 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.539 1.155 13.957 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.607 -0.174 13.259 1.00 15.00 H new ATOM 352 N ASN A 388 0.169 3.175 10.748 1.00 15.00 N ATOM 353 CA ASN A 388 -0.396 4.521 10.782 1.00 15.00 C ATOM 354 C ASN A 388 -1.837 4.507 10.277 1.00 15.00 C ATOM 355 O ASN A 388 -2.566 5.485 10.448 1.00 15.00 O ATOM 356 CB ASN A 388 0.452 5.506 9.961 1.00 15.00 C ATOM 357 CG ASN A 388 0.221 5.405 8.463 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.089 4.338 7.934 1.00 15.00 O ATOM 359 ND2 ASN A 388 0.368 6.521 7.770 1.00 15.00 N ATOM 0 H ASN A 388 0.257 2.778 9.813 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.390 4.860 11.818 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.230 6.522 10.287 1.00 15.00 H new ATOM 0 HB3 ASN A 388 1.507 5.327 10.171 1.00 15.00 H new ATOM 0 HD21 ASN A 388 0.224 6.517 6.760 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.626 7.386 8.245 1.00 15.00 H new ATOM 366 N ARG A 389 -2.215 3.395 9.623 1.00 15.00 N ATOM 367 CA ARG A 389 -3.561 3.198 9.072 1.00 15.00 C ATOM 368 C ARG A 389 -3.735 3.939 7.749 1.00 15.00 C ATOM 369 O ARG A 389 -4.411 4.965 7.685 1.00 15.00 O ATOM 370 CB ARG A 389 -4.663 3.594 10.062 1.00 15.00 C ATOM 371 CG ARG A 389 -4.589 2.863 11.393 1.00 15.00 C ATOM 372 CD ARG A 389 -5.736 3.264 12.301 1.00 15.00 C ATOM 373 NE ARG A 389 -5.790 4.711 12.504 1.00 15.00 N ATOM 374 CZ ARG A 389 -6.901 5.378 12.812 1.00 15.00 C ATOM 375 NH1 ARG A 389 -8.046 4.725 12.969 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -6.864 6.694 12.965 1.00 15.00 N ATOM 0 H ARG A 389 -1.590 2.605 9.463 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.664 2.129 8.884 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.605 4.667 10.245 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.634 3.400 9.606 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -4.615 1.787 11.222 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -3.640 3.085 11.881 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -6.677 2.922 11.870 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -5.628 2.766 13.264 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.925 5.242 12.404 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -8.075 3.712 12.854 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.896 5.236 13.205 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -5.984 7.197 12.847 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.715 7.204 13.201 1.00 15.00 H new ATOM 390 N THR A 390 -3.071 3.459 6.703 1.00 15.00 N ATOM 391 CA THR A 390 -3.061 4.177 5.438 1.00 15.00 C ATOM 392 C THR A 390 -3.143 3.250 4.206 1.00 15.00 C ATOM 393 O THR A 390 -2.668 2.116 4.248 1.00 15.00 O ATOM 394 CB THR A 390 -1.776 5.042 5.362 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.942 6.226 6.147 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.377 5.419 3.936 1.00 15.00 C ATOM 0 H THR A 390 -2.540 2.588 6.706 1.00 15.00 H new ATOM 0 HA THR A 390 -3.955 4.801 5.412 1.00 15.00 H new ATOM 0 HB THR A 390 -0.966 4.430 5.759 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.544 6.989 5.677 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.470 6.023 3.960 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.194 4.513 3.358 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.181 5.990 3.472 1.00 15.00 H new ATOM 404 N THR A 391 -3.756 3.753 3.120 1.00 15.00 N ATOM 405 CA THR A 391 -3.760 3.102 1.824 1.00 15.00 C ATOM 406 C THR A 391 -3.199 4.091 0.792 1.00 15.00 C ATOM 407 O THR A 391 -3.792 5.148 0.571 1.00 15.00 O ATOM 408 CB THR A 391 -5.196 2.690 1.432 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.272 2.452 0.028 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.200 3.764 1.835 1.00 15.00 C ATOM 0 H THR A 391 -4.266 4.636 3.132 1.00 15.00 H new ATOM 0 HA THR A 391 -3.148 2.201 1.859 1.00 15.00 H new ATOM 0 HB THR A 391 -5.445 1.772 1.964 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.988 1.534 -0.164 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.204 3.450 1.548 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.161 3.912 2.914 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.954 4.699 1.331 1.00 15.00 H new ATOM 418 N THR A 392 -2.047 3.800 0.191 1.00 15.00 N ATOM 419 CA THR A 392 -1.372 4.820 -0.594 1.00 15.00 C ATOM 420 C THR A 392 -0.547 4.251 -1.750 1.00 15.00 C ATOM 421 O THR A 392 -0.059 3.118 -1.685 1.00 15.00 O ATOM 422 CB THR A 392 -0.476 5.674 0.317 1.00 15.00 C ATOM 423 OG1 THR A 392 0.018 6.813 -0.401 1.00 15.00 O ATOM 424 CG2 THR A 392 0.690 4.861 0.866 1.00 15.00 C ATOM 0 H THR A 392 -1.577 2.896 0.231 1.00 15.00 H new ATOM 0 HA THR A 392 -2.153 5.435 -1.042 1.00 15.00 H new ATOM 0 HB THR A 392 -1.080 6.013 1.158 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.975 6.923 -0.221 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.305 5.493 1.506 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.307 4.021 1.446 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.293 4.486 0.039 1.00 15.00 H new ATOM 432 N TRP A 393 -0.425 5.044 -2.820 1.00 15.00 N ATOM 433 CA TRP A 393 0.458 4.711 -3.936 1.00 15.00 C ATOM 434 C TRP A 393 1.918 4.907 -3.534 1.00 15.00 C ATOM 435 O TRP A 393 2.824 4.306 -4.116 1.00 15.00 O ATOM 436 CB TRP A 393 0.216 5.612 -5.161 1.00 15.00 C ATOM 437 CG TRP A 393 -1.176 5.642 -5.728 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.769 6.712 -6.339 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.135 4.580 -5.773 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.029 6.379 -6.762 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.278 5.077 -6.424 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.144 3.261 -5.329 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.408 4.300 -6.643 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.268 2.489 -5.545 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.385 3.010 -6.199 1.00 15.00 C ATOM 0 H TRP A 393 -0.930 5.923 -2.934 1.00 15.00 H new ATOM 0 HA TRP A 393 0.243 3.673 -4.191 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.493 6.631 -4.891 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.896 5.296 -5.952 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.310 7.681 -6.469 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.675 7.000 -7.249 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.284 2.847 -4.823 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.274 4.703 -7.147 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.283 1.465 -5.202 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.248 2.380 -6.357 1.00 15.00 H new ATOM 456 N THR A 394 2.138 5.789 -2.564 1.00 15.00 N ATOM 457 CA THR A 394 3.480 6.237 -2.227 1.00 15.00 C ATOM 458 C THR A 394 4.292 5.135 -1.564 1.00 15.00 C ATOM 459 O THR A 394 3.748 4.262 -0.885 1.00 15.00 O ATOM 460 CB THR A 394 3.444 7.476 -1.308 1.00 15.00 C ATOM 461 OG1 THR A 394 2.641 7.213 -0.149 1.00 15.00 O ATOM 462 CG2 THR A 394 2.891 8.682 -2.051 1.00 15.00 C ATOM 0 H THR A 394 1.400 6.207 -1.997 1.00 15.00 H new ATOM 0 HA THR A 394 3.964 6.507 -3.166 1.00 15.00 H new ATOM 0 HB THR A 394 4.465 7.695 -0.995 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.627 8.006 0.426 1.00 15.00 H new ATOM 0 HG21 THR A 394 2.875 9.544 -1.384 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.523 8.901 -2.911 1.00 15.00 H new ATOM 0 HG23 THR A 394 1.878 8.467 -2.391 1.00 15.00 H new ATOM 470 N ARG A 395 5.599 5.184 -1.771 1.00 15.00 N ATOM 471 CA ARG A 395 6.495 4.196 -1.203 1.00 15.00 C ATOM 472 C ARG A 395 6.587 4.364 0.305 1.00 15.00 C ATOM 473 O ARG A 395 6.535 5.482 0.823 1.00 15.00 O ATOM 474 CB ARG A 395 7.880 4.292 -1.843 1.00 15.00 C ATOM 475 CG ARG A 395 7.883 3.903 -3.311 1.00 15.00 C ATOM 476 CD ARG A 395 7.152 2.587 -3.528 1.00 15.00 C ATOM 477 NE ARG A 395 7.190 2.164 -4.929 1.00 15.00 N ATOM 478 CZ ARG A 395 6.130 2.158 -5.742 1.00 15.00 C ATOM 479 NH1 ARG A 395 4.938 2.561 -5.305 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 6.265 1.757 -6.998 1.00 15.00 N ATOM 0 H ARG A 395 6.061 5.901 -2.330 1.00 15.00 H new ATOM 0 HA ARG A 395 6.091 3.206 -1.413 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.251 5.312 -1.742 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.571 3.647 -1.300 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.408 4.688 -3.900 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.910 3.815 -3.666 1.00 15.00 H new ATOM 0 HD2 ARG A 395 7.602 1.815 -2.904 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.115 2.691 -3.209 1.00 15.00 H new ATOM 0 HE ARG A 395 8.084 1.854 -5.309 1.00 15.00 H new ATOM 0 HH11 ARG A 395 4.828 2.878 -4.342 1.00 15.00 H new ATOM 0 HH12 ARG A 395 4.135 2.553 -5.934 1.00 15.00 H new ATOM 0 HH21 ARG A 395 7.176 1.454 -7.341 1.00 15.00 H new ATOM 0 HH22 ARG A 395 5.457 1.751 -7.621 1.00 15.00 H new ATOM 494 N PRO A 396 6.749 3.252 1.023 1.00 15.00 N ATOM 495 CA PRO A 396 6.744 3.238 2.484 1.00 15.00 C ATOM 496 C PRO A 396 7.969 3.909 3.097 1.00 15.00 C ATOM 497 O PRO A 396 9.101 3.465 2.916 1.00 15.00 O ATOM 498 CB PRO A 396 6.744 1.741 2.820 1.00 15.00 C ATOM 499 CG PRO A 396 6.317 1.064 1.566 1.00 15.00 C ATOM 500 CD PRO A 396 6.890 1.900 0.471 1.00 15.00 C ATOM 0 HA PRO A 396 5.895 3.792 2.883 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.734 1.407 3.132 1.00 15.00 H new ATOM 0 HB3 PRO A 396 6.060 1.521 3.640 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.691 0.041 1.521 1.00 15.00 H new ATOM 0 HG3 PRO A 396 5.231 1.009 1.496 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.930 1.648 0.266 1.00 15.00 H new ATOM 0 HD3 PRO A 396 6.343 1.781 -0.464 1.00 15.00 H new ATOM 616 N PRO B 180 -8.279 6.030 -7.760 1.00 15.00 N ATOM 617 CA PRO B 180 -7.653 5.783 -6.468 1.00 15.00 C ATOM 618 C PRO B 180 -7.680 4.461 -5.762 1.00 15.00 C ATOM 619 O PRO B 180 -8.362 3.493 -6.109 1.00 15.00 O ATOM 620 CB PRO B 180 -8.387 6.798 -5.615 1.00 15.00 C ATOM 621 CG PRO B 180 -8.056 7.896 -6.454 1.00 15.00 C ATOM 622 CD PRO B 180 -8.707 7.448 -7.752 1.00 15.00 C ATOM 0 HA PRO B 180 -6.577 5.832 -6.638 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.458 6.613 -5.532 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.999 6.885 -4.600 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.464 8.838 -6.087 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.979 8.033 -6.554 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.791 7.559 -7.737 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.342 8.001 -8.617 1.00 15.00 H new ATOM 630 N PRO B 181 -6.863 4.512 -4.690 1.00 15.00 N ATOM 631 CA PRO B 181 -6.571 3.411 -3.782 1.00 15.00 C ATOM 632 C PRO B 181 -7.806 2.696 -3.250 1.00 15.00 C ATOM 633 O PRO B 181 -8.819 3.320 -2.920 1.00 15.00 O ATOM 634 CB PRO B 181 -5.837 4.098 -2.618 1.00 15.00 C ATOM 635 CG PRO B 181 -5.979 5.573 -2.839 1.00 15.00 C ATOM 636 CD PRO B 181 -6.161 5.760 -4.276 1.00 15.00 C ATOM 0 HA PRO B 181 -6.004 2.633 -4.294 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.268 3.806 -1.661 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.786 3.808 -2.596 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.831 5.968 -2.285 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.095 6.105 -2.487 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.753 6.648 -4.496 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.208 5.877 -4.792 1.00 15.00 H new ATOM 644 N PRO B 182 -7.706 1.368 -3.143 1.00 15.00 N ATOM 645 CA PRO B 182 -8.666 0.544 -2.412 1.00 15.00 C ATOM 646 C PRO B 182 -8.521 0.815 -0.917 1.00 15.00 C ATOM 647 O PRO B 182 -7.438 1.187 -0.475 1.00 15.00 O ATOM 648 CB PRO B 182 -8.251 -0.898 -2.755 1.00 15.00 C ATOM 649 CG PRO B 182 -7.304 -0.777 -3.903 1.00 15.00 C ATOM 650 CD PRO B 182 -6.643 0.555 -3.743 1.00 15.00 C ATOM 0 HA PRO B 182 -9.705 0.743 -2.673 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.775 -1.383 -1.903 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.117 -1.503 -3.023 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.570 -1.582 -3.892 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.832 -0.840 -4.855 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.765 0.497 -3.100 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.312 0.961 -4.699 1.00 15.00 H new ATOM 658 N GLY B 183 -9.608 0.674 -0.161 1.00 15.00 N ATOM 659 CA GLY B 183 -9.604 1.020 1.260 1.00 15.00 C ATOM 660 C GLY B 183 -8.445 0.413 2.048 1.00 15.00 C ATOM 661 O GLY B 183 -7.729 -0.458 1.557 1.00 15.00 O ATOM 0 H GLY B 183 -10.501 0.323 -0.507 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.567 2.105 1.358 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.543 0.691 1.705 1.00 15.00 H new ATOM 665 N TYR B 184 -8.307 0.820 3.302 1.00 15.00 N ATOM 666 CA TYR B 184 -7.157 0.426 4.104 1.00 15.00 C ATOM 667 C TYR B 184 -7.405 -0.895 4.864 1.00 15.00 C ATOM 668 O TYR B 184 -8.367 -1.013 5.625 1.00 15.00 O ATOM 669 CB TYR B 184 -6.755 1.567 5.069 1.00 15.00 C ATOM 670 CG TYR B 184 -6.144 1.090 6.368 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.868 0.554 6.424 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.878 1.162 7.546 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.341 0.108 7.618 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.357 0.717 8.742 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.088 0.191 8.774 1.00 15.00 C ATOM 676 OH TYR B 184 -4.559 -0.247 9.967 1.00 15.00 O ATOM 0 H TYR B 184 -8.975 1.421 3.785 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.326 0.243 3.423 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.044 2.222 4.564 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.637 2.167 5.293 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.279 0.484 5.522 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.876 1.575 7.524 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.344 -0.306 7.647 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.942 0.781 9.648 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.281 -0.570 10.546 1.00 15.00 H new ATOM 686 N LEU B 185 -6.512 -1.883 4.633 1.00 15.00 N ATOM 687 CA LEU B 185 -6.587 -3.205 5.236 1.00 15.00 C ATOM 688 C LEU B 185 -7.773 -4.010 4.779 1.00 15.00 C ATOM 689 O LEU B 185 -8.756 -4.210 5.496 1.00 15.00 O ATOM 690 CB LEU B 185 -6.432 -3.200 6.750 1.00 15.00 C ATOM 691 CG LEU B 185 -4.999 -3.348 7.216 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.922 -3.287 8.732 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.417 -4.656 6.703 1.00 15.00 C ATOM 0 H LEU B 185 -5.712 -1.769 4.011 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.709 -3.726 4.854 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.839 -2.269 7.145 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.027 -4.011 7.170 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.413 -2.522 6.813 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.885 -3.395 9.048 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.309 -2.328 9.078 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.518 -4.094 9.159 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.386 -4.754 7.043 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.006 -5.490 7.084 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.442 -4.663 5.613 1.00 15.00 H new ATOM 705 N SER B 186 -7.680 -4.398 3.531 1.00 15.00 N ATOM 706 CA SER B 186 -8.508 -5.424 2.976 1.00 15.00 C ATOM 707 C SER B 186 -7.695 -6.119 1.899 1.00 15.00 C ATOM 708 O SER B 186 -7.570 -5.632 0.774 1.00 15.00 O ATOM 709 CB SER B 186 -9.787 -4.809 2.410 1.00 15.00 C ATOM 710 OG SER B 186 -10.585 -5.773 1.736 1.00 15.00 O ATOM 0 H SER B 186 -7.015 -4.000 2.868 1.00 15.00 H new ATOM 0 HA SER B 186 -8.811 -6.148 3.733 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.364 -4.362 3.220 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.529 -4.005 1.721 1.00 15.00 H new ATOM 0 HG SER B 186 -11.394 -5.343 1.389 1.00 15.00 H new ATOM 716 N GLU B 187 -7.133 -7.257 2.264 1.00 15.00 N ATOM 717 CA GLU B 187 -6.217 -7.972 1.400 1.00 15.00 C ATOM 718 C GLU B 187 -6.708 -9.387 1.154 1.00 15.00 C ATOM 719 O GLU B 187 -6.645 -10.251 2.032 1.00 15.00 O ATOM 720 CB GLU B 187 -4.782 -7.961 1.972 1.00 15.00 C ATOM 721 CG GLU B 187 -3.934 -6.790 1.509 1.00 15.00 C ATOM 722 CD GLU B 187 -4.541 -5.428 1.803 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.679 -5.073 2.995 1.00 15.00 O ATOM 724 OE2 GLU B 187 -4.863 -4.703 0.833 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.299 -7.708 3.164 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.185 -7.457 0.440 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.837 -7.946 3.060 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.284 -8.889 1.691 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -2.957 -6.851 1.988 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.768 -6.878 0.435 1.00 15.00 H new