USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 338 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 392 THR OG1 : rot -130:sc= 0.845 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.659 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.529 K(o=0.089,f=-5.1!) USER MOD Set 2.2: B 211 TYR OH : rot 149:sc= -0.44 USER MOD Set 3.1: A 385 ASN : amide:sc= -1.17! C(o=-1.2!,f=-7.1!) USER MOD Set 3.2: A 388 ASN : amide:sc= -0.062 K(o=-1.2,f=-13!) USER MOD Single : A 369 SER OG : rot 28:sc= 0.144 USER MOD Single : A 375 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0155) USER MOD Single : A 378 LYS NZ :NH3+ 162:sc= 1.9 (180deg=0.442!) USER MOD Single : A 381 THR OG1 : rot 46:sc= 0.462 USER MOD Single : A 382 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc=-0.000959 K(o=-0.00096,f=-1.1) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 38:sc= 0.125 USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 30:sc= 0.273 USER MOD Single : B 216 MET CE :methyl 159:sc= -0.2 (180deg=-0.748) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -13.144 1.613 -0.153 1.00 15.00 N ATOM 25 CA LEU A 367 -11.957 2.458 -0.160 1.00 15.00 C ATOM 26 C LEU A 367 -12.015 3.407 1.032 1.00 15.00 C ATOM 27 O LEU A 367 -12.870 4.293 1.082 1.00 15.00 O ATOM 28 CB LEU A 367 -11.867 3.252 -1.477 1.00 15.00 C ATOM 29 CG LEU A 367 -10.519 3.938 -1.790 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.542 4.484 -3.202 1.00 15.00 C ATOM 31 CD2 LEU A 367 -10.219 5.076 -0.824 1.00 15.00 C ATOM 0 HA LEU A 367 -11.067 1.833 -0.083 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.101 2.574 -2.298 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.642 4.018 -1.465 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.737 3.186 -1.682 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.590 4.968 -3.421 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.704 3.667 -3.905 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -11.349 5.211 -3.298 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -9.262 5.529 -1.082 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -11.006 5.827 -0.891 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.174 4.687 0.193 1.00 15.00 H new ATOM 43 N PRO A 368 -11.129 3.222 2.018 1.00 15.00 N ATOM 44 CA PRO A 368 -11.012 4.129 3.146 1.00 15.00 C ATOM 45 C PRO A 368 -10.013 5.253 2.868 1.00 15.00 C ATOM 46 O PRO A 368 -8.903 5.010 2.387 1.00 15.00 O ATOM 47 CB PRO A 368 -10.513 3.223 4.272 1.00 15.00 C ATOM 48 CG PRO A 368 -9.880 2.034 3.610 1.00 15.00 C ATOM 49 CD PRO A 368 -10.191 2.098 2.134 1.00 15.00 C ATOM 0 HA PRO A 368 -11.951 4.632 3.378 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.793 3.746 4.901 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.336 2.916 4.917 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.802 2.037 3.772 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.265 1.109 4.040 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.291 2.267 1.543 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.636 1.168 1.779 1.00 15.00 H new ATOM 57 N SER A 369 -10.403 6.483 3.182 1.00 15.00 N ATOM 58 CA SER A 369 -9.572 7.639 2.885 1.00 15.00 C ATOM 59 C SER A 369 -8.336 7.644 3.778 1.00 15.00 C ATOM 60 O SER A 369 -8.436 7.553 5.004 1.00 15.00 O ATOM 61 CB SER A 369 -10.378 8.927 3.067 1.00 15.00 C ATOM 62 OG SER A 369 -10.972 8.980 4.352 1.00 15.00 O ATOM 0 H SER A 369 -11.287 6.703 3.641 1.00 15.00 H new ATOM 0 HA SER A 369 -9.244 7.582 1.847 1.00 15.00 H new ATOM 0 HB2 SER A 369 -9.727 9.790 2.928 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.152 8.986 2.302 1.00 15.00 H new ATOM 0 HG SER A 369 -10.429 8.466 4.985 1.00 15.00 H new ATOM 68 N GLY A 370 -7.178 7.754 3.144 1.00 15.00 N ATOM 69 CA GLY A 370 -5.918 7.610 3.839 1.00 15.00 C ATOM 70 C GLY A 370 -5.100 6.501 3.220 1.00 15.00 C ATOM 71 O GLY A 370 -3.873 6.478 3.325 1.00 15.00 O ATOM 0 H GLY A 370 -7.090 7.943 2.146 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.363 8.547 3.797 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.099 7.393 4.892 1.00 15.00 H new ATOM 75 N TRP A 371 -5.803 5.586 2.568 1.00 15.00 N ATOM 76 CA TRP A 371 -5.179 4.492 1.841 1.00 15.00 C ATOM 77 C TRP A 371 -5.022 4.863 0.375 1.00 15.00 C ATOM 78 O TRP A 371 -5.986 5.277 -0.269 1.00 15.00 O ATOM 79 CB TRP A 371 -6.039 3.229 1.930 1.00 15.00 C ATOM 80 CG TRP A 371 -6.105 2.599 3.289 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.708 3.101 4.410 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.570 1.321 3.659 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.579 2.213 5.450 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.882 1.113 5.015 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.852 0.334 2.973 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.506 -0.043 5.697 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.480 -0.812 3.651 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.808 -0.992 5.000 1.00 15.00 C ATOM 0 H TRP A 371 -6.822 5.582 2.529 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.203 4.304 2.288 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.052 3.475 1.611 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.652 2.494 1.224 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.211 4.055 4.468 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.942 2.349 6.393 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.593 0.466 1.933 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.756 -0.185 6.738 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.927 -1.581 3.131 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.504 -1.899 5.501 1.00 15.00 H new ATOM 99 N GLU A 372 -3.822 4.720 -0.159 1.00 15.00 N ATOM 100 CA GLU A 372 -3.624 4.910 -1.583 1.00 15.00 C ATOM 101 C GLU A 372 -3.383 3.569 -2.258 1.00 15.00 C ATOM 102 O GLU A 372 -2.454 2.839 -1.904 1.00 15.00 O ATOM 103 CB GLU A 372 -2.456 5.844 -1.893 1.00 15.00 C ATOM 104 CG GLU A 372 -2.385 7.088 -1.031 1.00 15.00 C ATOM 105 CD GLU A 372 -1.128 7.888 -1.304 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.054 8.541 -2.365 1.00 15.00 O ATOM 107 OE2 GLU A 372 -0.209 7.861 -0.462 1.00 15.00 O1- ATOM 0 H GLU A 372 -2.981 4.476 0.364 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.532 5.373 -1.970 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.526 5.288 -1.779 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.520 6.147 -2.938 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.260 7.710 -1.218 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.414 6.804 0.021 1.00 15.00 H new ATOM 114 N GLU A 373 -4.221 3.251 -3.228 1.00 15.00 N ATOM 115 CA GLU A 373 -4.071 2.030 -4.000 1.00 15.00 C ATOM 116 C GLU A 373 -3.196 2.336 -5.185 1.00 15.00 C ATOM 117 O GLU A 373 -3.661 2.918 -6.166 1.00 15.00 O ATOM 118 CB GLU A 373 -5.413 1.568 -4.523 1.00 15.00 C ATOM 119 CG GLU A 373 -6.543 1.971 -3.624 1.00 15.00 C ATOM 120 CD GLU A 373 -7.847 2.050 -4.382 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.438 0.990 -4.665 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.268 3.165 -4.728 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.018 3.826 -3.501 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.641 1.253 -3.367 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.576 1.985 -5.517 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.405 0.483 -4.629 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.636 1.253 -2.810 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.324 2.938 -3.172 1.00 15.00 H new ATOM 129 N ARG A 374 -1.935 2.010 -5.098 1.00 15.00 N ATOM 130 CA ARG A 374 -1.019 2.443 -6.119 1.00 15.00 C ATOM 131 C ARG A 374 -0.298 1.265 -6.746 1.00 15.00 C ATOM 132 O ARG A 374 0.506 0.583 -6.109 1.00 15.00 O ATOM 133 CB ARG A 374 -0.078 3.485 -5.524 1.00 15.00 C ATOM 134 CG ARG A 374 -0.845 4.697 -4.995 1.00 15.00 C ATOM 135 CD ARG A 374 0.059 5.669 -4.257 1.00 15.00 C ATOM 136 NE ARG A 374 1.082 6.236 -5.134 1.00 15.00 N ATOM 137 CZ ARG A 374 1.648 7.432 -4.960 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.257 8.236 -3.974 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.594 7.834 -5.801 1.00 15.00 N ATOM 0 H ARG A 374 -1.523 1.457 -4.346 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.563 2.914 -6.938 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.498 3.036 -4.715 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.635 3.807 -6.282 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.327 5.211 -5.826 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.637 4.360 -4.326 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.542 6.473 -3.833 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.539 5.157 -3.423 1.00 15.00 H new ATOM 0 HE ARG A 374 1.384 5.679 -5.934 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.515 7.941 -3.339 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.699 9.147 -3.853 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.882 7.230 -6.571 1.00 15.00 H new ATOM 0 HH22 ARG A 374 3.033 8.746 -5.677 1.00 15.00 H new ATOM 153 N LYS A 375 -0.654 1.009 -7.998 1.00 15.00 N ATOM 154 CA LYS A 375 -0.122 -0.114 -8.745 1.00 15.00 C ATOM 155 C LYS A 375 1.021 0.370 -9.630 1.00 15.00 C ATOM 156 O LYS A 375 0.822 1.202 -10.518 1.00 15.00 O ATOM 157 CB LYS A 375 -1.205 -0.767 -9.634 1.00 15.00 C ATOM 158 CG LYS A 375 -2.547 -1.061 -8.953 1.00 15.00 C ATOM 159 CD LYS A 375 -3.400 0.193 -8.813 1.00 15.00 C ATOM 160 CE LYS A 375 -4.882 -0.122 -8.651 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.162 -0.991 -7.477 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.321 1.577 -8.521 1.00 15.00 H new ATOM 0 HA LYS A 375 0.232 -0.859 -8.032 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.389 -0.114 -10.487 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.808 -1.702 -10.028 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.091 -1.808 -9.531 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.367 -1.490 -7.967 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.058 0.766 -7.951 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.260 0.823 -9.691 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.438 0.810 -8.548 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -5.246 -0.612 -9.554 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.190 -1.090 -7.355 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.740 -1.929 -7.631 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.752 -0.563 -6.623 1.00 15.00 H new ATOM 175 N ASP A 376 2.206 -0.153 -9.398 1.00 15.00 N ATOM 176 CA ASP A 376 3.376 0.256 -10.159 1.00 15.00 C ATOM 177 C ASP A 376 3.524 -0.624 -11.396 1.00 15.00 C ATOM 178 O ASP A 376 3.129 -1.789 -11.383 1.00 15.00 O ATOM 179 CB ASP A 376 4.630 0.179 -9.297 1.00 15.00 C ATOM 180 CG ASP A 376 5.736 1.075 -9.819 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.959 1.110 -11.046 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.392 1.744 -9.002 1.00 15.00 O ATOM 0 H ASP A 376 2.389 -0.863 -8.689 1.00 15.00 H new ATOM 0 HA ASP A 376 3.244 1.291 -10.476 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.385 0.465 -8.274 1.00 15.00 H new ATOM 0 HB3 ASP A 376 4.984 -0.851 -9.264 1.00 15.00 H new ATOM 187 N ALA A 377 4.100 -0.059 -12.453 1.00 15.00 N ATOM 188 CA ALA A 377 4.132 -0.685 -13.775 1.00 15.00 C ATOM 189 C ALA A 377 4.841 -2.041 -13.774 1.00 15.00 C ATOM 190 O ALA A 377 4.529 -2.902 -14.594 1.00 15.00 O ATOM 191 CB ALA A 377 4.799 0.251 -14.770 1.00 15.00 C ATOM 0 H ALA A 377 4.561 0.850 -12.418 1.00 15.00 H new ATOM 0 HA ALA A 377 3.099 -0.870 -14.068 1.00 15.00 H new ATOM 0 HB1 ALA A 377 4.821 -0.219 -15.753 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.237 1.183 -14.826 1.00 15.00 H new ATOM 0 HB3 ALA A 377 5.818 0.461 -14.445 1.00 15.00 H new ATOM 197 N LYS A 378 5.782 -2.237 -12.849 1.00 15.00 N ATOM 198 CA LYS A 378 6.474 -3.529 -12.725 1.00 15.00 C ATOM 199 C LYS A 378 5.500 -4.602 -12.260 1.00 15.00 C ATOM 200 O LYS A 378 5.780 -5.799 -12.328 1.00 15.00 O ATOM 201 CB LYS A 378 7.637 -3.483 -11.730 1.00 15.00 C ATOM 202 CG LYS A 378 8.483 -2.229 -11.780 1.00 15.00 C ATOM 203 CD LYS A 378 7.970 -1.194 -10.802 1.00 15.00 C ATOM 204 CE LYS A 378 9.083 -0.248 -10.370 1.00 15.00 C ATOM 205 NZ LYS A 378 8.712 0.553 -9.173 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.083 -1.529 -12.180 1.00 15.00 H new ATOM 0 HA LYS A 378 6.872 -3.760 -13.713 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.236 -3.591 -10.722 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.281 -4.343 -11.910 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.519 -2.474 -11.546 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.473 -1.818 -12.790 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.162 -0.624 -11.261 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.552 -1.692 -9.927 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.983 -0.824 -10.154 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.325 0.424 -11.193 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.571 0.944 -8.737 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.083 1.331 -9.457 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.221 -0.055 -8.487 1.00 15.00 H new ATOM 219 N GLY A 379 4.361 -4.150 -11.779 1.00 15.00 N ATOM 220 CA GLY A 379 3.414 -5.014 -11.129 1.00 15.00 C ATOM 221 C GLY A 379 3.665 -5.091 -9.647 1.00 15.00 C ATOM 222 O GLY A 379 3.869 -6.164 -9.082 1.00 15.00 O ATOM 0 H GLY A 379 4.071 -3.173 -11.830 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.403 -4.649 -11.309 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.474 -6.013 -11.562 1.00 15.00 H new ATOM 226 N ARG A 380 3.665 -3.924 -9.027 1.00 15.00 N ATOM 227 CA ARG A 380 3.816 -3.813 -7.591 1.00 15.00 C ATOM 228 C ARG A 380 2.586 -3.123 -7.023 1.00 15.00 C ATOM 229 O ARG A 380 2.437 -1.908 -7.144 1.00 15.00 O ATOM 230 CB ARG A 380 5.078 -3.019 -7.239 1.00 15.00 C ATOM 231 CG ARG A 380 6.322 -3.494 -7.974 1.00 15.00 C ATOM 232 CD ARG A 380 6.749 -4.883 -7.529 1.00 15.00 C ATOM 233 NE ARG A 380 7.425 -4.871 -6.234 1.00 15.00 N ATOM 234 CZ ARG A 380 7.679 -5.971 -5.522 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.198 -7.145 -5.919 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.399 -5.893 -4.411 1.00 15.00 N ATOM 0 H ARG A 380 3.560 -3.029 -9.506 1.00 15.00 H new ATOM 0 HA ARG A 380 3.916 -4.809 -7.159 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.911 -1.967 -7.468 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.252 -3.088 -6.165 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.129 -3.500 -9.047 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.137 -2.791 -7.800 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.873 -5.528 -7.472 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.413 -5.313 -8.278 1.00 15.00 H new ATOM 0 HE ARG A 380 7.719 -3.972 -5.853 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.635 -7.205 -6.767 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.392 -7.986 -5.375 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.760 -4.991 -4.099 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.592 -6.735 -3.868 1.00 15.00 H new ATOM 250 N THR A 381 1.674 -3.905 -6.473 1.00 15.00 N ATOM 251 CA THR A 381 0.438 -3.365 -5.939 1.00 15.00 C ATOM 252 C THR A 381 0.523 -3.200 -4.430 1.00 15.00 C ATOM 253 O THR A 381 0.248 -4.136 -3.679 1.00 15.00 O ATOM 254 CB THR A 381 -0.759 -4.268 -6.293 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.484 -5.620 -5.898 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.058 -4.216 -7.783 1.00 15.00 C ATOM 0 H THR A 381 1.767 -4.917 -6.385 1.00 15.00 H new ATOM 0 HA THR A 381 0.287 -2.386 -6.394 1.00 15.00 H new ATOM 0 HB THR A 381 -1.634 -3.903 -5.755 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.111 -5.627 -4.992 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.907 -4.862 -8.006 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.296 -3.192 -8.071 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.186 -4.557 -8.341 1.00 15.00 H new ATOM 264 N TYR A 382 0.933 -2.024 -3.988 1.00 15.00 N ATOM 265 CA TYR A 382 1.033 -1.752 -2.570 1.00 15.00 C ATOM 266 C TYR A 382 -0.080 -0.818 -2.110 1.00 15.00 C ATOM 267 O TYR A 382 -0.225 0.304 -2.605 1.00 15.00 O ATOM 268 CB TYR A 382 2.422 -1.193 -2.218 1.00 15.00 C ATOM 269 CG TYR A 382 2.969 -0.158 -3.187 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.661 1.191 -3.054 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.817 -0.537 -4.223 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.178 2.129 -3.929 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.339 0.397 -5.098 1.00 15.00 C ATOM 274 CZ TYR A 382 4.017 1.728 -4.946 1.00 15.00 C ATOM 275 OH TYR A 382 4.541 2.665 -5.812 1.00 15.00 O ATOM 0 H TYR A 382 1.201 -1.246 -4.591 1.00 15.00 H new ATOM 0 HA TYR A 382 0.909 -2.693 -2.034 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.375 -0.748 -1.224 1.00 15.00 H new ATOM 0 HB3 TYR A 382 3.126 -2.023 -2.163 1.00 15.00 H new ATOM 0 HD1 TYR A 382 2.008 1.511 -2.255 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.072 -1.579 -4.346 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.925 3.173 -3.816 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.996 0.085 -5.897 1.00 15.00 H new ATOM 0 HH TYR A 382 5.113 2.218 -6.470 1.00 15.00 H new ATOM 285 N TYR A 383 -0.891 -1.312 -1.186 1.00 15.00 N ATOM 286 CA TYR A 383 -1.905 -0.496 -0.547 1.00 15.00 C ATOM 287 C TYR A 383 -1.300 0.136 0.693 1.00 15.00 C ATOM 288 O TYR A 383 -0.945 -0.567 1.641 1.00 15.00 O ATOM 289 CB TYR A 383 -3.131 -1.337 -0.170 1.00 15.00 C ATOM 290 CG TYR A 383 -3.822 -1.984 -1.354 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.359 -3.183 -1.884 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.942 -1.399 -1.936 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.990 -3.778 -2.960 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.578 -1.990 -3.010 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.097 -3.178 -3.519 1.00 15.00 C ATOM 296 OH TYR A 383 -5.727 -3.764 -4.592 1.00 15.00 O ATOM 0 H TYR A 383 -0.864 -2.279 -0.863 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.237 0.277 -1.240 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.824 -2.115 0.528 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.847 -0.703 0.354 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.492 -3.657 -1.448 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.320 -0.468 -1.542 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.617 -4.709 -3.361 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.448 -1.524 -3.449 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.490 -3.213 -4.864 1.00 15.00 H new ATOM 306 N VAL A 384 -1.142 1.447 0.671 1.00 15.00 N ATOM 307 CA VAL A 384 -0.459 2.137 1.751 1.00 15.00 C ATOM 308 C VAL A 384 -1.383 3.105 2.480 1.00 15.00 C ATOM 309 O VAL A 384 -2.063 3.919 1.860 1.00 15.00 O ATOM 310 CB VAL A 384 0.784 2.888 1.239 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.893 1.915 0.887 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.455 3.748 0.039 1.00 15.00 C ATOM 0 H VAL A 384 -1.475 2.053 -0.079 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.140 1.371 2.458 1.00 15.00 H new ATOM 0 HB VAL A 384 1.125 3.539 2.044 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.761 2.467 0.528 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.169 1.342 1.772 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.547 1.236 0.108 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.355 4.264 -0.297 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.076 3.119 -0.766 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.303 4.482 0.314 1.00 15.00 H new ATOM 322 N ASN A 385 -1.401 3.004 3.801 1.00 15.00 N ATOM 323 CA ASN A 385 -2.274 3.833 4.623 1.00 15.00 C ATOM 324 C ASN A 385 -1.481 4.866 5.409 1.00 15.00 C ATOM 325 O ASN A 385 -0.595 4.517 6.187 1.00 15.00 O ATOM 326 CB ASN A 385 -3.073 2.960 5.588 1.00 15.00 C ATOM 327 CG ASN A 385 -4.015 3.767 6.463 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.458 4.852 6.089 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.336 3.236 7.632 1.00 15.00 N ATOM 0 H ASN A 385 -0.819 2.354 4.329 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.956 4.360 3.955 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.648 2.229 5.020 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.384 2.401 6.221 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.972 3.729 8.259 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.947 2.334 7.906 1.00 15.00 H new ATOM 336 N HIS A 386 -1.820 6.137 5.213 1.00 15.00 N ATOM 337 CA HIS A 386 -1.191 7.224 5.960 1.00 15.00 C ATOM 338 C HIS A 386 -1.754 7.296 7.372 1.00 15.00 C ATOM 339 O HIS A 386 -1.132 7.863 8.271 1.00 15.00 O ATOM 340 CB HIS A 386 -1.423 8.586 5.294 1.00 15.00 C ATOM 341 CG HIS A 386 -0.747 8.778 3.974 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.499 9.346 3.844 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.176 8.528 2.718 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.804 9.443 2.565 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.194 8.951 1.857 1.00 15.00 N ATOM 0 H HIS A 386 -2.527 6.441 4.543 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.123 7.009 5.980 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.495 8.727 5.158 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.083 9.367 5.974 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.118 8.078 2.442 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.718 9.856 2.164 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.230 8.894 0.839 1.00 15.00 H new ATOM 354 N ASN A 387 -2.946 6.739 7.558 1.00 15.00 N ATOM 355 CA ASN A 387 -3.674 6.901 8.811 1.00 15.00 C ATOM 356 C ASN A 387 -2.980 6.175 9.961 1.00 15.00 C ATOM 357 O ASN A 387 -2.896 6.696 11.071 1.00 15.00 O ATOM 358 CB ASN A 387 -5.117 6.415 8.670 1.00 15.00 C ATOM 359 CG ASN A 387 -6.002 6.885 9.806 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.799 7.965 10.364 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.993 6.080 10.148 1.00 15.00 N ATOM 0 H ASN A 387 -3.427 6.173 6.859 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.686 7.966 9.044 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.526 6.771 7.724 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.128 5.326 8.632 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.627 6.344 10.902 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -7.123 5.195 9.658 1.00 15.00 H new ATOM 368 N ASN A 388 -2.510 4.958 9.709 1.00 15.00 N ATOM 369 CA ASN A 388 -1.781 4.204 10.734 1.00 15.00 C ATOM 370 C ASN A 388 -0.332 3.921 10.321 1.00 15.00 C ATOM 371 O ASN A 388 0.476 3.520 11.158 1.00 15.00 O ATOM 372 CB ASN A 388 -2.502 2.895 11.094 1.00 15.00 C ATOM 373 CG ASN A 388 -2.336 1.797 10.058 1.00 15.00 C ATOM 374 OD1 ASN A 388 -2.186 2.061 8.864 1.00 15.00 O ATOM 375 ND2 ASN A 388 -2.364 0.556 10.513 1.00 15.00 N ATOM 0 H ASN A 388 -2.616 4.474 8.818 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.756 4.835 11.622 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -2.127 2.537 12.053 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.564 3.101 11.224 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -2.259 -0.226 9.867 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -2.490 0.381 11.510 1.00 15.00 H new ATOM 382 N ARG A 389 -0.025 4.107 9.028 1.00 15.00 N ATOM 383 CA ARG A 389 1.304 3.837 8.472 1.00 15.00 C ATOM 384 C ARG A 389 1.541 2.341 8.319 1.00 15.00 C ATOM 385 O ARG A 389 2.287 1.733 9.088 1.00 15.00 O ATOM 386 CB ARG A 389 2.429 4.477 9.291 1.00 15.00 C ATOM 387 CG ARG A 389 2.304 5.983 9.429 1.00 15.00 C ATOM 388 CD ARG A 389 3.464 6.556 10.219 1.00 15.00 C ATOM 389 NE ARG A 389 3.270 7.966 10.541 1.00 15.00 N ATOM 390 CZ ARG A 389 4.134 8.692 11.243 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.290 8.165 11.630 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 3.852 9.952 11.538 1.00 15.00 N ATOM 0 H ARG A 389 -0.695 4.450 8.339 1.00 15.00 H new ATOM 0 HA ARG A 389 1.324 4.299 7.485 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.442 4.030 10.285 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.385 4.242 8.823 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.272 6.441 8.440 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.365 6.229 9.925 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.589 5.989 11.141 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.384 6.439 9.646 1.00 15.00 H new ATOM 0 HE ARG A 389 2.421 8.422 10.207 1.00 15.00 H new ATOM 0 HH11 ARG A 389 5.517 7.200 11.389 1.00 15.00 H new ATOM 0 HH12 ARG A 389 5.951 8.725 12.169 1.00 15.00 H new ATOM 0 HH21 ARG A 389 2.973 10.364 11.227 1.00 15.00 H new ATOM 0 HH22 ARG A 389 4.514 10.510 12.077 1.00 15.00 H new ATOM 406 N THR A 390 0.836 1.742 7.373 1.00 15.00 N ATOM 407 CA THR A 390 1.010 0.336 7.066 1.00 15.00 C ATOM 408 C THR A 390 0.741 0.092 5.585 1.00 15.00 C ATOM 409 O THR A 390 -0.014 0.835 4.950 1.00 15.00 O ATOM 410 CB THR A 390 0.091 -0.569 7.922 1.00 15.00 C ATOM 411 OG1 THR A 390 0.670 -1.874 8.043 1.00 15.00 O ATOM 412 CG2 THR A 390 -1.301 -0.695 7.310 1.00 15.00 C ATOM 0 H THR A 390 0.134 2.213 6.802 1.00 15.00 H new ATOM 0 HA THR A 390 2.041 0.075 7.305 1.00 15.00 H new ATOM 0 HB THR A 390 -0.006 -0.107 8.905 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.085 -2.442 8.587 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.918 -1.338 7.938 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.759 0.292 7.240 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.222 -1.130 6.313 1.00 15.00 H new ATOM 420 N THR A 391 1.401 -0.907 5.026 1.00 15.00 N ATOM 421 CA THR A 391 1.170 -1.294 3.650 1.00 15.00 C ATOM 422 C THR A 391 0.939 -2.801 3.568 1.00 15.00 C ATOM 423 O THR A 391 1.478 -3.564 4.373 1.00 15.00 O ATOM 424 CB THR A 391 2.342 -0.869 2.735 1.00 15.00 C ATOM 425 OG1 THR A 391 2.085 -1.269 1.381 1.00 15.00 O ATOM 426 CG2 THR A 391 3.661 -1.464 3.210 1.00 15.00 C ATOM 0 H THR A 391 2.104 -1.466 5.509 1.00 15.00 H new ATOM 0 HA THR A 391 0.279 -0.776 3.295 1.00 15.00 H new ATOM 0 HB THR A 391 2.424 0.217 2.781 1.00 15.00 H new ATOM 0 HG1 THR A 391 1.134 -1.146 1.178 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.464 -1.146 2.545 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.871 -1.121 4.223 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.593 -2.552 3.202 1.00 15.00 H new ATOM 434 N THR A 392 0.101 -3.221 2.632 1.00 15.00 N ATOM 435 CA THR A 392 -0.235 -4.625 2.487 1.00 15.00 C ATOM 436 C THR A 392 -0.561 -4.963 1.037 1.00 15.00 C ATOM 437 O THR A 392 -1.011 -4.102 0.274 1.00 15.00 O ATOM 438 CB THR A 392 -1.416 -5.025 3.401 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.729 -6.415 3.225 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.649 -4.181 3.111 1.00 15.00 C ATOM 0 H THR A 392 -0.359 -2.606 1.961 1.00 15.00 H new ATOM 0 HA THR A 392 0.641 -5.197 2.793 1.00 15.00 H new ATOM 0 HB THR A 392 -1.114 -4.848 4.433 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.692 -6.517 3.076 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.462 -4.486 3.770 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.419 -3.129 3.282 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.951 -4.322 2.073 1.00 15.00 H new ATOM 448 N TRP A 393 -0.288 -6.205 0.652 1.00 15.00 N ATOM 449 CA TRP A 393 -0.603 -6.683 -0.686 1.00 15.00 C ATOM 450 C TRP A 393 -2.092 -6.995 -0.809 1.00 15.00 C ATOM 451 O TRP A 393 -2.649 -6.995 -1.908 1.00 15.00 O ATOM 452 CB TRP A 393 0.189 -7.952 -1.011 1.00 15.00 C ATOM 453 CG TRP A 393 1.669 -7.830 -0.810 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.402 -8.395 0.196 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.599 -7.103 -1.623 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.725 -8.075 0.049 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.871 -7.280 -1.053 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.484 -6.323 -2.778 1.00 15.00 C ATOM 459 CZ2 TRP A 393 5.018 -6.709 -1.592 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.626 -5.752 -3.312 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.878 -5.948 -2.718 1.00 15.00 C ATOM 0 H TRP A 393 0.153 -6.901 1.253 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.332 -5.894 -1.387 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.183 -8.766 -0.390 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.002 -8.229 -2.048 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.997 -9.004 0.990 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.480 -8.381 0.663 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.522 -6.169 -3.244 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.985 -6.862 -1.137 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.550 -5.145 -4.202 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.751 -5.489 -3.158 1.00 15.00 H new ATOM 472 N THR A 394 -2.720 -7.290 0.322 1.00 15.00 N ATOM 473 CA THR A 394 -4.114 -7.708 0.336 1.00 15.00 C ATOM 474 C THR A 394 -5.053 -6.510 0.301 1.00 15.00 C ATOM 475 O THR A 394 -4.717 -5.429 0.782 1.00 15.00 O ATOM 476 CB THR A 394 -4.427 -8.582 1.567 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.942 -7.951 2.757 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.801 -9.962 1.429 1.00 15.00 C ATOM 0 H THR A 394 -2.284 -7.247 1.243 1.00 15.00 H new ATOM 0 HA THR A 394 -4.276 -8.303 -0.563 1.00 15.00 H new ATOM 0 HB THR A 394 -5.509 -8.696 1.633 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.147 -8.514 3.533 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.037 -10.558 2.310 1.00 15.00 H new ATOM 0 HG22 THR A 394 -4.198 -10.454 0.541 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.719 -9.863 1.337 1.00 15.00 H new ATOM 486 N ARG A 395 -6.223 -6.708 -0.286 1.00 15.00 N ATOM 487 CA ARG A 395 -7.203 -5.641 -0.425 1.00 15.00 C ATOM 488 C ARG A 395 -7.929 -5.378 0.891 1.00 15.00 C ATOM 489 O ARG A 395 -8.564 -6.276 1.449 1.00 15.00 O ATOM 490 CB ARG A 395 -8.225 -5.997 -1.510 1.00 15.00 C ATOM 491 CG ARG A 395 -9.318 -4.951 -1.677 1.00 15.00 C ATOM 492 CD ARG A 395 -8.752 -3.634 -2.180 1.00 15.00 C ATOM 493 NE ARG A 395 -9.729 -2.552 -2.118 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.717 -1.502 -2.936 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.842 -1.453 -3.931 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.582 -0.511 -2.768 1.00 15.00 N ATOM 0 H ARG A 395 -6.519 -7.603 -0.676 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.667 -4.736 -0.710 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.706 -6.124 -2.460 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.684 -6.955 -1.266 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.070 -5.317 -2.376 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.821 -4.792 -0.723 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.878 -3.366 -1.586 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.413 -3.756 -3.209 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.461 -2.603 -1.409 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.181 -2.218 -4.067 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.830 -0.650 -4.560 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -11.262 -0.551 -2.008 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.568 0.291 -3.398 1.00 15.00 H new ATOM 510 N PRO A 396 -7.833 -4.146 1.407 1.00 15.00 N ATOM 511 CA PRO A 396 -8.625 -3.712 2.556 1.00 15.00 C ATOM 512 C PRO A 396 -10.064 -3.409 2.153 1.00 15.00 C ATOM 513 O PRO A 396 -10.310 -2.583 1.271 1.00 15.00 O ATOM 514 CB PRO A 396 -7.914 -2.437 3.011 1.00 15.00 C ATOM 515 CG PRO A 396 -7.288 -1.892 1.775 1.00 15.00 C ATOM 516 CD PRO A 396 -6.931 -3.082 0.924 1.00 15.00 C ATOM 0 HA PRO A 396 -8.690 -4.472 3.334 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.616 -1.726 3.446 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.165 -2.652 3.773 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.976 -1.230 1.249 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.401 -1.305 2.014 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.086 -2.877 -0.135 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.884 -3.360 1.045 1.00 15.00 H new ATOM 588 N GLU B 205 4.213 -12.404 -1.732 1.00 15.00 N ATOM 589 CA GLU B 205 5.327 -11.474 -1.776 1.00 15.00 C ATOM 590 C GLU B 205 5.731 -11.024 -0.382 1.00 15.00 C ATOM 591 O GLU B 205 4.881 -10.781 0.477 1.00 15.00 O ATOM 592 CB GLU B 205 4.956 -10.259 -2.624 1.00 15.00 C ATOM 593 CG GLU B 205 5.149 -10.476 -4.112 1.00 15.00 C ATOM 594 CD GLU B 205 6.609 -10.654 -4.472 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.124 -11.785 -4.351 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 7.255 -9.658 -4.865 1.00 15.00 O ATOM 0 HA GLU B 205 6.177 -11.989 -2.224 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.914 -9.999 -2.435 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.559 -9.408 -2.308 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.588 -11.356 -4.426 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.741 -9.626 -4.659 1.00 15.00 H new ATOM 603 N SER B 206 7.034 -10.908 -0.173 1.00 15.00 N ATOM 604 CA SER B 206 7.576 -10.348 1.051 1.00 15.00 C ATOM 605 C SER B 206 7.009 -8.946 1.262 1.00 15.00 C ATOM 606 O SER B 206 6.729 -8.247 0.291 1.00 15.00 O ATOM 607 CB SER B 206 9.101 -10.300 0.946 1.00 15.00 C ATOM 608 OG SER B 206 9.620 -11.583 0.627 1.00 15.00 O ATOM 0 H SER B 206 7.742 -11.199 -0.847 1.00 15.00 H new ATOM 0 HA SER B 206 7.298 -10.968 1.903 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.396 -9.582 0.181 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.525 -9.954 1.889 1.00 15.00 H new ATOM 0 HG SER B 206 10.597 -11.534 0.562 1.00 15.00 H new ATOM 614 N PRO B 207 6.861 -8.512 2.522 1.00 15.00 N ATOM 615 CA PRO B 207 6.218 -7.232 2.858 1.00 15.00 C ATOM 616 C PRO B 207 6.760 -6.066 2.032 1.00 15.00 C ATOM 617 O PRO B 207 7.973 -5.952 1.837 1.00 15.00 O ATOM 618 CB PRO B 207 6.573 -7.051 4.329 1.00 15.00 C ATOM 619 CG PRO B 207 6.695 -8.439 4.844 1.00 15.00 C ATOM 620 CD PRO B 207 7.301 -9.237 3.726 1.00 15.00 C ATOM 0 HA PRO B 207 5.148 -7.244 2.653 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.504 -6.498 4.449 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.801 -6.495 4.860 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.324 -8.472 5.734 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.721 -8.838 5.127 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.388 -9.274 3.800 1.00 15.00 H new ATOM 0 HD3 PRO B 207 6.946 -10.268 3.728 1.00 15.00 H new ATOM 628 N PRO B 208 5.855 -5.199 1.524 1.00 15.00 N ATOM 629 CA PRO B 208 6.217 -4.055 0.672 1.00 15.00 C ATOM 630 C PRO B 208 7.338 -3.197 1.246 1.00 15.00 C ATOM 631 O PRO B 208 7.552 -3.162 2.461 1.00 15.00 O ATOM 632 CB PRO B 208 4.924 -3.244 0.610 1.00 15.00 C ATOM 633 CG PRO B 208 3.857 -4.256 0.758 1.00 15.00 C ATOM 634 CD PRO B 208 4.391 -5.267 1.734 1.00 15.00 C ATOM 0 HA PRO B 208 6.594 -4.389 -0.295 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.881 -2.500 1.406 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.835 -2.706 -0.334 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.936 -3.804 1.127 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.623 -4.721 -0.199 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.119 -5.019 2.760 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.001 -6.265 1.534 1.00 15.00 H new ATOM 642 N PRO B 209 8.037 -2.471 0.360 1.00 15.00 N ATOM 643 CA PRO B 209 9.139 -1.577 0.737 1.00 15.00 C ATOM 644 C PRO B 209 8.747 -0.630 1.873 1.00 15.00 C ATOM 645 O PRO B 209 7.607 -0.156 1.918 1.00 15.00 O ATOM 646 CB PRO B 209 9.401 -0.797 -0.554 1.00 15.00 C ATOM 647 CG PRO B 209 8.972 -1.722 -1.636 1.00 15.00 C ATOM 648 CD PRO B 209 7.787 -2.455 -1.092 1.00 15.00 C ATOM 0 HA PRO B 209 10.009 -2.118 1.109 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.834 0.134 -0.578 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.454 -0.532 -0.652 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.712 -1.173 -2.541 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.772 -2.413 -1.901 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.854 -1.947 -1.334 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.716 -3.464 -1.499 1.00 15.00 H new ATOM 656 N PRO B 210 9.689 -0.332 2.793 1.00 15.00 N ATOM 657 CA PRO B 210 9.408 0.463 3.995 1.00 15.00 C ATOM 658 C PRO B 210 8.650 1.755 3.705 1.00 15.00 C ATOM 659 O PRO B 210 9.115 2.622 2.964 1.00 15.00 O ATOM 660 CB PRO B 210 10.795 0.784 4.548 1.00 15.00 C ATOM 661 CG PRO B 210 11.665 -0.321 4.063 1.00 15.00 C ATOM 662 CD PRO B 210 11.102 -0.759 2.736 1.00 15.00 C ATOM 0 HA PRO B 210 8.766 -0.086 4.684 1.00 15.00 H new ATOM 0 HB2 PRO B 210 11.149 1.751 4.191 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.785 0.830 5.637 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.696 0.016 3.955 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.673 -1.148 4.773 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.628 -0.290 1.904 1.00 15.00 H new ATOM 0 HD3 PRO B 210 11.189 -1.837 2.601 1.00 15.00 H new ATOM 670 N TYR B 211 7.473 1.865 4.301 1.00 15.00 N ATOM 671 CA TYR B 211 6.623 3.024 4.113 1.00 15.00 C ATOM 672 C TYR B 211 6.907 4.063 5.186 1.00 15.00 C ATOM 673 O TYR B 211 6.528 3.895 6.345 1.00 15.00 O ATOM 674 CB TYR B 211 5.153 2.601 4.161 1.00 15.00 C ATOM 675 CG TYR B 211 4.178 3.692 3.782 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.058 4.112 2.464 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.362 4.288 4.737 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.157 5.088 2.109 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.458 5.271 4.386 1.00 15.00 C ATOM 680 CZ TYR B 211 2.362 5.663 3.069 1.00 15.00 C ATOM 681 OH TYR B 211 1.454 6.619 2.705 1.00 15.00 O ATOM 0 H TYR B 211 7.084 1.157 4.924 1.00 15.00 H new ATOM 0 HA TYR B 211 6.834 3.465 3.139 1.00 15.00 H new ATOM 0 HB2 TYR B 211 5.009 1.753 3.491 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.919 2.255 5.168 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.683 3.665 1.705 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.436 3.977 5.769 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.075 5.401 1.079 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.832 5.729 5.138 1.00 15.00 H new ATOM 0 HH TYR B 211 0.679 6.579 3.303 1.00 15.00 H new ATOM 691 N SER B 212 7.618 5.111 4.808 1.00 15.00 N ATOM 692 CA SER B 212 7.929 6.180 5.736 1.00 15.00 C ATOM 693 C SER B 212 6.909 7.312 5.607 1.00 15.00 C ATOM 694 O SER B 212 6.015 7.460 6.439 1.00 15.00 O ATOM 695 CB SER B 212 9.341 6.708 5.465 1.00 15.00 C ATOM 696 OG SER B 212 10.278 5.646 5.387 1.00 15.00 O ATOM 0 H SER B 212 7.989 5.243 3.867 1.00 15.00 H new ATOM 0 HA SER B 212 7.884 5.788 6.752 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.349 7.273 4.533 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.633 7.397 6.257 1.00 15.00 H new ATOM 0 HG SER B 212 11.171 6.010 5.212 1.00 15.00 H new ATOM 702 N ARG B 213 7.035 8.089 4.538 1.00 15.00 N ATOM 703 CA ARG B 213 6.102 9.179 4.276 1.00 15.00 C ATOM 704 C ARG B 213 5.376 9.001 2.938 1.00 15.00 C ATOM 705 O ARG B 213 4.163 9.175 2.863 1.00 15.00 O ATOM 706 CB ARG B 213 6.820 10.536 4.346 1.00 15.00 C ATOM 707 CG ARG B 213 8.049 10.643 3.451 1.00 15.00 C ATOM 708 CD ARG B 213 8.852 11.896 3.758 1.00 15.00 C ATOM 709 NE ARG B 213 8.083 13.117 3.533 1.00 15.00 N ATOM 710 CZ ARG B 213 8.537 14.340 3.795 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.745 14.508 4.316 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 7.782 15.398 3.531 1.00 15.00 N ATOM 0 H ARG B 213 7.772 7.985 3.840 1.00 15.00 H new ATOM 0 HA ARG B 213 5.340 9.156 5.055 1.00 15.00 H new ATOM 0 HB2 ARG B 213 6.116 11.321 4.071 1.00 15.00 H new ATOM 0 HB3 ARG B 213 7.119 10.723 5.377 1.00 15.00 H new ATOM 0 HG2 ARG B 213 8.678 9.763 3.588 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.740 10.654 2.406 1.00 15.00 H new ATOM 0 HD2 ARG B 213 9.186 11.866 4.795 1.00 15.00 H new ATOM 0 HD3 ARG B 213 9.747 11.913 3.136 1.00 15.00 H new ATOM 0 HE ARG B 213 7.141 13.027 3.152 1.00 15.00 H new ATOM 0 HH11 ARG B 213 10.331 13.698 4.518 1.00 15.00 H new ATOM 0 HH12 ARG B 213 10.088 15.448 4.515 1.00 15.00 H new ATOM 0 HH21 ARG B 213 6.854 15.274 3.127 1.00 15.00 H new ATOM 0 HH22 ARG B 213 8.130 16.336 3.732 1.00 15.00 H new ATOM 726 N TYR B 214 6.119 8.685 1.879 1.00 15.00 N ATOM 727 CA TYR B 214 5.528 8.473 0.566 1.00 15.00 C ATOM 728 C TYR B 214 5.831 7.059 0.095 1.00 15.00 C ATOM 729 O TYR B 214 6.922 6.542 0.349 1.00 15.00 O ATOM 730 CB TYR B 214 6.074 9.497 -0.437 1.00 15.00 C ATOM 731 CG TYR B 214 5.960 10.930 0.039 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.729 11.473 0.394 1.00 15.00 C ATOM 733 CD2 TYR B 214 7.086 11.731 0.158 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.629 12.775 0.850 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.994 13.030 0.620 1.00 15.00 C ATOM 736 CZ TYR B 214 5.763 13.547 0.963 1.00 15.00 C ATOM 737 OH TYR B 214 5.669 14.833 1.444 1.00 15.00 O ATOM 0 H TYR B 214 7.132 8.571 1.908 1.00 15.00 H new ATOM 0 HA TYR B 214 4.448 8.604 0.635 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.121 9.272 -0.640 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.537 9.392 -1.380 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.838 10.868 0.312 1.00 15.00 H new ATOM 0 HD2 TYR B 214 8.052 11.332 -0.115 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.666 13.184 1.116 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.882 13.637 0.712 1.00 15.00 H new ATOM 0 HH TYR B 214 4.919 14.893 2.072 1.00 15.00 H new ATOM 747 N PRO B 215 4.887 6.419 -0.607 1.00 15.00 N ATOM 748 CA PRO B 215 5.072 5.055 -1.102 1.00 15.00 C ATOM 749 C PRO B 215 6.100 4.986 -2.227 1.00 15.00 C ATOM 750 O PRO B 215 5.961 5.651 -3.255 1.00 15.00 O ATOM 751 CB PRO B 215 3.683 4.667 -1.612 1.00 15.00 C ATOM 752 CG PRO B 215 3.015 5.958 -1.932 1.00 15.00 C ATOM 753 CD PRO B 215 3.565 6.967 -0.966 1.00 15.00 C ATOM 0 HA PRO B 215 5.452 4.387 -0.329 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.750 4.029 -2.493 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.127 4.111 -0.857 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.216 6.255 -2.961 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.933 5.872 -1.830 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.650 7.953 -1.422 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.924 7.075 -0.091 1.00 15.00 H new ATOM 761 N MET B 216 7.134 4.183 -2.023 1.00 15.00 N ATOM 762 CA MET B 216 8.226 4.075 -2.982 1.00 15.00 C ATOM 763 C MET B 216 8.600 2.613 -3.210 1.00 15.00 C ATOM 764 O MET B 216 8.849 1.873 -2.258 1.00 15.00 O ATOM 765 CB MET B 216 9.445 4.860 -2.485 1.00 15.00 C ATOM 766 CG MET B 216 9.932 4.446 -1.102 1.00 15.00 C ATOM 767 SD MET B 216 11.355 5.403 -0.542 1.00 15.00 S ATOM 768 CE MET B 216 10.661 7.055 -0.512 1.00 15.00 C ATOM 0 H MET B 216 7.241 3.593 -1.198 1.00 15.00 H new ATOM 0 HA MET B 216 7.895 4.498 -3.930 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.260 4.734 -3.198 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.198 5.921 -2.468 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.118 4.562 -0.386 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.195 3.388 -1.117 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.258 7.689 0.144 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.665 7.470 -1.520 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.637 7.013 -0.142 1.00 15.00 H new ATOM 778 N ASP B 217 8.643 2.203 -4.471 1.00 15.00 N ATOM 779 CA ASP B 217 8.985 0.829 -4.822 1.00 15.00 C ATOM 780 C ASP B 217 10.276 0.797 -5.631 1.00 15.00 C ATOM 781 O ASP B 217 11.347 0.563 -5.039 1.00 15.00 O ATOM 782 CB ASP B 217 7.841 0.183 -5.610 1.00 15.00 C ATOM 783 CG ASP B 217 8.181 -1.206 -6.120 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.078 -2.181 -5.344 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 8.540 -1.336 -7.309 1.00 15.00 O ATOM 786 OXT ASP B 217 10.222 1.037 -6.855 1.00 15.00 O ATOM 0 H ASP B 217 8.445 2.804 -5.271 1.00 15.00 H new ATOM 0 HA ASP B 217 9.138 0.260 -3.905 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.957 0.124 -4.974 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.584 0.821 -6.455 1.00 15.00 H new