USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 281 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 NoAdj-H: A 391 HIS HD1 : A 391 HIS ND1 : A 403 ZNZN :(H bumps) USER MOD Set 1.1: A 386 SER OG : rot 180:sc= 0.206 USER MOD Set 1.2: A 395 THR OG1 : rot 98:sc= -0.109 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ -169:sc= -0.0228 (180deg=-0.187) USER MOD Single : A 368 ASN : amide:sc= -0.0546 K(o=-0.055,f=-4.9!) USER MOD Single : A 369 MET CE :methyl -139:sc= -0.159 (180deg=-0.781) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 374 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 400 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -9.921 2.228 19.618 1.00 10.97 N ATOM 2 CA GLY A 364 -8.771 1.566 18.958 1.00 10.49 C ATOM 3 C GLY A 364 -9.117 1.090 17.563 1.00 9.66 C ATOM 4 O GLY A 364 -10.279 1.130 17.162 1.00 9.60 O ATOM 0 HA2 GLY A 364 -7.933 2.261 18.907 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -8.446 0.718 19.561 1.00 10.49 H new ATOM 10 N SER A 365 -8.114 0.648 16.820 1.00 9.23 N ATOM 11 CA SER A 365 -8.323 0.165 15.462 1.00 8.58 C ATOM 12 C SER A 365 -7.495 -1.093 15.190 1.00 8.19 C ATOM 13 O SER A 365 -7.559 -1.667 14.103 1.00 8.25 O ATOM 14 CB SER A 365 -7.961 1.262 14.456 1.00 8.72 C ATOM 15 OG SER A 365 -8.707 2.447 14.697 1.00 9.06 O ATOM 0 H SER A 365 -7.144 0.613 17.135 1.00 9.23 H new ATOM 0 HA SER A 365 -9.376 -0.093 15.350 1.00 8.58 H new ATOM 0 HB2 SER A 365 -6.895 1.481 14.520 1.00 8.72 H new ATOM 0 HB3 SER A 365 -8.153 0.908 13.443 1.00 8.72 H new ATOM 0 HG SER A 365 -8.455 3.131 14.042 1.00 9.06 H new ATOM 21 N LYS A 366 -6.728 -1.529 16.186 1.00 8.06 N ATOM 22 CA LYS A 366 -5.846 -2.677 16.017 1.00 8.04 C ATOM 23 C LYS A 366 -6.534 -3.961 16.465 1.00 7.21 C ATOM 24 O LYS A 366 -6.839 -4.139 17.646 1.00 7.19 O ATOM 25 CB LYS A 366 -4.556 -2.483 16.816 1.00 9.14 C ATOM 26 CG LYS A 366 -3.793 -1.215 16.468 1.00 9.84 C ATOM 27 CD LYS A 366 -3.273 -1.231 15.042 1.00 10.55 C ATOM 28 CE LYS A 366 -2.452 0.014 14.740 1.00 11.43 C ATOM 29 NZ LYS A 366 -3.245 1.262 14.898 1.00 12.01 N ATOM 0 H LYS A 366 -6.700 -1.106 17.114 1.00 8.06 H new ATOM 0 HA LYS A 366 -5.604 -2.759 14.957 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -4.799 -2.468 17.879 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -3.906 -3.342 16.650 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -4.444 -0.352 16.606 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -2.956 -1.096 17.157 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -2.661 -2.120 14.885 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -4.111 -1.294 14.348 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -1.589 0.048 15.404 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -2.068 -0.044 13.721 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -2.711 2.064 14.507 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -4.148 1.166 14.390 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -3.432 1.429 15.907 1.00 12.01 H new ATOM 43 N GLU A 367 -6.783 -4.846 15.516 1.00 6.82 N ATOM 44 CA GLU A 367 -7.383 -6.139 15.807 1.00 6.33 C ATOM 45 C GLU A 367 -6.297 -7.191 16.018 1.00 5.49 C ATOM 46 O GLU A 367 -5.369 -7.310 15.213 1.00 5.33 O ATOM 47 CB GLU A 367 -8.308 -6.551 14.665 1.00 6.67 C ATOM 48 CG GLU A 367 -9.482 -5.605 14.472 1.00 7.76 C ATOM 49 CD GLU A 367 -10.240 -5.874 13.194 1.00 8.29 C ATOM 50 OE1 GLU A 367 -11.102 -6.775 13.191 1.00 8.52 O ATOM 51 OE2 GLU A 367 -9.982 -5.183 12.184 1.00 8.69 O ATOM 0 H GLU A 367 -6.577 -4.692 14.529 1.00 6.82 H new ATOM 0 HA GLU A 367 -7.968 -6.060 16.723 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -7.733 -6.599 13.740 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -8.687 -7.555 14.857 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -10.161 -5.697 15.319 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -9.119 -4.577 14.465 1.00 7.76 H new ATOM 58 N ASN A 368 -6.413 -7.933 17.112 1.00 5.31 N ATOM 59 CA ASN A 368 -5.433 -8.955 17.470 1.00 4.94 C ATOM 60 C ASN A 368 -5.519 -10.153 16.528 1.00 4.43 C ATOM 61 O ASN A 368 -4.515 -10.805 16.246 1.00 4.57 O ATOM 62 CB ASN A 368 -5.627 -9.414 18.923 1.00 5.52 C ATOM 63 CG ASN A 368 -6.974 -10.078 19.173 1.00 5.70 C ATOM 64 OD1 ASN A 368 -7.979 -9.742 18.545 1.00 5.80 O ATOM 65 ND2 ASN A 368 -7.000 -11.023 20.098 1.00 6.18 N ATOM 0 H ASN A 368 -7.184 -7.846 17.774 1.00 5.31 H new ATOM 0 HA ASN A 368 -4.443 -8.510 17.373 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -4.832 -10.112 19.185 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -5.526 -8.554 19.585 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -7.874 -11.502 20.313 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -6.146 -11.273 20.596 1.00 6.18 H new ATOM 72 N MET A 369 -6.724 -10.440 16.053 1.00 4.24 N ATOM 73 CA MET A 369 -6.927 -11.498 15.076 1.00 4.21 C ATOM 74 C MET A 369 -6.357 -11.075 13.733 1.00 3.73 C ATOM 75 O MET A 369 -6.694 -10.005 13.227 1.00 3.81 O ATOM 76 CB MET A 369 -8.415 -11.822 14.933 1.00 4.95 C ATOM 77 CG MET A 369 -9.007 -12.524 16.142 1.00 5.74 C ATOM 78 SD MET A 369 -8.273 -14.146 16.434 1.00 6.64 S ATOM 79 CE MET A 369 -8.717 -14.998 14.920 1.00 6.99 C ATOM 0 H MET A 369 -7.576 -9.953 16.330 1.00 4.24 H new ATOM 0 HA MET A 369 -6.410 -12.394 15.421 1.00 4.21 H new ATOM 0 HB2 MET A 369 -8.964 -10.897 14.757 1.00 4.95 H new ATOM 0 HB3 MET A 369 -8.558 -12.450 14.054 1.00 4.95 H new ATOM 0 HG2 MET A 369 -8.864 -11.901 17.025 1.00 5.74 H new ATOM 0 HG3 MET A 369 -10.082 -12.636 16.002 1.00 5.74 H new ATOM 0 HE1 MET A 369 -9.023 -16.018 15.153 1.00 6.99 H new ATOM 0 HE2 MET A 369 -9.541 -14.474 14.436 1.00 6.99 H new ATOM 0 HE3 MET A 369 -7.858 -15.021 14.250 1.00 6.99 H new ATOM 89 N ALA A 370 -5.494 -11.918 13.173 1.00 3.73 N ATOM 90 CA ALA A 370 -4.807 -11.616 11.920 1.00 3.72 C ATOM 91 C ALA A 370 -5.791 -11.257 10.813 1.00 2.82 C ATOM 92 O ALA A 370 -6.492 -12.120 10.280 1.00 3.04 O ATOM 93 CB ALA A 370 -3.947 -12.796 11.501 1.00 4.68 C ATOM 0 H ALA A 370 -5.252 -12.825 13.572 1.00 3.73 H new ATOM 0 HA ALA A 370 -4.169 -10.748 12.087 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -3.439 -12.562 10.566 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -3.207 -13.000 12.275 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -4.577 -13.674 11.361 1.00 4.68 H new ATOM 99 N THR A 371 -5.844 -9.973 10.487 1.00 2.51 N ATOM 100 CA THR A 371 -6.733 -9.478 9.448 1.00 2.38 C ATOM 101 C THR A 371 -6.140 -9.721 8.066 1.00 2.34 C ATOM 102 O THR A 371 -6.861 -9.758 7.066 1.00 2.92 O ATOM 103 CB THR A 371 -7.007 -7.976 9.621 1.00 3.20 C ATOM 104 OG1 THR A 371 -5.769 -7.251 9.665 1.00 3.73 O ATOM 105 CG2 THR A 371 -7.796 -7.708 10.892 1.00 3.91 C ATOM 0 H THR A 371 -5.277 -9.251 10.932 1.00 2.51 H new ATOM 0 HA THR A 371 -7.672 -10.024 9.540 1.00 2.38 H new ATOM 0 HB THR A 371 -7.597 -7.641 8.768 1.00 3.20 H new ATOM 0 HG1 THR A 371 -5.954 -6.295 9.774 1.00 3.73 H new ATOM 0 HG21 THR A 371 -7.976 -6.637 10.990 1.00 3.91 H new ATOM 0 HG22 THR A 371 -8.750 -8.234 10.846 1.00 3.91 H new ATOM 0 HG23 THR A 371 -7.229 -8.061 11.753 1.00 3.91 H new ATOM 113 N LEU A 372 -4.812 -9.867 8.031 1.00 2.45 N ATOM 114 CA LEU A 372 -4.068 -10.127 6.799 1.00 3.23 C ATOM 115 C LEU A 372 -4.106 -8.907 5.874 1.00 3.17 C ATOM 116 O LEU A 372 -3.663 -8.970 4.725 1.00 3.84 O ATOM 117 CB LEU A 372 -4.618 -11.375 6.088 1.00 4.21 C ATOM 118 CG LEU A 372 -3.776 -11.905 4.923 1.00 5.23 C ATOM 119 CD1 LEU A 372 -2.410 -12.361 5.412 1.00 5.79 C ATOM 120 CD2 LEU A 372 -4.496 -13.042 4.219 1.00 5.95 C ATOM 0 H LEU A 372 -4.222 -9.808 8.861 1.00 2.45 H new ATOM 0 HA LEU A 372 -3.027 -10.317 7.061 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -4.727 -12.171 6.825 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -5.617 -11.147 5.715 1.00 4.21 H new ATOM 0 HG LEU A 372 -3.631 -11.094 4.209 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -1.828 -12.734 4.569 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -1.888 -11.521 5.870 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -2.534 -13.156 6.148 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -3.883 -13.406 3.394 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -4.673 -13.853 4.925 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -5.450 -12.684 3.831 1.00 5.95 H new ATOM 132 N PHE A 373 -4.625 -7.792 6.402 1.00 2.73 N ATOM 133 CA PHE A 373 -4.717 -6.532 5.662 1.00 2.88 C ATOM 134 C PHE A 373 -5.547 -6.709 4.389 1.00 3.00 C ATOM 135 O PHE A 373 -6.264 -7.700 4.243 1.00 3.30 O ATOM 136 CB PHE A 373 -3.318 -6.012 5.323 1.00 3.13 C ATOM 137 CG PHE A 373 -2.430 -5.823 6.522 1.00 3.28 C ATOM 138 CD1 PHE A 373 -2.549 -4.696 7.318 1.00 3.81 C ATOM 139 CD2 PHE A 373 -1.483 -6.777 6.857 1.00 3.36 C ATOM 140 CE1 PHE A 373 -1.739 -4.521 8.425 1.00 4.26 C ATOM 141 CE2 PHE A 373 -0.671 -6.609 7.961 1.00 3.64 C ATOM 142 CZ PHE A 373 -0.776 -5.465 8.727 1.00 4.05 C ATOM 0 H PHE A 373 -4.992 -7.740 7.352 1.00 2.73 H new ATOM 0 HA PHE A 373 -5.218 -5.798 6.294 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -2.839 -6.709 4.635 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -3.412 -5.061 4.799 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -3.284 -3.944 7.071 1.00 3.81 H new ATOM 0 HD2 PHE A 373 -1.379 -7.662 6.248 1.00 3.36 H new ATOM 0 HE1 PHE A 373 -1.859 -3.649 9.051 1.00 4.26 H new ATOM 0 HE2 PHE A 373 0.046 -7.372 8.225 1.00 3.64 H new ATOM 0 HZ PHE A 373 -0.107 -5.308 9.560 1.00 4.05 H new ATOM 152 N THR A 374 -5.471 -5.743 3.480 1.00 3.03 N ATOM 153 CA THR A 374 -6.238 -5.811 2.242 1.00 3.49 C ATOM 154 C THR A 374 -5.461 -5.261 1.053 1.00 3.30 C ATOM 155 O THR A 374 -5.239 -5.963 0.066 1.00 3.66 O ATOM 156 CB THR A 374 -7.571 -5.055 2.376 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.381 -3.857 3.146 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.619 -5.937 3.032 1.00 4.50 C ATOM 0 H THR A 374 -4.891 -4.910 3.576 1.00 3.03 H new ATOM 0 HA THR A 374 -6.437 -6.867 2.059 1.00 3.49 H new ATOM 0 HB THR A 374 -7.920 -4.785 1.379 1.00 3.95 H new ATOM 0 HG1 THR A 374 -8.234 -3.380 3.225 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.556 -5.386 3.119 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.777 -6.828 2.424 1.00 4.50 H new ATOM 0 HG23 THR A 374 -8.278 -6.231 4.025 1.00 4.50 H new ATOM 166 N ILE A 375 -5.049 -4.009 1.147 1.00 2.90 N ATOM 167 CA ILE A 375 -4.332 -3.359 0.059 1.00 2.78 C ATOM 168 C ILE A 375 -2.869 -3.774 0.068 1.00 2.33 C ATOM 169 O ILE A 375 -2.063 -3.232 0.827 1.00 1.93 O ATOM 170 CB ILE A 375 -4.428 -1.822 0.155 1.00 2.85 C ATOM 171 CG1 ILE A 375 -5.892 -1.371 0.100 1.00 3.47 C ATOM 172 CG2 ILE A 375 -3.622 -1.166 -0.964 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.530 -1.516 -1.264 1.00 3.98 C ATOM 0 H ILE A 375 -5.198 -3.420 1.966 1.00 2.90 H new ATOM 0 HA ILE A 375 -4.798 -3.676 -0.874 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.008 -1.509 1.111 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.467 -1.950 0.822 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -5.952 -0.327 0.409 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -3.700 -0.082 -0.882 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -2.576 -1.462 -0.880 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.013 -1.486 -1.930 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.565 -1.176 -1.220 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -5.981 -0.914 -1.988 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.505 -2.562 -1.568 1.00 3.98 H new ATOM 185 N TRP A 376 -2.538 -4.752 -0.759 1.00 2.60 N ATOM 186 CA TRP A 376 -1.174 -5.241 -0.848 1.00 2.50 C ATOM 187 C TRP A 376 -0.353 -4.345 -1.761 1.00 2.39 C ATOM 188 O TRP A 376 -0.464 -4.418 -2.985 1.00 2.84 O ATOM 189 CB TRP A 376 -1.153 -6.684 -1.366 1.00 3.11 C ATOM 190 CG TRP A 376 0.202 -7.322 -1.302 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.198 -7.236 -2.234 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.708 -8.149 -0.250 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.296 -7.947 -1.818 1.00 3.79 N ATOM 194 CE2 TRP A 376 2.020 -8.519 -0.604 1.00 3.72 C ATOM 195 CE3 TRP A 376 0.183 -8.609 0.961 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.811 -9.327 0.209 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.970 -9.411 1.766 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.272 -9.761 1.388 1.00 4.01 C ATOM 0 H TRP A 376 -3.197 -5.223 -1.379 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.735 -5.224 0.150 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.855 -7.281 -0.784 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.503 -6.696 -2.398 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.131 -6.688 -3.162 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.174 -8.035 -2.329 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -0.819 -8.343 1.262 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.814 -9.601 -0.082 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.574 -9.774 2.703 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.862 -10.387 2.041 1.00 4.01 H new ATOM 209 N CYS A 377 0.463 -3.490 -1.169 1.00 1.89 N ATOM 210 CA CYS A 377 1.359 -2.656 -1.941 1.00 1.87 C ATOM 211 C CYS A 377 2.570 -3.475 -2.354 1.00 2.35 C ATOM 212 O CYS A 377 3.452 -3.741 -1.538 1.00 2.34 O ATOM 213 CB CYS A 377 1.802 -1.422 -1.144 1.00 1.27 C ATOM 214 SG CYS A 377 2.929 -0.347 -2.067 1.00 1.50 S ATOM 0 H CYS A 377 0.521 -3.357 -0.159 1.00 1.89 H new ATOM 0 HA CYS A 377 0.830 -2.303 -2.826 1.00 1.87 H new ATOM 0 HB2 CYS A 377 0.921 -0.850 -0.852 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.290 -1.746 -0.225 1.00 1.27 H new ATOM 219 N THR A 378 2.604 -3.883 -3.616 1.00 2.94 N ATOM 220 CA THR A 378 3.696 -4.702 -4.125 1.00 3.52 C ATOM 221 C THR A 378 5.013 -3.936 -4.069 1.00 3.48 C ATOM 222 O THR A 378 6.089 -4.523 -3.988 1.00 3.86 O ATOM 223 CB THR A 378 3.425 -5.152 -5.573 1.00 4.16 C ATOM 224 OG1 THR A 378 3.250 -4.006 -6.418 1.00 4.33 O ATOM 225 CG2 THR A 378 2.188 -6.035 -5.649 1.00 4.41 C ATOM 0 H THR A 378 1.887 -3.660 -4.306 1.00 2.94 H new ATOM 0 HA THR A 378 3.767 -5.586 -3.491 1.00 3.52 H new ATOM 0 HB THR A 378 4.284 -5.730 -5.914 1.00 4.16 H new ATOM 0 HG1 THR A 378 3.080 -4.300 -7.337 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.020 -6.338 -6.682 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.334 -6.920 -5.030 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.322 -5.480 -5.289 1.00 4.41 H new ATOM 233 N LEU A 379 4.904 -2.613 -4.103 1.00 3.11 N ATOM 234 CA LEU A 379 6.055 -1.733 -4.011 1.00 3.12 C ATOM 235 C LEU A 379 6.657 -1.784 -2.610 1.00 2.90 C ATOM 236 O LEU A 379 7.826 -1.461 -2.409 1.00 3.23 O ATOM 237 CB LEU A 379 5.658 -0.291 -4.359 1.00 2.85 C ATOM 238 CG LEU A 379 5.288 -0.045 -5.827 1.00 3.33 C ATOM 239 CD1 LEU A 379 4.019 -0.780 -6.208 1.00 3.73 C ATOM 240 CD2 LEU A 379 5.133 1.441 -6.098 1.00 3.32 C ATOM 0 H LEU A 379 4.014 -2.124 -4.195 1.00 3.11 H new ATOM 0 HA LEU A 379 6.803 -2.074 -4.727 1.00 3.12 H new ATOM 0 HB2 LEU A 379 4.811 -0.005 -3.736 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.484 0.369 -4.095 1.00 2.85 H new ATOM 0 HG LEU A 379 6.101 -0.433 -6.441 1.00 3.33 H new ATOM 0 HD11 LEU A 379 3.785 -0.584 -7.254 1.00 3.73 H new ATOM 0 HD12 LEU A 379 4.161 -1.851 -6.062 1.00 3.73 H new ATOM 0 HD13 LEU A 379 3.196 -0.435 -5.582 1.00 3.73 H new ATOM 0 HD21 LEU A 379 4.871 1.595 -7.145 1.00 3.32 H new ATOM 0 HD22 LEU A 379 4.345 1.846 -5.463 1.00 3.32 H new ATOM 0 HD23 LEU A 379 6.072 1.950 -5.881 1.00 3.32 H new ATOM 252 N CYS A 380 5.846 -2.191 -1.644 1.00 2.49 N ATOM 253 CA CYS A 380 6.289 -2.291 -0.263 1.00 2.51 C ATOM 254 C CYS A 380 6.383 -3.745 0.189 1.00 2.94 C ATOM 255 O CYS A 380 6.864 -4.033 1.286 1.00 3.19 O ATOM 256 CB CYS A 380 5.343 -1.516 0.652 1.00 1.96 C ATOM 257 SG CYS A 380 5.561 0.272 0.573 1.00 1.82 S ATOM 0 H CYS A 380 4.873 -2.458 -1.794 1.00 2.49 H new ATOM 0 HA CYS A 380 7.286 -1.855 -0.200 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.314 -1.760 0.387 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.494 -1.846 1.680 1.00 1.96 H new ATOM 262 N ASP A 381 5.905 -4.652 -0.667 1.00 3.16 N ATOM 263 CA ASP A 381 5.941 -6.094 -0.403 1.00 3.64 C ATOM 264 C ASP A 381 5.141 -6.434 0.858 1.00 3.40 C ATOM 265 O ASP A 381 5.410 -7.420 1.545 1.00 3.81 O ATOM 266 CB ASP A 381 7.393 -6.574 -0.276 1.00 4.29 C ATOM 267 CG ASP A 381 7.525 -8.084 -0.286 1.00 4.85 C ATOM 268 OD1 ASP A 381 7.195 -8.710 -1.314 1.00 4.47 O ATOM 269 OD2 ASP A 381 7.988 -8.653 0.724 1.00 5.79 O ATOM 0 H ASP A 381 5.482 -4.408 -1.563 1.00 3.16 H new ATOM 0 HA ASP A 381 5.479 -6.613 -1.243 1.00 3.64 H new ATOM 0 HB2 ASP A 381 7.979 -6.159 -1.096 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.818 -6.185 0.649 1.00 4.29 H new ATOM 274 N ARG A 382 4.151 -5.608 1.150 1.00 2.80 N ATOM 275 CA ARG A 382 3.314 -5.790 2.326 1.00 2.63 C ATOM 276 C ARG A 382 1.985 -5.091 2.109 1.00 2.07 C ATOM 277 O ARG A 382 1.858 -4.253 1.214 1.00 1.71 O ATOM 278 CB ARG A 382 4.005 -5.239 3.576 1.00 2.81 C ATOM 279 CG ARG A 382 4.250 -3.740 3.534 1.00 2.50 C ATOM 280 CD ARG A 382 4.966 -3.259 4.784 1.00 2.97 C ATOM 281 NE ARG A 382 6.283 -3.876 4.932 1.00 3.24 N ATOM 282 CZ ARG A 382 7.067 -3.709 5.992 1.00 3.71 C ATOM 283 NH1 ARG A 382 6.673 -2.937 6.999 1.00 3.88 N ATOM 284 NH2 ARG A 382 8.246 -4.318 6.045 1.00 4.27 N ATOM 0 H ARG A 382 3.905 -4.797 0.583 1.00 2.80 H new ATOM 0 HA ARG A 382 3.144 -6.856 2.478 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.396 -5.473 4.449 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.959 -5.750 3.707 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.844 -3.492 2.655 1.00 2.50 H new ATOM 0 HG3 ARG A 382 3.299 -3.217 3.434 1.00 2.50 H new ATOM 0 HD2 ARG A 382 5.076 -2.175 4.745 1.00 2.97 H new ATOM 0 HD3 ARG A 382 4.359 -3.486 5.660 1.00 2.97 H new ATOM 0 HE ARG A 382 6.621 -4.471 4.176 1.00 3.24 H new ATOM 0 HH11 ARG A 382 5.767 -2.471 6.960 1.00 3.88 H new ATOM 0 HH12 ARG A 382 7.277 -2.811 7.811 1.00 3.88 H new ATOM 0 HH21 ARG A 382 8.548 -4.912 5.273 1.00 4.27 H new ATOM 0 HH22 ARG A 382 8.849 -4.191 6.858 1.00 4.27 H new ATOM 298 N ALA A 383 1.004 -5.424 2.924 1.00 2.12 N ATOM 299 CA ALA A 383 -0.327 -4.885 2.750 1.00 1.86 C ATOM 300 C ALA A 383 -0.707 -3.950 3.882 1.00 1.87 C ATOM 301 O ALA A 383 -0.142 -4.003 4.974 1.00 2.20 O ATOM 302 CB ALA A 383 -1.336 -6.014 2.630 1.00 2.24 C ATOM 0 H ALA A 383 1.105 -6.064 3.712 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.333 -4.301 1.829 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.335 -5.597 2.499 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.087 -6.635 1.770 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.312 -6.621 3.535 1.00 2.24 H new ATOM 308 N TYR A 384 -1.666 -3.089 3.592 1.00 1.86 N ATOM 309 CA TYR A 384 -2.200 -2.145 4.556 1.00 2.28 C ATOM 310 C TYR A 384 -3.725 -2.247 4.561 1.00 2.69 C ATOM 311 O TYR A 384 -4.314 -2.779 3.618 1.00 2.63 O ATOM 312 CB TYR A 384 -1.748 -0.724 4.193 1.00 2.27 C ATOM 313 CG TYR A 384 -0.274 -0.475 4.433 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.179 -0.053 5.676 1.00 2.15 C ATOM 315 CD2 TYR A 384 0.664 -0.670 3.424 1.00 2.37 C ATOM 316 CE1 TYR A 384 1.521 0.170 5.908 1.00 2.34 C ATOM 317 CE2 TYR A 384 2.010 -0.452 3.651 1.00 2.31 C ATOM 318 CZ TYR A 384 2.434 -0.031 4.895 1.00 2.17 C ATOM 319 OH TYR A 384 3.774 0.178 5.133 1.00 2.46 O ATOM 0 H TYR A 384 -2.100 -3.025 2.671 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.827 -2.377 5.554 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -1.973 -0.538 3.143 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.328 -0.008 4.775 1.00 2.27 H new ATOM 0 HD1 TYR A 384 -0.531 0.103 6.475 1.00 2.15 H new ATOM 0 HD2 TYR A 384 0.335 -0.997 2.448 1.00 2.37 H new ATOM 0 HE1 TYR A 384 1.855 0.501 6.880 1.00 2.34 H new ATOM 0 HE2 TYR A 384 2.726 -0.610 2.859 1.00 2.31 H new ATOM 0 HH TYR A 384 4.284 -0.009 4.317 1.00 2.46 H new ATOM 329 N PRO A 385 -4.388 -1.756 5.631 1.00 3.25 N ATOM 330 CA PRO A 385 -5.857 -1.795 5.741 1.00 3.72 C ATOM 331 C PRO A 385 -6.543 -0.864 4.745 1.00 3.86 C ATOM 332 O PRO A 385 -7.771 -0.798 4.682 1.00 4.19 O ATOM 333 CB PRO A 385 -6.120 -1.325 7.175 1.00 4.33 C ATOM 334 CG PRO A 385 -4.928 -0.507 7.529 1.00 4.36 C ATOM 335 CD PRO A 385 -3.766 -1.149 6.825 1.00 3.62 C ATOM 0 HA PRO A 385 -6.252 -2.787 5.521 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -7.036 -0.738 7.237 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -6.236 -2.170 7.854 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -5.055 0.527 7.210 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.771 -0.491 8.608 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -3.005 -0.417 6.554 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -3.280 -1.898 7.451 1.00 3.62 H new ATOM 343 N SER A 386 -5.733 -0.145 3.978 1.00 3.73 N ATOM 344 CA SER A 386 -6.211 0.754 2.947 1.00 3.96 C ATOM 345 C SER A 386 -5.020 1.152 2.076 1.00 3.45 C ATOM 346 O SER A 386 -3.958 0.540 2.192 1.00 2.87 O ATOM 347 CB SER A 386 -6.880 1.982 3.575 1.00 4.60 C ATOM 348 OG SER A 386 -7.543 2.777 2.601 1.00 5.22 O ATOM 0 H SER A 386 -4.717 -0.173 4.059 1.00 3.73 H new ATOM 0 HA SER A 386 -6.963 0.261 2.331 1.00 3.96 H new ATOM 0 HB2 SER A 386 -7.597 1.659 4.330 1.00 4.60 H new ATOM 0 HB3 SER A 386 -6.129 2.584 4.086 1.00 4.60 H new ATOM 0 HG SER A 386 -7.959 3.550 3.037 1.00 5.22 H new ATOM 354 N ASP A 387 -5.190 2.155 1.223 1.00 3.74 N ATOM 355 CA ASP A 387 -4.134 2.567 0.291 1.00 3.41 C ATOM 356 C ASP A 387 -2.824 2.865 1.021 1.00 3.00 C ATOM 357 O ASP A 387 -2.825 3.322 2.171 1.00 3.29 O ATOM 358 CB ASP A 387 -4.574 3.787 -0.517 1.00 3.99 C ATOM 359 CG ASP A 387 -5.563 3.430 -1.608 1.00 4.53 C ATOM 360 OD1 ASP A 387 -6.761 3.253 -1.299 1.00 4.59 O ATOM 361 OD2 ASP A 387 -5.143 3.315 -2.782 1.00 5.09 O ATOM 0 H ASP A 387 -6.048 2.702 1.153 1.00 3.74 H new ATOM 0 HA ASP A 387 -3.958 1.735 -0.391 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -5.024 4.520 0.152 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.699 4.259 -0.964 1.00 3.99 H new ATOM 366 N CYS A 388 -1.714 2.604 0.337 1.00 2.47 N ATOM 367 CA CYS A 388 -0.392 2.700 0.938 1.00 2.15 C ATOM 368 C CYS A 388 -0.052 4.148 1.284 1.00 2.66 C ATOM 369 O CYS A 388 -0.234 5.047 0.466 1.00 2.92 O ATOM 370 CB CYS A 388 0.675 2.125 -0.002 1.00 1.60 C ATOM 371 SG CYS A 388 2.340 2.184 0.700 1.00 1.51 S ATOM 0 H CYS A 388 -1.707 2.322 -0.643 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.403 2.116 1.858 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.423 1.091 -0.240 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.662 2.680 -0.940 1.00 1.60 H new ATOM 376 N PRO A 389 0.466 4.381 2.507 1.00 2.96 N ATOM 377 CA PRO A 389 0.794 5.725 3.008 1.00 3.57 C ATOM 378 C PRO A 389 1.790 6.494 2.137 1.00 3.52 C ATOM 379 O PRO A 389 1.911 7.711 2.270 1.00 4.04 O ATOM 380 CB PRO A 389 1.417 5.457 4.383 1.00 3.90 C ATOM 381 CG PRO A 389 0.910 4.118 4.783 1.00 3.60 C ATOM 382 CD PRO A 389 0.759 3.340 3.511 1.00 2.92 C ATOM 0 HA PRO A 389 -0.098 6.351 3.022 1.00 3.57 H new ATOM 0 HB2 PRO A 389 2.506 5.467 4.331 1.00 3.90 H new ATOM 0 HB3 PRO A 389 1.125 6.221 5.104 1.00 3.90 H new ATOM 0 HG2 PRO A 389 1.604 3.624 5.463 1.00 3.60 H new ATOM 0 HG3 PRO A 389 -0.043 4.201 5.306 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.668 2.790 3.266 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.047 2.610 3.580 1.00 2.92 H new ATOM 390 N GLU A 390 2.512 5.796 1.267 1.00 3.00 N ATOM 391 CA GLU A 390 3.522 6.448 0.438 1.00 3.02 C ATOM 392 C GLU A 390 3.271 6.207 -1.054 1.00 2.79 C ATOM 393 O GLU A 390 3.875 6.861 -1.907 1.00 3.12 O ATOM 394 CB GLU A 390 4.916 5.937 0.822 1.00 2.87 C ATOM 395 CG GLU A 390 6.058 6.779 0.277 1.00 3.42 C ATOM 396 CD GLU A 390 7.421 6.186 0.574 1.00 3.53 C ATOM 397 OE1 GLU A 390 7.707 5.898 1.754 1.00 3.63 O ATOM 398 OE2 GLU A 390 8.223 6.024 -0.370 1.00 3.98 O ATOM 0 H GLU A 390 2.420 4.791 1.118 1.00 3.00 H new ATOM 0 HA GLU A 390 3.461 7.522 0.616 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.992 5.902 1.909 1.00 2.87 H new ATOM 0 HB3 GLU A 390 5.028 4.915 0.461 1.00 2.87 H new ATOM 0 HG2 GLU A 390 5.941 6.887 -0.801 1.00 3.42 H new ATOM 0 HG3 GLU A 390 6.001 7.780 0.705 1.00 3.42 H new ATOM 405 N HIS A 391 2.374 5.281 -1.374 1.00 2.46 N ATOM 406 CA HIS A 391 2.166 4.877 -2.766 1.00 2.55 C ATOM 407 C HIS A 391 0.710 5.020 -3.192 1.00 2.98 C ATOM 408 O HIS A 391 0.346 4.705 -4.325 1.00 3.51 O ATOM 409 CB HIS A 391 2.660 3.444 -2.982 1.00 2.20 C ATOM 410 CG HIS A 391 4.149 3.327 -2.862 1.00 2.05 C ATOM 411 ND1 HIS A 391 4.745 2.637 -1.833 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.110 3.864 -3.651 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.046 2.778 -2.019 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.316 3.512 -3.107 1.00 2.43 N ATOM 0 H HIS A 391 1.783 4.798 -0.698 1.00 2.46 H new ATOM 0 HA HIS A 391 2.749 5.549 -3.395 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.187 2.786 -2.253 1.00 2.20 H new ATOM 0 HB3 HIS A 391 2.350 3.101 -3.969 1.00 2.20 H new ATOM 0 HD2 HIS A 391 4.955 4.457 -4.540 1.00 2.40 H new ATOM 0 HE1 HIS A 391 6.800 2.353 -1.373 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.240 3.760 -3.461 1.00 2.43 H new ATOM 422 N GLY A 392 -0.119 5.493 -2.282 1.00 2.94 N ATOM 423 CA GLY A 392 -1.507 5.741 -2.595 1.00 3.41 C ATOM 424 C GLY A 392 -2.053 6.859 -1.744 1.00 3.36 C ATOM 425 O GLY A 392 -1.281 7.517 -1.046 1.00 3.30 O ATOM 0 H GLY A 392 0.147 5.712 -1.322 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -1.607 5.998 -3.650 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -2.090 4.834 -2.431 1.00 3.41 H new ATOM 429 N PRO A 393 -3.370 7.119 -1.792 1.00 3.77 N ATOM 430 CA PRO A 393 -4.017 8.062 -0.879 1.00 4.00 C ATOM 431 C PRO A 393 -3.709 7.707 0.570 1.00 3.65 C ATOM 432 O PRO A 393 -4.266 6.751 1.116 1.00 3.97 O ATOM 433 CB PRO A 393 -5.508 7.886 -1.178 1.00 4.78 C ATOM 434 CG PRO A 393 -5.553 7.377 -2.578 1.00 5.05 C ATOM 435 CD PRO A 393 -4.323 6.529 -2.747 1.00 4.39 C ATOM 0 HA PRO A 393 -3.676 9.088 -1.015 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -5.971 7.183 -0.486 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -6.046 8.829 -1.082 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -6.457 6.793 -2.753 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -5.562 8.200 -3.293 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -4.523 5.482 -2.521 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -3.945 6.568 -3.769 1.00 4.39 H new ATOM 443 N VAL A 394 -2.798 8.468 1.170 1.00 3.51 N ATOM 444 CA VAL A 394 -2.268 8.163 2.492 1.00 3.72 C ATOM 445 C VAL A 394 -3.375 7.940 3.521 1.00 3.98 C ATOM 446 O VAL A 394 -4.170 8.833 3.827 1.00 4.76 O ATOM 447 CB VAL A 394 -1.294 9.264 2.976 1.00 4.22 C ATOM 448 CG1 VAL A 394 -1.944 10.636 2.908 1.00 4.46 C ATOM 449 CG2 VAL A 394 -0.794 8.968 4.384 1.00 4.69 C ATOM 0 H VAL A 394 -2.408 9.313 0.752 1.00 3.51 H new ATOM 0 HA VAL A 394 -1.714 7.229 2.397 1.00 3.72 H new ATOM 0 HB VAL A 394 -0.434 9.267 2.307 1.00 4.22 H new ATOM 0 HG11 VAL A 394 -1.238 11.391 3.254 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -2.231 10.852 1.879 1.00 4.46 H new ATOM 0 HG13 VAL A 394 -2.830 10.651 3.543 1.00 4.46 H new ATOM 0 HG21 VAL A 394 -0.111 9.756 4.701 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -1.641 8.924 5.069 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -0.272 8.011 4.391 1.00 4.69 H new ATOM 459 N THR A 395 -3.431 6.715 4.015 1.00 3.71 N ATOM 460 CA THR A 395 -4.391 6.333 5.031 1.00 4.37 C ATOM 461 C THR A 395 -3.925 6.799 6.406 1.00 4.14 C ATOM 462 O THR A 395 -4.631 7.532 7.100 1.00 4.55 O ATOM 463 CB THR A 395 -4.577 4.807 5.044 1.00 4.99 C ATOM 464 OG1 THR A 395 -4.881 4.347 3.721 1.00 5.13 O ATOM 465 CG2 THR A 395 -5.693 4.400 5.996 1.00 5.72 C ATOM 0 H THR A 395 -2.812 5.959 3.722 1.00 3.71 H new ATOM 0 HA THR A 395 -5.343 6.809 4.796 1.00 4.37 H new ATOM 0 HB THR A 395 -3.649 4.352 5.389 1.00 4.99 H new ATOM 0 HG1 THR A 395 -4.064 4.016 3.294 1.00 5.13 H new ATOM 0 HG21 THR A 395 -5.803 3.316 5.985 1.00 5.72 H new ATOM 0 HG22 THR A 395 -5.448 4.730 7.006 1.00 5.72 H new ATOM 0 HG23 THR A 395 -6.628 4.863 5.680 1.00 5.72 H new ATOM 473 N PHE A 396 -2.730 6.371 6.779 1.00 3.97 N ATOM 474 CA PHE A 396 -2.137 6.718 8.058 1.00 4.15 C ATOM 475 C PHE A 396 -0.656 6.378 8.029 1.00 4.04 C ATOM 476 O PHE A 396 -0.282 5.282 7.609 1.00 4.16 O ATOM 477 CB PHE A 396 -2.832 5.962 9.199 1.00 4.81 C ATOM 478 CG PHE A 396 -2.212 6.183 10.552 1.00 5.16 C ATOM 479 CD1 PHE A 396 -2.464 7.347 11.263 1.00 5.38 C ATOM 480 CD2 PHE A 396 -1.376 5.230 11.110 1.00 5.72 C ATOM 481 CE1 PHE A 396 -1.894 7.555 12.504 1.00 6.07 C ATOM 482 CE2 PHE A 396 -0.803 5.433 12.352 1.00 6.40 C ATOM 483 CZ PHE A 396 -1.068 6.587 13.053 1.00 6.54 C ATOM 0 H PHE A 396 -2.143 5.771 6.200 1.00 3.97 H new ATOM 0 HA PHE A 396 -2.264 7.786 8.233 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -3.878 6.266 9.237 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -2.818 4.895 8.975 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -3.114 8.100 10.841 1.00 5.38 H new ATOM 0 HD2 PHE A 396 -1.169 4.318 10.569 1.00 5.72 H new ATOM 0 HE1 PHE A 396 -2.091 8.469 13.045 1.00 6.07 H new ATOM 0 HE2 PHE A 396 -0.147 4.685 12.772 1.00 6.40 H new ATOM 0 HZ PHE A 396 -0.633 6.738 14.030 1.00 6.54 H new ATOM 493 N VAL A 397 0.184 7.311 8.445 1.00 4.36 N ATOM 494 CA VAL A 397 1.614 7.061 8.494 1.00 4.90 C ATOM 495 C VAL A 397 2.032 6.637 9.905 1.00 5.50 C ATOM 496 O VAL A 397 1.977 7.423 10.851 1.00 5.82 O ATOM 497 CB VAL A 397 2.440 8.285 8.015 1.00 5.50 C ATOM 498 CG1 VAL A 397 2.095 9.545 8.798 1.00 5.77 C ATOM 499 CG2 VAL A 397 3.930 7.992 8.095 1.00 6.17 C ATOM 0 H VAL A 397 -0.097 8.242 8.752 1.00 4.36 H new ATOM 0 HA VAL A 397 1.828 6.245 7.803 1.00 4.90 H new ATOM 0 HB VAL A 397 2.177 8.468 6.973 1.00 5.50 H new ATOM 0 HG11 VAL A 397 2.695 10.377 8.431 1.00 5.77 H new ATOM 0 HG12 VAL A 397 1.038 9.776 8.669 1.00 5.77 H new ATOM 0 HG13 VAL A 397 2.305 9.385 9.856 1.00 5.77 H new ATOM 0 HG21 VAL A 397 4.491 8.863 7.755 1.00 6.17 H new ATOM 0 HG22 VAL A 397 4.201 7.766 9.126 1.00 6.17 H new ATOM 0 HG23 VAL A 397 4.167 7.137 7.461 1.00 6.17 H new ATOM 509 N PRO A 398 2.420 5.364 10.068 1.00 5.97 N ATOM 510 CA PRO A 398 2.842 4.831 11.364 1.00 6.86 C ATOM 511 C PRO A 398 4.283 5.203 11.697 1.00 7.67 C ATOM 512 O PRO A 398 4.714 5.121 12.847 1.00 8.36 O ATOM 513 CB PRO A 398 2.703 3.322 11.175 1.00 7.35 C ATOM 514 CG PRO A 398 2.948 3.097 9.721 1.00 6.95 C ATOM 515 CD PRO A 398 2.458 4.333 9.009 1.00 6.01 C ATOM 0 HA PRO A 398 2.252 5.228 12.190 1.00 6.86 H new ATOM 0 HB2 PRO A 398 3.423 2.779 11.786 1.00 7.35 H new ATOM 0 HB3 PRO A 398 1.712 2.976 11.467 1.00 7.35 H new ATOM 0 HG2 PRO A 398 4.008 2.932 9.527 1.00 6.95 H new ATOM 0 HG3 PRO A 398 2.418 2.211 9.371 1.00 6.95 H new ATOM 0 HD2 PRO A 398 3.128 4.618 8.198 1.00 6.01 H new ATOM 0 HD3 PRO A 398 1.473 4.176 8.569 1.00 6.01 H new ATOM 523 N ASP A 399 5.023 5.612 10.680 1.00 7.83 N ATOM 524 CA ASP A 399 6.419 5.986 10.851 1.00 8.78 C ATOM 525 C ASP A 399 6.540 7.489 11.051 1.00 9.15 C ATOM 526 O ASP A 399 6.694 8.251 10.095 1.00 9.38 O ATOM 527 CB ASP A 399 7.242 5.539 9.641 1.00 9.18 C ATOM 528 CG ASP A 399 8.709 5.902 9.764 1.00 9.69 C ATOM 529 OD1 ASP A 399 9.381 5.374 10.673 1.00 9.49 O ATOM 530 OD2 ASP A 399 9.191 6.739 8.970 1.00 10.47 O ATOM 0 H ASP A 399 4.679 5.694 9.723 1.00 7.83 H new ATOM 0 HA ASP A 399 6.809 5.485 11.737 1.00 8.78 H new ATOM 0 HB2 ASP A 399 7.148 4.460 9.522 1.00 9.18 H new ATOM 0 HB3 ASP A 399 6.833 5.996 8.740 1.00 9.18 H new ATOM 535 N THR A 400 6.429 7.912 12.298 1.00 9.46 N ATOM 536 CA THR A 400 6.532 9.319 12.638 1.00 10.09 C ATOM 537 C THR A 400 7.697 9.557 13.599 1.00 10.99 C ATOM 538 O THR A 400 7.547 9.430 14.814 1.00 11.20 O ATOM 539 CB THR A 400 5.218 9.831 13.267 1.00 10.16 C ATOM 540 OG1 THR A 400 4.116 9.541 12.396 1.00 9.95 O ATOM 541 CG2 THR A 400 5.277 11.328 13.521 1.00 10.17 C ATOM 0 H THR A 400 6.267 7.297 13.095 1.00 9.46 H new ATOM 0 HA THR A 400 6.716 9.873 11.717 1.00 10.09 H new ATOM 0 HB THR A 400 5.081 9.323 14.221 1.00 10.16 H new ATOM 0 HG1 THR A 400 3.285 9.866 12.801 1.00 9.95 H new ATOM 0 HG21 THR A 400 4.338 11.659 13.964 1.00 10.17 H new ATOM 0 HG22 THR A 400 6.098 11.549 14.203 1.00 10.17 H new ATOM 0 HG23 THR A 400 5.438 11.851 12.578 1.00 10.17 H new ATOM 549 N PRO A 401 8.887 9.869 13.059 1.00 11.70 N ATOM 550 CA PRO A 401 10.065 10.190 13.868 1.00 12.73 C ATOM 551 C PRO A 401 9.875 11.474 14.673 1.00 13.37 C ATOM 552 O PRO A 401 10.125 12.576 14.179 1.00 13.87 O ATOM 553 CB PRO A 401 11.188 10.366 12.834 1.00 13.30 C ATOM 554 CG PRO A 401 10.677 9.726 11.589 1.00 12.82 C ATOM 555 CD PRO A 401 9.188 9.902 11.621 1.00 11.73 C ATOM 0 HA PRO A 401 10.274 9.414 14.604 1.00 12.73 H new ATOM 0 HB2 PRO A 401 11.412 11.420 12.671 1.00 13.30 H new ATOM 0 HB3 PRO A 401 12.110 9.892 13.170 1.00 13.30 H new ATOM 0 HG2 PRO A 401 11.107 10.194 10.704 1.00 12.82 H new ATOM 0 HG3 PRO A 401 10.945 8.670 11.553 1.00 12.82 H new ATOM 0 HD2 PRO A 401 8.882 10.844 11.165 1.00 11.73 H new ATOM 0 HD3 PRO A 401 8.675 9.106 11.082 1.00 11.73 H new ATOM 563 N ILE A 402 9.398 11.324 15.897 1.00 13.49 N ATOM 564 CA ILE A 402 9.235 12.449 16.803 1.00 14.27 C ATOM 565 C ILE A 402 9.975 12.189 18.110 1.00 14.82 C ATOM 566 O ILE A 402 9.345 11.726 19.082 1.00 15.17 O ATOM 567 CB ILE A 402 7.746 12.753 17.087 1.00 14.27 C ATOM 568 CG1 ILE A 402 6.957 11.454 17.309 1.00 14.67 C ATOM 569 CG2 ILE A 402 7.145 13.565 15.947 1.00 14.20 C ATOM 570 CD1 ILE A 402 5.495 11.675 17.628 1.00 15.06 C ATOM 571 OXT ILE A 402 11.200 12.425 18.145 1.00 15.02 O ATOM 0 H ILE A 402 9.115 10.426 16.289 1.00 13.49 H new ATOM 0 HA ILE A 402 9.663 13.324 16.314 1.00 14.27 H new ATOM 0 HB ILE A 402 7.682 13.344 18.001 1.00 14.27 H new ATOM 0 HG12 ILE A 402 7.035 10.835 16.415 1.00 14.67 H new ATOM 0 HG13 ILE A 402 7.417 10.895 18.124 1.00 14.67 H new ATOM 0 HG21 ILE A 402 6.096 13.772 16.161 1.00 14.20 H new ATOM 0 HG22 ILE A 402 7.687 14.505 15.845 1.00 14.20 H new ATOM 0 HG23 ILE A 402 7.221 13.000 15.018 1.00 14.20 H new ATOM 0 HD11 ILE A 402 5.004 10.712 17.771 1.00 15.06 H new ATOM 0 HD12 ILE A 402 5.407 12.267 18.539 1.00 15.06 H new ATOM 0 HD13 ILE A 402 5.019 12.206 16.803 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 3.898 1.227 -0.699 1.00 1.27 ZN