USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 261 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 448 TYR OH : rot 180:sc=-0.00166 USER MOD Set 1.2: A 450 ASN : amide:sc= 0 X(o=-0.0017,f=0.022) USER MOD Single : A 433 SER OG : rot 27:sc= 0.147 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.17) USER MOD Single : A 440 THR OG1 : rot -63:sc= 0.308 USER MOD Single : A 444 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.2) USER MOD Single : A 445 THR OG1 : rot 48:sc= 0.0422 USER MOD Single : A 446 TYR OH : rot 180:sc= -1.79! USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -5.67! C(o=-5.7!,f=-14!) USER MOD Single : A 452 THR OG1 : rot -17:sc= 0.96 USER MOD Single : A 455 SER OG : rot 37:sc= 0.707 USER MOD Single : A 456 THR OG1 : rot -125:sc= -3.04! USER MOD Single : A 459 LYS NZ :NH3+ -130:sc= -1.1! (180deg=-4.67!) USER MOD Single : A 461 GLN : amide:sc= -2.32! C(o=-2.3!,f=-4.1!) USER MOD Single : A 464 LYS NZ :NH3+ -132:sc= -1.74! (180deg=-4.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 433 -3.228 7.814 -4.688 1.00 15.00 N ATOM 2 CA SER A 433 -2.087 8.609 -5.186 1.00 15.00 C ATOM 3 C SER A 433 -1.028 8.807 -4.098 1.00 15.00 C ATOM 4 O SER A 433 0.162 8.912 -4.393 1.00 15.00 O ATOM 5 CB SER A 433 -2.583 9.967 -5.685 1.00 15.00 C ATOM 6 OG SER A 433 -3.646 9.810 -6.615 1.00 15.00 O ATOM 0 HA SER A 433 -1.625 8.063 -6.009 1.00 15.00 H new ATOM 0 HB2 SER A 433 -2.920 10.568 -4.840 1.00 15.00 H new ATOM 0 HB3 SER A 433 -1.761 10.508 -6.154 1.00 15.00 H new ATOM 0 HG SER A 433 -4.113 8.967 -6.439 1.00 15.00 H new ATOM 12 N GLU A 434 -1.466 8.877 -2.847 1.00 15.00 N ATOM 13 CA GLU A 434 -0.559 9.098 -1.723 1.00 15.00 C ATOM 14 C GLU A 434 0.292 7.859 -1.442 1.00 15.00 C ATOM 15 O GLU A 434 1.512 7.942 -1.309 1.00 15.00 O ATOM 16 CB GLU A 434 -1.374 9.467 -0.478 1.00 15.00 C ATOM 17 CG GLU A 434 -0.544 9.703 0.772 1.00 15.00 C ATOM 18 CD GLU A 434 0.382 10.893 0.645 1.00 15.00 C ATOM 19 OE1 GLU A 434 -0.111 12.038 0.672 1.00 15.00 O ATOM 20 OE2 GLU A 434 1.606 10.683 0.533 1.00 15.00 O1- ATOM 0 H GLU A 434 -2.447 8.784 -2.583 1.00 15.00 H new ATOM 0 HA GLU A 434 0.116 9.915 -1.980 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -1.951 10.367 -0.691 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -2.090 8.669 -0.278 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -1.210 9.856 1.621 1.00 15.00 H new ATOM 0 HG3 GLU A 434 0.045 8.811 0.985 1.00 15.00 H new ATOM 27 N TRP A 435 -0.368 6.717 -1.361 1.00 15.00 N ATOM 28 CA TRP A 435 0.282 5.471 -0.975 1.00 15.00 C ATOM 29 C TRP A 435 0.786 4.743 -2.218 1.00 15.00 C ATOM 30 O TRP A 435 0.205 4.876 -3.287 1.00 15.00 O ATOM 31 CB TRP A 435 -0.723 4.608 -0.190 1.00 15.00 C ATOM 32 CG TRP A 435 -1.326 5.345 0.978 1.00 15.00 C ATOM 33 CD1 TRP A 435 -2.330 6.271 0.931 1.00 15.00 C ATOM 34 CD2 TRP A 435 -0.954 5.232 2.359 1.00 15.00 C ATOM 35 NE1 TRP A 435 -2.581 6.762 2.189 1.00 15.00 N ATOM 36 CE2 TRP A 435 -1.755 6.138 3.085 1.00 15.00 C ATOM 37 CE3 TRP A 435 -0.018 4.461 3.050 1.00 15.00 C ATOM 38 CZ2 TRP A 435 -1.641 6.291 4.466 1.00 15.00 C ATOM 39 CZ3 TRP A 435 0.094 4.615 4.417 1.00 15.00 C ATOM 40 CH2 TRP A 435 -0.711 5.523 5.113 1.00 15.00 C ATOM 0 H TRP A 435 -1.364 6.624 -1.559 1.00 15.00 H new ATOM 0 HA TRP A 435 1.142 5.675 -0.337 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -1.519 4.282 -0.860 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.222 3.710 0.171 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -2.851 6.573 0.034 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -3.272 7.477 2.419 1.00 15.00 H new ATOM 0 HE3 TRP A 435 0.608 3.756 2.524 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.263 6.990 5.005 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.817 4.023 4.959 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.596 5.620 6.183 1.00 15.00 H new ATOM 51 N THR A 436 1.862 3.977 -2.091 1.00 15.00 N ATOM 52 CA THR A 436 2.361 3.218 -3.224 1.00 15.00 C ATOM 53 C THR A 436 1.709 1.854 -3.260 1.00 15.00 C ATOM 54 O THR A 436 2.052 0.969 -2.469 1.00 15.00 O ATOM 55 CB THR A 436 3.894 3.029 -3.195 1.00 15.00 C ATOM 56 OG1 THR A 436 4.556 4.290 -3.374 1.00 15.00 O ATOM 57 CG2 THR A 436 4.347 2.045 -4.279 1.00 15.00 C ATOM 0 H THR A 436 2.396 3.867 -1.229 1.00 15.00 H new ATOM 0 HA THR A 436 2.111 3.794 -4.115 1.00 15.00 H new ATOM 0 HB THR A 436 4.163 2.619 -2.222 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.527 4.156 -3.352 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.430 1.930 -4.237 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.873 1.078 -4.113 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.061 2.426 -5.259 1.00 15.00 H new ATOM 65 N GLU A 437 0.758 1.699 -4.165 1.00 15.00 N ATOM 66 CA GLU A 437 0.149 0.414 -4.395 1.00 15.00 C ATOM 67 C GLU A 437 0.941 -0.316 -5.463 1.00 15.00 C ATOM 68 O GLU A 437 0.699 -0.177 -6.666 1.00 15.00 O ATOM 69 CB GLU A 437 -1.337 0.538 -4.783 1.00 15.00 C ATOM 70 CG GLU A 437 -1.635 1.421 -5.997 1.00 15.00 C ATOM 71 CD GLU A 437 -1.481 2.907 -5.726 1.00 15.00 C ATOM 72 OE1 GLU A 437 -0.358 3.429 -5.887 1.00 15.00 O ATOM 73 OE2 GLU A 437 -2.484 3.558 -5.364 1.00 15.00 O1- ATOM 0 H GLU A 437 0.395 2.452 -4.750 1.00 15.00 H new ATOM 0 HA GLU A 437 0.172 -0.158 -3.468 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.727 -0.461 -4.979 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.885 0.932 -3.927 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.969 1.139 -6.812 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.653 1.226 -6.335 1.00 15.00 H new ATOM 80 N ARG A 438 1.930 -1.060 -5.019 1.00 15.00 N ATOM 81 CA ARG A 438 2.821 -1.733 -5.934 1.00 15.00 C ATOM 82 C ARG A 438 2.359 -3.155 -6.145 1.00 15.00 C ATOM 83 O ARG A 438 2.371 -3.974 -5.223 1.00 15.00 O ATOM 84 CB ARG A 438 4.260 -1.690 -5.421 1.00 15.00 C ATOM 85 CG ARG A 438 5.289 -2.234 -6.403 1.00 15.00 C ATOM 86 CD ARG A 438 6.698 -1.977 -5.901 1.00 15.00 C ATOM 87 NE ARG A 438 7.720 -2.563 -6.764 1.00 15.00 N ATOM 88 CZ ARG A 438 9.006 -2.637 -6.428 1.00 15.00 C ATOM 89 NH1 ARG A 438 9.414 -2.171 -5.252 1.00 15.00 N1+ ATOM 90 NH2 ARG A 438 9.881 -3.181 -7.261 1.00 15.00 N ATOM 0 H ARG A 438 2.136 -1.213 -4.032 1.00 15.00 H new ATOM 0 HA ARG A 438 2.800 -1.216 -6.893 1.00 15.00 H new ATOM 0 HB2 ARG A 438 4.516 -0.659 -5.177 1.00 15.00 H new ATOM 0 HB3 ARG A 438 4.321 -2.261 -4.495 1.00 15.00 H new ATOM 0 HG2 ARG A 438 5.137 -3.304 -6.541 1.00 15.00 H new ATOM 0 HG3 ARG A 438 5.153 -1.764 -7.377 1.00 15.00 H new ATOM 0 HD2 ARG A 438 6.863 -0.902 -5.828 1.00 15.00 H new ATOM 0 HD3 ARG A 438 6.801 -2.384 -4.895 1.00 15.00 H new ATOM 0 HE ARG A 438 7.434 -2.934 -7.670 1.00 15.00 H new ATOM 0 HH11 ARG A 438 8.742 -1.757 -4.607 1.00 15.00 H new ATOM 0 HH12 ARG A 438 10.399 -2.228 -4.995 1.00 15.00 H new ATOM 0 HH21 ARG A 438 9.570 -3.544 -8.162 1.00 15.00 H new ATOM 0 HH22 ARG A 438 10.866 -3.237 -7.001 1.00 15.00 H new ATOM 104 N LYS A 439 1.918 -3.425 -7.353 1.00 15.00 N ATOM 105 CA LYS A 439 1.422 -4.733 -7.704 1.00 15.00 C ATOM 106 C LYS A 439 2.559 -5.588 -8.236 1.00 15.00 C ATOM 107 O LYS A 439 3.067 -5.368 -9.333 1.00 15.00 O ATOM 108 CB LYS A 439 0.264 -4.643 -8.720 1.00 15.00 C ATOM 109 CG LYS A 439 0.568 -3.853 -9.995 1.00 15.00 C ATOM 110 CD LYS A 439 0.568 -2.346 -9.758 1.00 15.00 C ATOM 111 CE LYS A 439 -0.808 -1.832 -9.355 1.00 15.00 C ATOM 112 NZ LYS A 439 -0.771 -0.396 -8.969 1.00 15.00 N1+ ATOM 0 H LYS A 439 1.894 -2.747 -8.115 1.00 15.00 H new ATOM 0 HA LYS A 439 1.021 -5.205 -6.807 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -0.029 -5.654 -9.001 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -0.595 -4.187 -8.227 1.00 15.00 H new ATOM 0 HG2 LYS A 439 1.539 -4.157 -10.385 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -0.172 -4.098 -10.757 1.00 15.00 H new ATOM 0 HD2 LYS A 439 1.289 -2.102 -8.978 1.00 15.00 H new ATOM 0 HD3 LYS A 439 0.894 -1.836 -10.665 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -1.503 -1.968 -10.183 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -1.187 -2.423 -8.521 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -1.668 -0.136 -8.512 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 0.014 -0.235 -8.307 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -0.633 0.188 -9.818 1.00 15.00 H new ATOM 126 N THR A 440 2.981 -6.540 -7.429 1.00 15.00 N ATOM 127 CA THR A 440 4.037 -7.452 -7.831 1.00 15.00 C ATOM 128 C THR A 440 3.446 -8.674 -8.532 1.00 15.00 C ATOM 129 O THR A 440 2.341 -9.118 -8.204 1.00 15.00 O ATOM 130 CB THR A 440 4.879 -7.908 -6.620 1.00 15.00 C ATOM 131 OG1 THR A 440 4.052 -8.591 -5.667 1.00 15.00 O ATOM 132 CG2 THR A 440 5.553 -6.718 -5.945 1.00 15.00 C ATOM 0 H THR A 440 2.611 -6.704 -6.493 1.00 15.00 H new ATOM 0 HA THR A 440 4.689 -6.917 -8.521 1.00 15.00 H new ATOM 0 HB THR A 440 5.649 -8.587 -6.985 1.00 15.00 H new ATOM 0 HG1 THR A 440 3.370 -7.976 -5.325 1.00 15.00 H new ATOM 0 HG21 THR A 440 6.140 -7.066 -5.095 1.00 15.00 H new ATOM 0 HG22 THR A 440 6.208 -6.218 -6.658 1.00 15.00 H new ATOM 0 HG23 THR A 440 4.793 -6.018 -5.599 1.00 15.00 H new ATOM 140 N ALA A 441 4.198 -9.211 -9.492 1.00 15.00 N ATOM 141 CA ALA A 441 3.728 -10.295 -10.354 1.00 15.00 C ATOM 142 C ALA A 441 3.420 -11.565 -9.566 1.00 15.00 C ATOM 143 O ALA A 441 2.773 -12.479 -10.076 1.00 15.00 O ATOM 144 CB ALA A 441 4.757 -10.589 -11.434 1.00 15.00 C ATOM 0 H ALA A 441 5.150 -8.907 -9.694 1.00 15.00 H new ATOM 0 HA ALA A 441 2.798 -9.963 -10.816 1.00 15.00 H new ATOM 0 HB1 ALA A 441 4.396 -11.398 -12.070 1.00 15.00 H new ATOM 0 HB2 ALA A 441 4.916 -9.696 -12.038 1.00 15.00 H new ATOM 0 HB3 ALA A 441 5.698 -10.885 -10.969 1.00 15.00 H new ATOM 150 N ASP A 442 3.883 -11.621 -8.323 1.00 15.00 N ATOM 151 CA ASP A 442 3.606 -12.759 -7.452 1.00 15.00 C ATOM 152 C ASP A 442 2.146 -12.748 -6.996 1.00 15.00 C ATOM 153 O ASP A 442 1.674 -13.678 -6.337 1.00 15.00 O ATOM 154 CB ASP A 442 4.537 -12.728 -6.239 1.00 15.00 C ATOM 155 CG ASP A 442 4.538 -14.032 -5.472 1.00 15.00 C ATOM 156 OD1 ASP A 442 5.091 -15.026 -5.991 1.00 15.00 O ATOM 157 OD2 ASP A 442 4.003 -14.072 -4.346 1.00 15.00 O1- ATOM 0 H ASP A 442 4.453 -10.891 -7.894 1.00 15.00 H new ATOM 0 HA ASP A 442 3.783 -13.676 -8.014 1.00 15.00 H new ATOM 0 HB2 ASP A 442 5.551 -12.505 -6.570 1.00 15.00 H new ATOM 0 HB3 ASP A 442 4.234 -11.920 -5.574 1.00 15.00 H new ATOM 162 N GLY A 443 1.434 -11.688 -7.362 1.00 15.00 N ATOM 163 CA GLY A 443 0.045 -11.543 -6.980 1.00 15.00 C ATOM 164 C GLY A 443 -0.097 -10.817 -5.663 1.00 15.00 C ATOM 165 O GLY A 443 -1.117 -10.930 -4.981 1.00 15.00 O ATOM 0 H GLY A 443 1.801 -10.919 -7.923 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -0.491 -10.997 -7.756 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -0.417 -12.527 -6.905 1.00 15.00 H new ATOM 169 N LYS A 444 0.930 -10.059 -5.310 1.00 15.00 N ATOM 170 CA LYS A 444 0.949 -9.367 -4.033 1.00 15.00 C ATOM 171 C LYS A 444 0.894 -7.857 -4.240 1.00 15.00 C ATOM 172 O LYS A 444 1.835 -7.256 -4.771 1.00 15.00 O ATOM 173 CB LYS A 444 2.205 -9.731 -3.231 1.00 15.00 C ATOM 174 CG LYS A 444 2.403 -11.224 -3.000 1.00 15.00 C ATOM 175 CD LYS A 444 1.298 -11.815 -2.140 1.00 15.00 C ATOM 176 CE LYS A 444 1.652 -13.215 -1.653 1.00 15.00 C ATOM 177 NZ LYS A 444 1.868 -14.173 -2.770 1.00 15.00 N1+ ATOM 0 H LYS A 444 1.757 -9.909 -5.888 1.00 15.00 H new ATOM 0 HA LYS A 444 0.070 -9.683 -3.471 1.00 15.00 H new ATOM 0 HB2 LYS A 444 3.078 -9.339 -3.752 1.00 15.00 H new ATOM 0 HB3 LYS A 444 2.160 -9.230 -2.264 1.00 15.00 H new ATOM 0 HG2 LYS A 444 2.431 -11.739 -3.960 1.00 15.00 H new ATOM 0 HG3 LYS A 444 3.367 -11.393 -2.519 1.00 15.00 H new ATOM 0 HD2 LYS A 444 1.117 -11.166 -1.283 1.00 15.00 H new ATOM 0 HD3 LYS A 444 0.371 -11.852 -2.713 1.00 15.00 H new ATOM 0 HE2 LYS A 444 2.554 -13.166 -1.042 1.00 15.00 H new ATOM 0 HE3 LYS A 444 0.852 -13.585 -1.012 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 1.938 -15.139 -2.390 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 1.069 -14.118 -3.434 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 2.749 -13.933 -3.268 1.00 15.00 H new ATOM 191 N THR A 445 -0.221 -7.257 -3.855 1.00 15.00 N ATOM 192 CA THR A 445 -0.358 -5.812 -3.863 1.00 15.00 C ATOM 193 C THR A 445 -0.049 -5.249 -2.485 1.00 15.00 C ATOM 194 O THR A 445 -0.759 -5.538 -1.523 1.00 15.00 O ATOM 195 CB THR A 445 -1.783 -5.391 -4.259 1.00 15.00 C ATOM 196 OG1 THR A 445 -2.729 -6.322 -3.719 1.00 15.00 O ATOM 197 CG2 THR A 445 -1.937 -5.310 -5.768 1.00 15.00 C ATOM 0 H THR A 445 -1.050 -7.755 -3.531 1.00 15.00 H new ATOM 0 HA THR A 445 0.346 -5.418 -4.596 1.00 15.00 H new ATOM 0 HB THR A 445 -1.971 -4.399 -3.849 1.00 15.00 H new ATOM 0 HG1 THR A 445 -2.531 -6.477 -2.772 1.00 15.00 H new ATOM 0 HG21 THR A 445 -2.956 -5.010 -6.014 1.00 15.00 H new ATOM 0 HG22 THR A 445 -1.236 -4.576 -6.166 1.00 15.00 H new ATOM 0 HG23 THR A 445 -1.730 -6.286 -6.208 1.00 15.00 H new ATOM 205 N TYR A 446 1.008 -4.464 -2.379 1.00 15.00 N ATOM 206 CA TYR A 446 1.352 -3.876 -1.101 1.00 15.00 C ATOM 207 C TYR A 446 1.385 -2.370 -1.199 1.00 15.00 C ATOM 208 O TYR A 446 1.849 -1.811 -2.193 1.00 15.00 O ATOM 209 CB TYR A 446 2.691 -4.411 -0.594 1.00 15.00 C ATOM 210 CG TYR A 446 3.936 -3.840 -1.247 1.00 15.00 C ATOM 211 CD1 TYR A 446 4.451 -4.375 -2.425 1.00 15.00 C ATOM 212 CD2 TYR A 446 4.617 -2.787 -0.654 1.00 15.00 C ATOM 213 CE1 TYR A 446 5.610 -3.868 -2.987 1.00 15.00 C ATOM 214 CE2 TYR A 446 5.768 -2.274 -1.215 1.00 15.00 C ATOM 215 CZ TYR A 446 6.262 -2.817 -2.376 1.00 15.00 C ATOM 216 OH TYR A 446 7.417 -2.308 -2.923 1.00 15.00 O ATOM 0 H TYR A 446 1.632 -4.223 -3.149 1.00 15.00 H new ATOM 0 HA TYR A 446 0.582 -4.158 -0.383 1.00 15.00 H new ATOM 0 HB2 TYR A 446 2.750 -4.223 0.478 1.00 15.00 H new ATOM 0 HB3 TYR A 446 2.700 -5.493 -0.729 1.00 15.00 H new ATOM 0 HD1 TYR A 446 3.940 -5.196 -2.906 1.00 15.00 H new ATOM 0 HD2 TYR A 446 4.239 -2.361 0.264 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.002 -4.293 -3.899 1.00 15.00 H new ATOM 0 HE2 TYR A 446 6.279 -1.448 -0.743 1.00 15.00 H new ATOM 0 HH TYR A 446 7.745 -1.571 -2.367 1.00 15.00 H new ATOM 226 N TYR A 447 0.886 -1.719 -0.164 1.00 15.00 N ATOM 227 CA TYR A 447 0.905 -0.276 -0.108 1.00 15.00 C ATOM 228 C TYR A 447 1.976 0.206 0.869 1.00 15.00 C ATOM 229 O TYR A 447 1.727 0.331 2.064 1.00 15.00 O ATOM 230 CB TYR A 447 -0.467 0.270 0.309 1.00 15.00 C ATOM 231 CG TYR A 447 -1.592 0.006 -0.681 1.00 15.00 C ATOM 232 CD1 TYR A 447 -1.962 -1.290 -1.036 1.00 15.00 C ATOM 233 CD2 TYR A 447 -2.288 1.062 -1.254 1.00 15.00 C ATOM 234 CE1 TYR A 447 -2.991 -1.520 -1.934 1.00 15.00 C ATOM 235 CE2 TYR A 447 -3.318 0.838 -2.150 1.00 15.00 C ATOM 236 CZ TYR A 447 -3.664 -0.452 -2.487 1.00 15.00 C ATOM 237 OH TYR A 447 -4.687 -0.671 -3.381 1.00 15.00 O ATOM 0 H TYR A 447 0.463 -2.170 0.647 1.00 15.00 H new ATOM 0 HA TYR A 447 1.141 0.098 -1.104 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.739 -0.167 1.270 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.382 1.346 0.461 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -1.437 -2.129 -0.603 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -2.021 2.076 -0.996 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -3.264 -2.531 -2.199 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.849 1.672 -2.584 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.055 0.189 -3.674 1.00 15.00 H new ATOM 247 N TYR A 448 3.185 0.409 0.363 1.00 15.00 N ATOM 248 CA TYR A 448 4.241 1.054 1.142 1.00 15.00 C ATOM 249 C TYR A 448 4.208 2.563 0.947 1.00 15.00 C ATOM 250 O TYR A 448 4.122 3.056 -0.178 1.00 15.00 O ATOM 251 CB TYR A 448 5.618 0.496 0.759 1.00 15.00 C ATOM 252 CG TYR A 448 6.789 1.334 1.247 1.00 15.00 C ATOM 253 CD1 TYR A 448 6.938 1.663 2.593 1.00 15.00 C ATOM 254 CD2 TYR A 448 7.744 1.795 0.351 1.00 15.00 C ATOM 255 CE1 TYR A 448 8.007 2.432 3.025 1.00 15.00 C ATOM 256 CE2 TYR A 448 8.813 2.560 0.776 1.00 15.00 C ATOM 257 CZ TYR A 448 8.940 2.875 2.110 1.00 15.00 C ATOM 258 OH TYR A 448 10.006 3.634 2.530 1.00 15.00 O ATOM 0 H TYR A 448 3.461 0.138 -0.581 1.00 15.00 H new ATOM 0 HA TYR A 448 4.063 0.838 2.195 1.00 15.00 H new ATOM 0 HB2 TYR A 448 5.714 -0.512 1.163 1.00 15.00 H new ATOM 0 HB3 TYR A 448 5.674 0.411 -0.326 1.00 15.00 H new ATOM 0 HD1 TYR A 448 6.210 1.314 3.310 1.00 15.00 H new ATOM 0 HD2 TYR A 448 7.650 1.551 -0.697 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.109 2.683 4.071 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.546 2.910 0.064 1.00 15.00 H new ATOM 0 HH TYR A 448 10.568 3.862 1.761 1.00 15.00 H new ATOM 268 N ASN A 449 4.268 3.290 2.052 1.00 15.00 N ATOM 269 CA ASN A 449 4.297 4.742 2.013 1.00 15.00 C ATOM 270 C ASN A 449 5.247 5.275 3.082 1.00 15.00 C ATOM 271 O ASN A 449 5.359 4.702 4.176 1.00 15.00 O ATOM 272 CB ASN A 449 2.889 5.301 2.233 1.00 15.00 C ATOM 273 CG ASN A 449 2.741 6.757 1.820 1.00 15.00 C ATOM 274 OD1 ASN A 449 3.694 7.529 1.833 1.00 15.00 O ATOM 275 ND2 ASN A 449 1.531 7.154 1.477 1.00 15.00 N ATOM 0 H ASN A 449 4.298 2.894 2.992 1.00 15.00 H new ATOM 0 HA ASN A 449 4.654 5.062 1.034 1.00 15.00 H new ATOM 0 HB2 ASN A 449 2.176 4.698 1.671 1.00 15.00 H new ATOM 0 HB3 ASN A 449 2.629 5.203 3.287 1.00 15.00 H new ATOM 0 HD21 ASN A 449 1.369 8.126 1.213 1.00 15.00 H new ATOM 0 HD22 ASN A 449 0.757 6.489 1.475 1.00 15.00 H new ATOM 282 N ASN A 450 5.859 6.412 2.778 1.00 15.00 N ATOM 283 CA ASN A 450 6.858 7.038 3.634 1.00 15.00 C ATOM 284 C ASN A 450 6.165 7.933 4.639 1.00 15.00 C ATOM 285 O ASN A 450 6.805 8.614 5.432 1.00 15.00 O ATOM 286 CB ASN A 450 7.848 7.861 2.800 1.00 15.00 C ATOM 287 CG ASN A 450 8.864 7.004 2.068 1.00 15.00 C ATOM 288 OD1 ASN A 450 8.622 6.533 0.958 1.00 15.00 O ATOM 289 ND2 ASN A 450 10.024 6.822 2.677 1.00 15.00 N ATOM 0 H ASN A 450 5.673 6.932 1.920 1.00 15.00 H new ATOM 0 HA ASN A 450 7.414 6.259 4.156 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.295 8.458 2.075 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.373 8.558 3.453 1.00 15.00 H new ATOM 0 HD21 ASN A 450 10.757 6.274 2.226 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.186 7.229 3.598 1.00 15.00 H new ATOM 296 N ARG A 451 4.842 7.915 4.588 1.00 15.00 N ATOM 297 CA ARG A 451 4.028 8.619 5.578 1.00 15.00 C ATOM 298 C ARG A 451 4.323 8.089 6.973 1.00 15.00 C ATOM 299 O ARG A 451 4.601 8.849 7.898 1.00 15.00 O ATOM 300 CB ARG A 451 2.533 8.466 5.277 1.00 15.00 C ATOM 301 CG ARG A 451 2.058 9.203 4.029 1.00 15.00 C ATOM 302 CD ARG A 451 2.093 10.718 4.192 1.00 15.00 C ATOM 303 NE ARG A 451 3.456 11.250 4.251 1.00 15.00 N ATOM 304 CZ ARG A 451 4.048 11.889 3.243 1.00 15.00 C ATOM 305 NH1 ARG A 451 3.437 11.999 2.072 1.00 15.00 N1+ ATOM 306 NH2 ARG A 451 5.264 12.397 3.396 1.00 15.00 N ATOM 0 H ARG A 451 4.306 7.422 3.874 1.00 15.00 H new ATOM 0 HA ARG A 451 4.284 9.677 5.528 1.00 15.00 H new ATOM 0 HB2 ARG A 451 2.305 7.406 5.166 1.00 15.00 H new ATOM 0 HB3 ARG A 451 1.964 8.826 6.134 1.00 15.00 H new ATOM 0 HG2 ARG A 451 2.684 8.918 3.183 1.00 15.00 H new ATOM 0 HG3 ARG A 451 1.041 8.890 3.792 1.00 15.00 H new ATOM 0 HD2 ARG A 451 1.563 11.181 3.360 1.00 15.00 H new ATOM 0 HD3 ARG A 451 1.560 10.994 5.102 1.00 15.00 H new ATOM 0 HE ARG A 451 3.983 11.124 5.115 1.00 15.00 H new ATOM 0 HH11 ARG A 451 2.510 11.594 1.940 1.00 15.00 H new ATOM 0 HH12 ARG A 451 3.893 12.489 1.303 1.00 15.00 H new ATOM 0 HH21 ARG A 451 5.749 12.299 4.288 1.00 15.00 H new ATOM 0 HH22 ARG A 451 5.714 12.886 2.622 1.00 15.00 H new ATOM 320 N THR A 452 4.225 6.781 7.122 1.00 15.00 N ATOM 321 CA THR A 452 4.553 6.138 8.379 1.00 15.00 C ATOM 322 C THR A 452 5.684 5.116 8.200 1.00 15.00 C ATOM 323 O THR A 452 6.094 4.462 9.163 1.00 15.00 O ATOM 324 CB THR A 452 3.296 5.480 9.002 1.00 15.00 C ATOM 325 OG1 THR A 452 3.652 4.679 10.136 1.00 15.00 O ATOM 326 CG2 THR A 452 2.552 4.637 7.980 1.00 15.00 C ATOM 0 H THR A 452 3.920 6.143 6.387 1.00 15.00 H new ATOM 0 HA THR A 452 4.909 6.904 9.068 1.00 15.00 H new ATOM 0 HB THR A 452 2.634 6.281 9.331 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.614 4.491 10.115 1.00 15.00 H new ATOM 0 HG21 THR A 452 1.675 4.189 8.447 1.00 15.00 H new ATOM 0 HG22 THR A 452 2.238 5.267 7.148 1.00 15.00 H new ATOM 0 HG23 THR A 452 3.209 3.850 7.610 1.00 15.00 H new ATOM 334 N LEU A 453 6.180 4.988 6.959 1.00 15.00 N ATOM 335 CA LEU A 453 7.205 3.988 6.618 1.00 15.00 C ATOM 336 C LEU A 453 6.648 2.585 6.775 1.00 15.00 C ATOM 337 O LEU A 453 7.381 1.631 7.028 1.00 15.00 O ATOM 338 CB LEU A 453 8.462 4.156 7.480 1.00 15.00 C ATOM 339 CG LEU A 453 9.532 5.088 6.911 1.00 15.00 C ATOM 340 CD1 LEU A 453 10.154 4.477 5.669 1.00 15.00 C ATOM 341 CD2 LEU A 453 8.935 6.439 6.575 1.00 15.00 C ATOM 0 H LEU A 453 5.886 5.567 6.172 1.00 15.00 H new ATOM 0 HA LEU A 453 7.488 4.145 5.577 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.162 4.530 8.459 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.907 3.174 7.637 1.00 15.00 H new ATOM 0 HG LEU A 453 10.306 5.224 7.667 1.00 15.00 H new ATOM 0 HD11 LEU A 453 10.914 5.151 5.274 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.613 3.522 5.924 1.00 15.00 H new ATOM 0 HD13 LEU A 453 9.382 4.319 4.916 1.00 15.00 H new ATOM 0 HD21 LEU A 453 9.711 7.089 6.171 1.00 15.00 H new ATOM 0 HD22 LEU A 453 8.145 6.314 5.835 1.00 15.00 H new ATOM 0 HD23 LEU A 453 8.519 6.887 7.477 1.00 15.00 H new ATOM 353 N GLU A 454 5.356 2.464 6.540 1.00 15.00 N ATOM 354 CA GLU A 454 4.645 1.217 6.766 1.00 15.00 C ATOM 355 C GLU A 454 4.084 0.688 5.467 1.00 15.00 C ATOM 356 O GLU A 454 3.697 1.461 4.585 1.00 15.00 O ATOM 357 CB GLU A 454 3.506 1.426 7.767 1.00 15.00 C ATOM 358 CG GLU A 454 3.961 1.509 9.214 1.00 15.00 C ATOM 359 CD GLU A 454 4.286 0.150 9.792 1.00 15.00 C ATOM 360 OE1 GLU A 454 5.363 -0.393 9.481 1.00 15.00 O1- ATOM 361 OE2 GLU A 454 3.454 -0.387 10.552 1.00 15.00 O ATOM 0 H GLU A 454 4.771 3.222 6.189 1.00 15.00 H new ATOM 0 HA GLU A 454 5.350 0.492 7.173 1.00 15.00 H new ATOM 0 HB2 GLU A 454 2.975 2.343 7.511 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.794 0.607 7.667 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.841 2.149 9.280 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.180 1.978 9.812 1.00 15.00 H new ATOM 368 N SER A 455 4.033 -0.623 5.356 1.00 15.00 N ATOM 369 CA SER A 455 3.414 -1.255 4.219 1.00 15.00 C ATOM 370 C SER A 455 2.122 -1.931 4.646 1.00 15.00 C ATOM 371 O SER A 455 2.119 -2.841 5.476 1.00 15.00 O ATOM 372 CB SER A 455 4.382 -2.238 3.553 1.00 15.00 C ATOM 373 OG SER A 455 4.979 -3.105 4.504 1.00 15.00 O ATOM 0 H SER A 455 4.416 -1.271 6.045 1.00 15.00 H new ATOM 0 HA SER A 455 3.167 -0.497 3.476 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.848 -2.827 2.807 1.00 15.00 H new ATOM 0 HB3 SER A 455 5.159 -1.684 3.026 1.00 15.00 H new ATOM 0 HG SER A 455 4.324 -3.332 5.196 1.00 15.00 H new ATOM 379 N THR A 456 1.022 -1.442 4.108 1.00 15.00 N ATOM 380 CA THR A 456 -0.284 -1.990 4.396 1.00 15.00 C ATOM 381 C THR A 456 -0.665 -2.993 3.317 1.00 15.00 C ATOM 382 O THR A 456 -0.884 -2.624 2.161 1.00 15.00 O ATOM 383 CB THR A 456 -1.334 -0.865 4.475 1.00 15.00 C ATOM 384 OG1 THR A 456 -1.293 -0.085 3.278 1.00 15.00 O ATOM 385 CG2 THR A 456 -1.074 0.033 5.675 1.00 15.00 C ATOM 0 H THR A 456 1.011 -0.654 3.460 1.00 15.00 H new ATOM 0 HA THR A 456 -0.252 -2.497 5.361 1.00 15.00 H new ATOM 0 HB THR A 456 -2.319 -1.319 4.587 1.00 15.00 H new ATOM 0 HG1 THR A 456 -1.160 0.859 3.507 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.827 0.820 5.711 1.00 15.00 H new ATOM 0 HG22 THR A 456 -1.123 -0.558 6.589 1.00 15.00 H new ATOM 0 HG23 THR A 456 -0.085 0.482 5.586 1.00 15.00 H new ATOM 393 N TRP A 457 -0.700 -4.263 3.689 1.00 15.00 N ATOM 394 CA TRP A 457 -0.990 -5.330 2.742 1.00 15.00 C ATOM 395 C TRP A 457 -2.480 -5.635 2.768 1.00 15.00 C ATOM 396 O TRP A 457 -2.982 -6.486 2.033 1.00 15.00 O ATOM 397 CB TRP A 457 -0.106 -6.552 3.051 1.00 15.00 C ATOM 398 CG TRP A 457 1.348 -6.185 2.955 1.00 15.00 C ATOM 399 CD1 TRP A 457 2.019 -5.341 3.789 1.00 15.00 C ATOM 400 CD2 TRP A 457 2.301 -6.609 1.969 1.00 15.00 C ATOM 401 NE1 TRP A 457 3.305 -5.170 3.362 1.00 15.00 N ATOM 402 CE2 TRP A 457 3.511 -5.944 2.256 1.00 15.00 C ATOM 403 CE3 TRP A 457 2.255 -7.473 0.870 1.00 15.00 C ATOM 404 CZ2 TRP A 457 4.654 -6.102 1.484 1.00 15.00 C ATOM 405 CZ3 TRP A 457 3.400 -7.640 0.108 1.00 15.00 C ATOM 406 CH2 TRP A 457 4.584 -6.956 0.416 1.00 15.00 C ATOM 0 H TRP A 457 -0.531 -4.581 4.643 1.00 15.00 H new ATOM 0 HA TRP A 457 -0.748 -5.024 1.724 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -0.328 -6.926 4.051 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -0.331 -7.358 2.352 1.00 15.00 H new ATOM 0 HD1 TRP A 457 1.593 -4.873 4.664 1.00 15.00 H new ATOM 0 HE1 TRP A 457 3.999 -4.563 3.798 1.00 15.00 H new ATOM 0 HE3 TRP A 457 1.345 -7.999 0.620 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 5.565 -5.571 1.717 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 3.380 -8.310 -0.739 1.00 15.00 H new ATOM 0 HH2 TRP A 457 5.458 -7.105 -0.201 1.00 15.00 H new ATOM 417 N GLU A 458 -3.171 -4.906 3.633 1.00 15.00 N ATOM 418 CA GLU A 458 -4.618 -4.799 3.598 1.00 15.00 C ATOM 419 C GLU A 458 -4.976 -3.375 3.189 1.00 15.00 C ATOM 420 O GLU A 458 -4.298 -2.430 3.590 1.00 15.00 O ATOM 421 CB GLU A 458 -5.222 -5.125 4.964 1.00 15.00 C ATOM 422 CG GLU A 458 -5.115 -6.591 5.346 1.00 15.00 C ATOM 423 CD GLU A 458 -5.779 -7.509 4.338 1.00 15.00 C ATOM 424 OE1 GLU A 458 -6.950 -7.257 3.977 1.00 15.00 O ATOM 425 OE2 GLU A 458 -5.138 -8.496 3.914 1.00 15.00 O1- ATOM 0 H GLU A 458 -2.737 -4.369 4.384 1.00 15.00 H new ATOM 0 HA GLU A 458 -5.023 -5.513 2.881 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -4.724 -4.524 5.724 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.273 -4.834 4.965 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -4.063 -6.862 5.440 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.572 -6.742 6.324 1.00 15.00 H new ATOM 432 N LYS A 459 -6.033 -3.227 2.403 1.00 15.00 N ATOM 433 CA LYS A 459 -6.412 -1.928 1.854 1.00 15.00 C ATOM 434 C LYS A 459 -6.737 -0.921 2.964 1.00 15.00 C ATOM 435 O LYS A 459 -7.699 -1.105 3.711 1.00 15.00 O ATOM 436 CB LYS A 459 -7.607 -2.094 0.916 1.00 15.00 C ATOM 437 CG LYS A 459 -7.308 -2.981 -0.281 1.00 15.00 C ATOM 438 CD LYS A 459 -8.500 -3.112 -1.225 1.00 15.00 C ATOM 439 CE LYS A 459 -8.825 -1.805 -1.936 1.00 15.00 C ATOM 440 NZ LYS A 459 -9.517 -0.837 -1.047 1.00 15.00 N1+ ATOM 0 H LYS A 459 -6.648 -3.993 2.129 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.565 -1.534 1.293 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.443 -2.517 1.474 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.923 -1.112 0.563 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -6.459 -2.572 -0.828 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.015 -3.971 0.069 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -8.290 -3.883 -1.966 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.372 -3.442 -0.661 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -7.904 -1.358 -2.309 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.453 -2.012 -2.803 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.368 -0.475 -1.523 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.791 -1.312 -0.163 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -8.878 -0.046 -0.831 1.00 15.00 H new ATOM 454 N PRO A 460 -5.928 0.155 3.093 1.00 15.00 N ATOM 455 CA PRO A 460 -6.123 1.172 4.134 1.00 15.00 C ATOM 456 C PRO A 460 -7.439 1.928 3.989 1.00 15.00 C ATOM 457 O PRO A 460 -7.802 2.373 2.900 1.00 15.00 O ATOM 458 CB PRO A 460 -4.953 2.145 3.937 1.00 15.00 C ATOM 459 CG PRO A 460 -3.971 1.428 3.082 1.00 15.00 C ATOM 460 CD PRO A 460 -4.756 0.457 2.250 1.00 15.00 C ATOM 0 HA PRO A 460 -6.157 0.709 5.120 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -5.287 3.067 3.461 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -4.510 2.423 4.893 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -3.425 2.127 2.449 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -3.233 0.907 3.692 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -5.049 0.892 1.295 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -4.179 -0.440 2.028 1.00 15.00 H new ATOM 468 N GLN A 461 -8.126 2.106 5.107 1.00 15.00 N ATOM 469 CA GLN A 461 -9.374 2.863 5.140 1.00 15.00 C ATOM 470 C GLN A 461 -9.110 4.355 4.935 1.00 15.00 C ATOM 471 O GLN A 461 -10.035 5.137 4.712 1.00 15.00 O ATOM 472 CB GLN A 461 -10.125 2.633 6.462 1.00 15.00 C ATOM 473 CG GLN A 461 -9.282 2.869 7.711 1.00 15.00 C ATOM 474 CD GLN A 461 -8.316 1.732 7.993 1.00 15.00 C ATOM 475 OE1 GLN A 461 -8.609 0.569 7.714 1.00 15.00 O ATOM 476 NE2 GLN A 461 -7.141 2.060 8.496 1.00 15.00 N ATOM 0 H GLN A 461 -7.839 1.734 6.012 1.00 15.00 H new ATOM 0 HA GLN A 461 -10.001 2.505 4.323 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -10.992 3.292 6.493 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -10.501 1.610 6.480 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -8.721 3.796 7.595 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.941 3.001 8.569 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -6.934 3.035 8.715 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -6.440 1.339 8.666 1.00 15.00 H new ATOM 485 N GLU A 462 -7.839 4.738 5.023 1.00 15.00 N ATOM 486 CA GLU A 462 -7.424 6.111 4.765 1.00 15.00 C ATOM 487 C GLU A 462 -7.390 6.407 3.271 1.00 15.00 C ATOM 488 O GLU A 462 -7.351 7.566 2.861 1.00 15.00 O ATOM 489 CB GLU A 462 -6.035 6.374 5.362 1.00 15.00 C ATOM 490 CG GLU A 462 -6.035 6.718 6.846 1.00 15.00 C ATOM 491 CD GLU A 462 -6.740 5.690 7.707 1.00 15.00 C ATOM 492 OE1 GLU A 462 -6.199 4.582 7.886 1.00 15.00 O1- ATOM 493 OE2 GLU A 462 -7.846 5.993 8.209 1.00 15.00 O ATOM 0 H GLU A 462 -7.075 4.110 5.273 1.00 15.00 H new ATOM 0 HA GLU A 462 -8.155 6.767 5.237 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -5.415 5.491 5.208 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -5.567 7.192 4.813 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.005 6.820 7.187 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -6.514 7.687 6.986 1.00 15.00 H new ATOM 500 N LEU A 463 -7.371 5.354 2.462 1.00 15.00 N ATOM 501 CA LEU A 463 -7.260 5.514 1.017 1.00 15.00 C ATOM 502 C LEU A 463 -8.464 4.916 0.279 1.00 15.00 C ATOM 503 O LEU A 463 -8.853 5.419 -0.777 1.00 15.00 O ATOM 504 CB LEU A 463 -5.968 4.865 0.511 1.00 15.00 C ATOM 505 CG LEU A 463 -5.646 5.113 -0.961 1.00 15.00 C ATOM 506 CD1 LEU A 463 -5.373 6.589 -1.207 1.00 15.00 C ATOM 507 CD2 LEU A 463 -4.460 4.269 -1.393 1.00 15.00 C ATOM 0 H LEU A 463 -7.431 4.386 2.779 1.00 15.00 H new ATOM 0 HA LEU A 463 -7.239 6.584 0.809 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.137 5.230 1.114 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -6.033 3.789 0.676 1.00 15.00 H new ATOM 0 HG LEU A 463 -6.510 4.822 -1.558 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -5.145 6.746 -2.261 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -6.253 7.172 -0.935 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.525 6.908 -0.601 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -4.243 4.457 -2.445 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.590 4.529 -0.791 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.695 3.214 -1.254 1.00 15.00 H new ATOM 519 N LYS A 464 -9.026 3.837 0.828 1.00 15.00 N ATOM 520 CA LYS A 464 -10.150 3.127 0.210 1.00 15.00 C ATOM 521 C LYS A 464 -9.741 2.518 -1.129 1.00 15.00 C ATOM 522 O LYS A 464 -8.865 1.631 -1.131 1.00 15.00 O ATOM 523 CB LYS A 464 -11.363 4.047 0.020 1.00 15.00 C ATOM 524 CG LYS A 464 -12.021 4.477 1.320 1.00 15.00 C ATOM 525 CD LYS A 464 -13.265 5.325 1.080 1.00 15.00 C ATOM 526 CE LYS A 464 -14.399 4.529 0.434 1.00 15.00 C ATOM 527 NZ LYS A 464 -14.203 4.321 -1.028 1.00 15.00 N1+ ATOM 528 OXT LYS A 464 -10.324 2.894 -2.167 1.00 15.00 O ATOM 0 H LYS A 464 -8.716 3.431 1.711 1.00 15.00 H new ATOM 0 HA LYS A 464 -10.436 2.324 0.889 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -11.050 4.936 -0.528 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -12.101 3.535 -0.597 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -12.291 3.594 1.899 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -11.307 5.043 1.917 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -13.609 5.737 2.029 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -13.008 6.169 0.441 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -14.481 3.560 0.926 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -15.342 5.051 0.598 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -15.080 4.560 -1.533 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -13.431 4.931 -1.365 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -13.961 3.326 -1.208 1.00 15.00 H new TER 542 LYS A 464