USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 270 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 449 ASN : amide:sc= -2.43! C(o=-1.5!,f=-5.2!) USER MOD Set 1.2: A 452 THR OG1 : rot 171:sc= 0.966 USER MOD Single : A 433 SER OG : rot -106:sc= 0.337 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 167:sc= -0.0243 (180deg=-0.187) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.16) USER MOD Single : A 445 THR OG1 : rot 46:sc= 0.0535 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0.0137 K(o=0.014,f=-4.2!) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 459 LYS NZ :NH3+ -145:sc= -2.25! (180deg=-4.61!) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ -170:sc=-0.00803 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 431 -9.657 7.843 -5.335 1.00 15.00 N ATOM 2 CA ALA A 431 -8.705 6.750 -5.290 1.00 15.00 C ATOM 3 C ALA A 431 -9.366 5.467 -5.775 1.00 15.00 C ATOM 4 O ALA A 431 -10.182 4.870 -5.070 1.00 15.00 O ATOM 5 CB ALA A 431 -8.156 6.577 -3.882 1.00 15.00 C ATOM 0 HA ALA A 431 -7.869 6.982 -5.950 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -7.443 5.752 -3.868 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -7.656 7.494 -3.571 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -8.975 6.360 -3.196 1.00 15.00 H new ATOM 11 N VAL A 432 -9.041 5.066 -6.994 1.00 15.00 N ATOM 12 CA VAL A 432 -9.621 3.869 -7.581 1.00 15.00 C ATOM 13 C VAL A 432 -8.944 2.622 -7.027 1.00 15.00 C ATOM 14 O VAL A 432 -9.610 1.693 -6.562 1.00 15.00 O ATOM 15 CB VAL A 432 -9.505 3.875 -9.122 1.00 15.00 C ATOM 16 CG1 VAL A 432 -10.200 2.663 -9.722 1.00 15.00 C ATOM 17 CG2 VAL A 432 -10.081 5.160 -9.697 1.00 15.00 C ATOM 0 H VAL A 432 -8.378 5.553 -7.597 1.00 15.00 H new ATOM 0 HA VAL A 432 -10.678 3.859 -7.317 1.00 15.00 H new ATOM 0 HB VAL A 432 -8.448 3.824 -9.383 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -10.105 2.689 -10.808 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -9.739 1.753 -9.339 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -11.255 2.677 -9.450 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -9.990 5.145 -10.783 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -11.132 5.242 -9.422 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -9.534 6.014 -9.299 1.00 15.00 H new ATOM 27 N SER A 433 -7.618 2.614 -7.066 1.00 15.00 N ATOM 28 CA SER A 433 -6.846 1.488 -6.561 1.00 15.00 C ATOM 29 C SER A 433 -6.746 1.544 -5.041 1.00 15.00 C ATOM 30 O SER A 433 -6.274 2.534 -4.483 1.00 15.00 O ATOM 31 CB SER A 433 -5.447 1.497 -7.176 1.00 15.00 C ATOM 32 OG SER A 433 -5.508 1.579 -8.593 1.00 15.00 O ATOM 0 H SER A 433 -7.055 3.376 -7.443 1.00 15.00 H new ATOM 0 HA SER A 433 -7.355 0.566 -6.841 1.00 15.00 H new ATOM 0 HB2 SER A 433 -4.880 2.342 -6.785 1.00 15.00 H new ATOM 0 HB3 SER A 433 -4.913 0.593 -6.884 1.00 15.00 H new ATOM 0 HG SER A 433 -5.283 0.708 -8.981 1.00 15.00 H new ATOM 38 N GLU A 434 -7.201 0.490 -4.375 1.00 15.00 N ATOM 39 CA GLU A 434 -7.104 0.404 -2.924 1.00 15.00 C ATOM 40 C GLU A 434 -5.830 -0.335 -2.521 1.00 15.00 C ATOM 41 O GLU A 434 -5.574 -1.457 -2.965 1.00 15.00 O ATOM 42 CB GLU A 434 -8.334 -0.302 -2.342 1.00 15.00 C ATOM 43 CG GLU A 434 -8.307 -0.427 -0.825 1.00 15.00 C ATOM 44 CD GLU A 434 -8.195 0.915 -0.127 1.00 15.00 C ATOM 45 OE1 GLU A 434 -7.063 1.411 0.042 1.00 15.00 O1- ATOM 46 OE2 GLU A 434 -9.234 1.474 0.267 1.00 15.00 O ATOM 0 H GLU A 434 -7.641 -0.317 -4.817 1.00 15.00 H new ATOM 0 HA GLU A 434 -7.064 1.416 -2.521 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.229 0.245 -2.637 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.411 -1.298 -2.778 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -9.214 -0.931 -0.490 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.466 -1.055 -0.532 1.00 15.00 H new ATOM 53 N TRP A 435 -5.039 0.296 -1.669 1.00 15.00 N ATOM 54 CA TRP A 435 -3.781 -0.275 -1.215 1.00 15.00 C ATOM 55 C TRP A 435 -3.904 -0.619 0.261 1.00 15.00 C ATOM 56 O TRP A 435 -4.107 0.264 1.093 1.00 15.00 O ATOM 57 CB TRP A 435 -2.632 0.717 -1.431 1.00 15.00 C ATOM 58 CG TRP A 435 -2.543 1.247 -2.833 1.00 15.00 C ATOM 59 CD1 TRP A 435 -3.414 2.103 -3.441 1.00 15.00 C ATOM 60 CD2 TRP A 435 -1.519 0.970 -3.794 1.00 15.00 C ATOM 61 NE1 TRP A 435 -3.008 2.358 -4.727 1.00 15.00 N ATOM 62 CE2 TRP A 435 -1.845 1.677 -4.968 1.00 15.00 C ATOM 63 CE3 TRP A 435 -0.362 0.191 -3.778 1.00 15.00 C ATOM 64 CZ2 TRP A 435 -1.054 1.625 -6.112 1.00 15.00 C ATOM 65 CZ3 TRP A 435 0.422 0.143 -4.915 1.00 15.00 C ATOM 66 CH2 TRP A 435 0.072 0.854 -6.068 1.00 15.00 C ATOM 0 H TRP A 435 -5.249 1.213 -1.274 1.00 15.00 H new ATOM 0 HA TRP A 435 -3.563 -1.176 -1.788 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -2.753 1.554 -0.743 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -1.691 0.229 -1.177 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -4.296 2.520 -2.977 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -3.494 2.957 -5.394 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -0.084 -0.364 -2.894 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -1.321 2.175 -7.002 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.322 -0.455 -4.914 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.705 0.792 -6.941 1.00 15.00 H new ATOM 77 N THR A 436 -3.779 -1.893 0.589 1.00 15.00 N ATOM 78 CA THR A 436 -4.025 -2.344 1.947 1.00 15.00 C ATOM 79 C THR A 436 -2.745 -2.288 2.778 1.00 15.00 C ATOM 80 O THR A 436 -1.820 -3.076 2.577 1.00 15.00 O ATOM 81 CB THR A 436 -4.587 -3.775 1.950 1.00 15.00 C ATOM 82 OG1 THR A 436 -5.539 -3.923 0.884 1.00 15.00 O ATOM 83 CG2 THR A 436 -5.263 -4.088 3.277 1.00 15.00 C ATOM 0 H THR A 436 -3.510 -2.630 -0.063 1.00 15.00 H new ATOM 0 HA THR A 436 -4.761 -1.675 2.393 1.00 15.00 H new ATOM 0 HB THR A 436 -3.759 -4.470 1.807 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.894 -4.836 0.887 1.00 15.00 H new ATOM 0 HG21 THR A 436 -5.653 -5.106 3.256 1.00 15.00 H new ATOM 0 HG22 THR A 436 -4.538 -3.994 4.086 1.00 15.00 H new ATOM 0 HG23 THR A 436 -6.083 -3.389 3.442 1.00 15.00 H new ATOM 91 N GLU A 437 -2.703 -1.336 3.701 1.00 15.00 N ATOM 92 CA GLU A 437 -1.523 -1.104 4.518 1.00 15.00 C ATOM 93 C GLU A 437 -1.590 -1.879 5.829 1.00 15.00 C ATOM 94 O GLU A 437 -2.569 -1.787 6.572 1.00 15.00 O ATOM 95 CB GLU A 437 -1.373 0.395 4.800 1.00 15.00 C ATOM 96 CG GLU A 437 -2.610 1.037 5.414 1.00 15.00 C ATOM 97 CD GLU A 437 -2.415 2.507 5.709 1.00 15.00 C ATOM 98 OE1 GLU A 437 -2.669 3.332 4.808 1.00 15.00 O ATOM 99 OE2 GLU A 437 -2.015 2.845 6.843 1.00 15.00 O1- ATOM 0 H GLU A 437 -3.481 -0.708 3.902 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.654 -1.460 3.965 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -0.527 0.545 5.471 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.135 0.908 3.868 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.454 0.915 4.735 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.866 0.516 6.336 1.00 15.00 H new ATOM 106 N TYR A 438 -0.551 -2.649 6.101 1.00 15.00 N ATOM 107 CA TYR A 438 -0.417 -3.323 7.380 1.00 15.00 C ATOM 108 C TYR A 438 0.898 -2.919 8.030 1.00 15.00 C ATOM 109 O TYR A 438 1.949 -2.965 7.389 1.00 15.00 O ATOM 110 CB TYR A 438 -0.456 -4.841 7.204 1.00 15.00 C ATOM 111 CG TYR A 438 -1.767 -5.385 6.685 1.00 15.00 C ATOM 112 CD1 TYR A 438 -2.883 -5.458 7.507 1.00 15.00 C ATOM 113 CD2 TYR A 438 -1.885 -5.836 5.376 1.00 15.00 C ATOM 114 CE1 TYR A 438 -4.078 -5.966 7.042 1.00 15.00 C ATOM 115 CE2 TYR A 438 -3.078 -6.348 4.903 1.00 15.00 C ATOM 116 CZ TYR A 438 -4.171 -6.410 5.741 1.00 15.00 C ATOM 117 OH TYR A 438 -5.361 -6.918 5.277 1.00 15.00 O ATOM 0 H TYR A 438 0.215 -2.823 5.450 1.00 15.00 H new ATOM 0 HA TYR A 438 -1.252 -3.029 8.016 1.00 15.00 H new ATOM 0 HB2 TYR A 438 0.340 -5.134 6.519 1.00 15.00 H new ATOM 0 HB3 TYR A 438 -0.239 -5.310 8.164 1.00 15.00 H new ATOM 0 HD1 TYR A 438 -2.815 -5.111 8.528 1.00 15.00 H new ATOM 0 HD2 TYR A 438 -1.030 -5.786 4.718 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -4.937 -6.016 7.695 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -3.154 -6.697 3.884 1.00 15.00 H new ATOM 0 HH TYR A 438 -5.259 -7.186 4.340 1.00 15.00 H new ATOM 127 N LYS A 439 0.844 -2.519 9.287 1.00 15.00 N ATOM 128 CA LYS A 439 2.048 -2.148 10.006 1.00 15.00 C ATOM 129 C LYS A 439 2.485 -3.263 10.948 1.00 15.00 C ATOM 130 O LYS A 439 1.766 -3.636 11.878 1.00 15.00 O ATOM 131 CB LYS A 439 1.862 -0.818 10.751 1.00 15.00 C ATOM 132 CG LYS A 439 0.620 -0.733 11.625 1.00 15.00 C ATOM 133 CD LYS A 439 0.453 0.669 12.187 1.00 15.00 C ATOM 134 CE LYS A 439 -0.746 0.774 13.118 1.00 15.00 C ATOM 135 NZ LYS A 439 -0.599 -0.092 14.313 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.017 -2.443 9.829 1.00 15.00 H new ATOM 0 HA LYS A 439 2.845 -2.002 9.277 1.00 15.00 H new ATOM 0 HB2 LYS A 439 2.738 -0.644 11.375 1.00 15.00 H new ATOM 0 HB3 LYS A 439 1.827 -0.012 10.019 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -0.260 -1.004 11.042 1.00 15.00 H new ATOM 0 HG3 LYS A 439 0.694 -1.451 12.442 1.00 15.00 H new ATOM 0 HD2 LYS A 439 1.356 0.953 12.727 1.00 15.00 H new ATOM 0 HD3 LYS A 439 0.337 1.377 11.366 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -0.870 1.810 13.434 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -1.650 0.495 12.577 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -1.316 0.167 15.020 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -0.727 -1.087 14.039 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 0.350 0.036 14.720 1.00 15.00 H new ATOM 149 N THR A 440 3.665 -3.800 10.688 1.00 15.00 N ATOM 150 CA THR A 440 4.214 -4.874 11.492 1.00 15.00 C ATOM 151 C THR A 440 5.032 -4.311 12.643 1.00 15.00 C ATOM 152 O THR A 440 5.612 -3.223 12.529 1.00 15.00 O ATOM 153 CB THR A 440 5.084 -5.839 10.655 1.00 15.00 C ATOM 154 OG1 THR A 440 5.735 -6.791 11.505 1.00 15.00 O ATOM 155 CG2 THR A 440 6.131 -5.083 9.850 1.00 15.00 C ATOM 0 H THR A 440 4.265 -3.505 9.918 1.00 15.00 H new ATOM 0 HA THR A 440 3.372 -5.442 11.887 1.00 15.00 H new ATOM 0 HB THR A 440 4.422 -6.360 9.963 1.00 15.00 H new ATOM 0 HG1 THR A 440 6.281 -7.396 10.961 1.00 15.00 H new ATOM 0 HG21 THR A 440 6.726 -5.790 9.272 1.00 15.00 H new ATOM 0 HG22 THR A 440 5.636 -4.387 9.173 1.00 15.00 H new ATOM 0 HG23 THR A 440 6.781 -4.530 10.528 1.00 15.00 H new ATOM 163 N ALA A 441 5.064 -5.057 13.747 1.00 15.00 N ATOM 164 CA ALA A 441 5.784 -4.653 14.954 1.00 15.00 C ATOM 165 C ALA A 441 7.276 -4.465 14.687 1.00 15.00 C ATOM 166 O ALA A 441 8.010 -3.965 15.538 1.00 15.00 O ATOM 167 CB ALA A 441 5.574 -5.682 16.054 1.00 15.00 C ATOM 0 H ALA A 441 4.592 -5.957 13.830 1.00 15.00 H new ATOM 0 HA ALA A 441 5.383 -3.692 15.275 1.00 15.00 H new ATOM 0 HB1 ALA A 441 6.114 -5.373 16.949 1.00 15.00 H new ATOM 0 HB2 ALA A 441 4.511 -5.761 16.280 1.00 15.00 H new ATOM 0 HB3 ALA A 441 5.947 -6.651 15.722 1.00 15.00 H new ATOM 173 N ASP A 442 7.716 -4.876 13.501 1.00 15.00 N ATOM 174 CA ASP A 442 9.090 -4.662 13.062 1.00 15.00 C ATOM 175 C ASP A 442 9.325 -3.173 12.780 1.00 15.00 C ATOM 176 O ASP A 442 10.456 -2.727 12.584 1.00 15.00 O ATOM 177 CB ASP A 442 9.377 -5.510 11.813 1.00 15.00 C ATOM 178 CG ASP A 442 10.831 -5.476 11.376 1.00 15.00 C ATOM 179 OD1 ASP A 442 11.716 -5.748 12.213 1.00 15.00 O1- ATOM 180 OD2 ASP A 442 11.092 -5.183 10.193 1.00 15.00 O ATOM 0 H ASP A 442 7.133 -5.364 12.821 1.00 15.00 H new ATOM 0 HA ASP A 442 9.774 -4.971 13.852 1.00 15.00 H new ATOM 0 HB2 ASP A 442 9.090 -6.543 12.011 1.00 15.00 H new ATOM 0 HB3 ASP A 442 8.752 -5.157 10.993 1.00 15.00 H new ATOM 185 N GLY A 443 8.239 -2.406 12.768 1.00 15.00 N ATOM 186 CA GLY A 443 8.343 -0.970 12.607 1.00 15.00 C ATOM 187 C GLY A 443 8.287 -0.565 11.154 1.00 15.00 C ATOM 188 O GLY A 443 8.938 0.395 10.741 1.00 15.00 O ATOM 0 H GLY A 443 7.286 -2.757 12.867 1.00 15.00 H new ATOM 0 HA2 GLY A 443 7.534 -0.483 13.152 1.00 15.00 H new ATOM 0 HA3 GLY A 443 9.278 -0.621 13.046 1.00 15.00 H new ATOM 192 N LYS A 444 7.500 -1.295 10.378 1.00 15.00 N ATOM 193 CA LYS A 444 7.429 -1.074 8.938 1.00 15.00 C ATOM 194 C LYS A 444 6.016 -1.291 8.408 1.00 15.00 C ATOM 195 O LYS A 444 5.350 -2.266 8.761 1.00 15.00 O ATOM 196 CB LYS A 444 8.421 -1.997 8.221 1.00 15.00 C ATOM 197 CG LYS A 444 9.854 -1.480 8.245 1.00 15.00 C ATOM 198 CD LYS A 444 10.861 -2.597 8.447 1.00 15.00 C ATOM 199 CE LYS A 444 10.781 -3.648 7.354 1.00 15.00 C ATOM 200 NZ LYS A 444 11.674 -4.798 7.643 1.00 15.00 N1+ ATOM 0 H LYS A 444 6.901 -2.046 10.720 1.00 15.00 H new ATOM 0 HA LYS A 444 7.697 -0.036 8.739 1.00 15.00 H new ATOM 0 HB2 LYS A 444 8.390 -2.982 8.686 1.00 15.00 H new ATOM 0 HB3 LYS A 444 8.105 -2.123 7.185 1.00 15.00 H new ATOM 0 HG2 LYS A 444 10.068 -0.964 7.309 1.00 15.00 H new ATOM 0 HG3 LYS A 444 9.961 -0.747 9.045 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.867 -2.177 8.471 1.00 15.00 H new ATOM 0 HD3 LYS A 444 10.689 -3.068 9.415 1.00 15.00 H new ATOM 0 HE2 LYS A 444 9.753 -3.998 7.258 1.00 15.00 H new ATOM 0 HE3 LYS A 444 11.056 -3.203 6.398 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 11.297 -5.653 7.187 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 12.626 -4.600 7.274 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 11.726 -4.948 8.671 1.00 15.00 H new ATOM 214 N THR A 445 5.570 -0.376 7.561 1.00 15.00 N ATOM 215 CA THR A 445 4.261 -0.471 6.936 1.00 15.00 C ATOM 216 C THR A 445 4.368 -1.050 5.533 1.00 15.00 C ATOM 217 O THR A 445 5.042 -0.483 4.674 1.00 15.00 O ATOM 218 CB THR A 445 3.591 0.913 6.863 1.00 15.00 C ATOM 219 OG1 THR A 445 4.562 1.900 6.486 1.00 15.00 O ATOM 220 CG2 THR A 445 2.967 1.289 8.196 1.00 15.00 C ATOM 0 H THR A 445 6.103 0.450 7.289 1.00 15.00 H new ATOM 0 HA THR A 445 3.652 -1.135 7.550 1.00 15.00 H new ATOM 0 HB THR A 445 2.799 0.872 6.115 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.096 1.564 5.736 1.00 15.00 H new ATOM 0 HG21 THR A 445 2.501 2.271 8.115 1.00 15.00 H new ATOM 0 HG22 THR A 445 2.212 0.550 8.466 1.00 15.00 H new ATOM 0 HG23 THR A 445 3.739 1.316 8.965 1.00 15.00 H new ATOM 228 N TYR A 446 3.719 -2.181 5.302 1.00 15.00 N ATOM 229 CA TYR A 446 3.719 -2.783 3.979 1.00 15.00 C ATOM 230 C TYR A 446 2.330 -2.702 3.357 1.00 15.00 C ATOM 231 O TYR A 446 1.335 -3.141 3.941 1.00 15.00 O ATOM 232 CB TYR A 446 4.230 -4.235 4.021 1.00 15.00 C ATOM 233 CG TYR A 446 3.462 -5.171 4.934 1.00 15.00 C ATOM 234 CD1 TYR A 446 3.774 -5.267 6.285 1.00 15.00 C ATOM 235 CD2 TYR A 446 2.432 -5.969 4.443 1.00 15.00 C ATOM 236 CE1 TYR A 446 3.082 -6.123 7.120 1.00 15.00 C ATOM 237 CE2 TYR A 446 1.736 -6.827 5.273 1.00 15.00 C ATOM 238 CZ TYR A 446 2.065 -6.900 6.611 1.00 15.00 C ATOM 239 OH TYR A 446 1.367 -7.750 7.443 1.00 15.00 O ATOM 0 H TYR A 446 3.191 -2.696 6.006 1.00 15.00 H new ATOM 0 HA TYR A 446 4.407 -2.218 3.350 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.204 -4.640 3.009 1.00 15.00 H new ATOM 0 HB3 TYR A 446 5.274 -4.225 4.334 1.00 15.00 H new ATOM 0 HD1 TYR A 446 4.572 -4.662 6.689 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.173 -5.916 3.396 1.00 15.00 H new ATOM 0 HE1 TYR A 446 3.337 -6.183 8.168 1.00 15.00 H new ATOM 0 HE2 TYR A 446 0.938 -7.438 4.876 1.00 15.00 H new ATOM 0 HH TYR A 446 0.683 -8.225 6.926 1.00 15.00 H new ATOM 249 N TYR A 447 2.275 -2.114 2.177 1.00 15.00 N ATOM 250 CA TYR A 447 1.039 -1.987 1.426 1.00 15.00 C ATOM 251 C TYR A 447 0.928 -3.132 0.429 1.00 15.00 C ATOM 252 O TYR A 447 1.756 -3.253 -0.470 1.00 15.00 O ATOM 253 CB TYR A 447 1.000 -0.654 0.662 1.00 15.00 C ATOM 254 CG TYR A 447 0.990 0.591 1.528 1.00 15.00 C ATOM 255 CD1 TYR A 447 2.098 0.955 2.281 1.00 15.00 C ATOM 256 CD2 TYR A 447 -0.128 1.416 1.568 1.00 15.00 C ATOM 257 CE1 TYR A 447 2.093 2.099 3.056 1.00 15.00 C ATOM 258 CE2 TYR A 447 -0.140 2.567 2.336 1.00 15.00 C ATOM 259 CZ TYR A 447 0.973 2.903 3.079 1.00 15.00 C ATOM 260 OH TYR A 447 0.972 4.052 3.840 1.00 15.00 O ATOM 0 H TYR A 447 3.087 -1.710 1.711 1.00 15.00 H new ATOM 0 HA TYR A 447 0.206 -2.018 2.128 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.865 -0.609 -0.000 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.113 -0.643 0.029 1.00 15.00 H new ATOM 0 HD1 TYR A 447 2.980 0.332 2.261 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.002 1.154 0.990 1.00 15.00 H new ATOM 0 HE1 TYR A 447 2.962 2.362 3.641 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -1.016 3.199 2.354 1.00 15.00 H new ATOM 0 HH TYR A 447 0.108 4.506 3.746 1.00 15.00 H new ATOM 270 N TYR A 448 -0.076 -3.975 0.579 1.00 15.00 N ATOM 271 CA TYR A 448 -0.285 -5.045 -0.383 1.00 15.00 C ATOM 272 C TYR A 448 -1.190 -4.554 -1.494 1.00 15.00 C ATOM 273 O TYR A 448 -2.331 -4.145 -1.252 1.00 15.00 O ATOM 274 CB TYR A 448 -0.884 -6.298 0.266 1.00 15.00 C ATOM 275 CG TYR A 448 -1.162 -7.401 -0.734 1.00 15.00 C ATOM 276 CD1 TYR A 448 -0.128 -8.161 -1.266 1.00 15.00 C ATOM 277 CD2 TYR A 448 -2.458 -7.663 -1.166 1.00 15.00 C ATOM 278 CE1 TYR A 448 -0.376 -9.149 -2.201 1.00 15.00 C ATOM 279 CE2 TYR A 448 -2.714 -8.654 -2.095 1.00 15.00 C ATOM 280 CZ TYR A 448 -1.670 -9.391 -2.612 1.00 15.00 C ATOM 281 OH TYR A 448 -1.921 -10.370 -3.551 1.00 15.00 O ATOM 0 H TYR A 448 -0.750 -3.944 1.344 1.00 15.00 H new ATOM 0 HA TYR A 448 0.688 -5.325 -0.788 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -0.199 -6.669 1.029 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.811 -6.031 0.773 1.00 15.00 H new ATOM 0 HD1 TYR A 448 0.886 -7.977 -0.944 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.278 -7.083 -0.769 1.00 15.00 H new ATOM 0 HE1 TYR A 448 0.440 -9.728 -2.607 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -3.727 -8.850 -2.414 1.00 15.00 H new ATOM 0 HH TYR A 448 -2.884 -10.413 -3.729 1.00 15.00 H new ATOM 291 N ASN A 449 -0.677 -4.576 -2.708 1.00 15.00 N ATOM 292 CA ASN A 449 -1.438 -4.123 -3.849 1.00 15.00 C ATOM 293 C ASN A 449 -1.735 -5.272 -4.794 1.00 15.00 C ATOM 294 O ASN A 449 -0.868 -6.094 -5.099 1.00 15.00 O ATOM 295 CB ASN A 449 -0.701 -2.999 -4.588 1.00 15.00 C ATOM 296 CG ASN A 449 0.570 -3.442 -5.299 1.00 15.00 C ATOM 297 OD1 ASN A 449 1.231 -4.397 -4.909 1.00 15.00 O ATOM 298 ND2 ASN A 449 0.929 -2.720 -6.346 1.00 15.00 N ATOM 0 H ASN A 449 0.264 -4.903 -2.927 1.00 15.00 H new ATOM 0 HA ASN A 449 -2.385 -3.728 -3.482 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -1.377 -2.558 -5.320 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -0.449 -2.215 -3.874 1.00 15.00 H new ATOM 0 HD21 ASN A 449 1.781 -2.951 -6.857 1.00 15.00 H new ATOM 0 HD22 ASN A 449 0.354 -1.931 -6.643 1.00 15.00 H new ATOM 305 N ASN A 450 -2.970 -5.309 -5.260 1.00 15.00 N ATOM 306 CA ASN A 450 -3.387 -6.266 -6.275 1.00 15.00 C ATOM 307 C ASN A 450 -2.824 -5.860 -7.634 1.00 15.00 C ATOM 308 O ASN A 450 -2.931 -6.599 -8.610 1.00 15.00 O ATOM 309 CB ASN A 450 -4.919 -6.352 -6.344 1.00 15.00 C ATOM 310 CG ASN A 450 -5.575 -5.036 -6.736 1.00 15.00 C ATOM 311 OD1 ASN A 450 -5.067 -3.953 -6.440 1.00 15.00 O ATOM 312 ND2 ASN A 450 -6.716 -5.123 -7.401 1.00 15.00 N ATOM 0 H ASN A 450 -3.711 -4.681 -4.949 1.00 15.00 H new ATOM 0 HA ASN A 450 -3.000 -7.248 -6.005 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -5.202 -7.120 -7.064 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.303 -6.667 -5.374 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.206 -4.275 -7.687 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -7.106 -6.038 -7.628 1.00 15.00 H new ATOM 319 N ARG A 451 -2.230 -4.670 -7.684 1.00 15.00 N ATOM 320 CA ARG A 451 -1.614 -4.167 -8.902 1.00 15.00 C ATOM 321 C ARG A 451 -0.333 -4.933 -9.220 1.00 15.00 C ATOM 322 O ARG A 451 -0.103 -5.333 -10.358 1.00 15.00 O ATOM 323 CB ARG A 451 -1.320 -2.669 -8.779 1.00 15.00 C ATOM 324 CG ARG A 451 -0.642 -2.069 -10.003 1.00 15.00 C ATOM 325 CD ARG A 451 -0.346 -0.586 -9.820 1.00 15.00 C ATOM 326 NE ARG A 451 -1.565 0.211 -9.677 1.00 15.00 N ATOM 327 CZ ARG A 451 -1.590 1.542 -9.597 1.00 15.00 C ATOM 328 NH1 ARG A 451 -0.458 2.242 -9.635 1.00 15.00 N1+ ATOM 329 NH2 ARG A 451 -2.750 2.171 -9.476 1.00 15.00 N ATOM 0 H ARG A 451 -2.164 -4.035 -6.888 1.00 15.00 H new ATOM 0 HA ARG A 451 -2.317 -4.318 -9.722 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -2.255 -2.139 -8.598 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -0.686 -2.504 -7.908 1.00 15.00 H new ATOM 0 HG2 ARG A 451 0.288 -2.603 -10.201 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -1.281 -2.207 -10.876 1.00 15.00 H new ATOM 0 HD2 ARG A 451 0.280 -0.449 -8.938 1.00 15.00 H new ATOM 0 HD3 ARG A 451 0.224 -0.223 -10.675 1.00 15.00 H new ATOM 0 HE ARG A 451 -2.455 -0.285 -9.636 1.00 15.00 H new ATOM 0 HH11 ARG A 451 0.437 1.760 -9.726 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -0.485 3.260 -9.573 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -3.619 1.637 -9.444 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -2.774 3.189 -9.414 1.00 15.00 H new ATOM 343 N THR A 452 0.509 -5.113 -8.211 1.00 15.00 N ATOM 344 CA THR A 452 1.781 -5.798 -8.394 1.00 15.00 C ATOM 345 C THR A 452 1.803 -7.158 -7.675 1.00 15.00 C ATOM 346 O THR A 452 2.774 -7.910 -7.790 1.00 15.00 O ATOM 347 CB THR A 452 2.938 -4.915 -7.877 1.00 15.00 C ATOM 348 OG1 THR A 452 2.716 -3.551 -8.278 1.00 15.00 O ATOM 349 CG2 THR A 452 4.281 -5.383 -8.421 1.00 15.00 C ATOM 0 H THR A 452 0.334 -4.794 -7.258 1.00 15.00 H new ATOM 0 HA THR A 452 1.908 -5.980 -9.461 1.00 15.00 H new ATOM 0 HB THR A 452 2.962 -4.992 -6.790 1.00 15.00 H new ATOM 0 HG1 THR A 452 3.366 -2.969 -7.832 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.073 -4.740 -8.037 1.00 15.00 H new ATOM 0 HG22 THR A 452 4.463 -6.410 -8.106 1.00 15.00 H new ATOM 0 HG23 THR A 452 4.269 -5.334 -9.510 1.00 15.00 H new ATOM 357 N LEU A 453 0.716 -7.482 -6.959 1.00 15.00 N ATOM 358 CA LEU A 453 0.641 -8.707 -6.153 1.00 15.00 C ATOM 359 C LEU A 453 1.757 -8.708 -5.111 1.00 15.00 C ATOM 360 O LEU A 453 2.228 -9.763 -4.681 1.00 15.00 O ATOM 361 CB LEU A 453 0.748 -9.965 -7.034 1.00 15.00 C ATOM 362 CG LEU A 453 -0.439 -10.238 -7.968 1.00 15.00 C ATOM 363 CD1 LEU A 453 -0.415 -9.317 -9.180 1.00 15.00 C ATOM 364 CD2 LEU A 453 -0.446 -11.697 -8.403 1.00 15.00 C ATOM 0 H LEU A 453 -0.127 -6.908 -6.923 1.00 15.00 H new ATOM 0 HA LEU A 453 -0.328 -8.726 -5.654 1.00 15.00 H new ATOM 0 HB2 LEU A 453 1.650 -9.883 -7.640 1.00 15.00 H new ATOM 0 HB3 LEU A 453 0.878 -10.830 -6.383 1.00 15.00 H new ATOM 0 HG LEU A 453 -1.356 -10.033 -7.415 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -1.269 -9.537 -9.821 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -0.466 -8.280 -8.850 1.00 15.00 H new ATOM 0 HD13 LEU A 453 0.508 -9.475 -9.738 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -1.293 -11.875 -9.065 1.00 15.00 H new ATOM 0 HD22 LEU A 453 0.480 -11.924 -8.931 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -0.530 -12.338 -7.525 1.00 15.00 H new ATOM 376 N GLU A 454 2.122 -7.514 -4.659 1.00 15.00 N ATOM 377 CA GLU A 454 3.328 -7.338 -3.861 1.00 15.00 C ATOM 378 C GLU A 454 3.050 -6.483 -2.629 1.00 15.00 C ATOM 379 O GLU A 454 2.174 -5.617 -2.638 1.00 15.00 O ATOM 380 CB GLU A 454 4.416 -6.684 -4.726 1.00 15.00 C ATOM 381 CG GLU A 454 5.722 -6.405 -3.991 1.00 15.00 C ATOM 382 CD GLU A 454 6.408 -7.665 -3.499 1.00 15.00 C ATOM 383 OE1 GLU A 454 5.956 -8.245 -2.487 1.00 15.00 O ATOM 384 OE2 GLU A 454 7.416 -8.072 -4.111 1.00 15.00 O1- ATOM 0 H GLU A 454 1.600 -6.655 -4.832 1.00 15.00 H new ATOM 0 HA GLU A 454 3.669 -8.315 -3.519 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.624 -7.332 -5.578 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.030 -5.746 -5.125 1.00 15.00 H new ATOM 0 HG2 GLU A 454 6.398 -5.866 -4.655 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.522 -5.752 -3.142 1.00 15.00 H new ATOM 391 N SER A 455 3.802 -6.736 -1.570 1.00 15.00 N ATOM 392 CA SER A 455 3.764 -5.893 -0.394 1.00 15.00 C ATOM 393 C SER A 455 4.869 -4.844 -0.493 1.00 15.00 C ATOM 394 O SER A 455 6.041 -5.138 -0.266 1.00 15.00 O ATOM 395 CB SER A 455 3.926 -6.736 0.872 1.00 15.00 C ATOM 396 OG SER A 455 2.975 -7.790 0.892 1.00 15.00 O ATOM 0 H SER A 455 4.448 -7.523 -1.504 1.00 15.00 H new ATOM 0 HA SER A 455 2.799 -5.390 -0.338 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.935 -7.147 0.916 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.800 -6.107 1.753 1.00 15.00 H new ATOM 0 HG SER A 455 3.093 -8.321 1.707 1.00 15.00 H new ATOM 402 N THR A 456 4.490 -3.637 -0.886 1.00 15.00 N ATOM 403 CA THR A 456 5.446 -2.568 -1.125 1.00 15.00 C ATOM 404 C THR A 456 5.600 -1.681 0.113 1.00 15.00 C ATOM 405 O THR A 456 4.638 -1.447 0.844 1.00 15.00 O ATOM 406 CB THR A 456 5.027 -1.714 -2.350 1.00 15.00 C ATOM 407 OG1 THR A 456 5.968 -0.656 -2.574 1.00 15.00 O ATOM 408 CG2 THR A 456 3.633 -1.124 -2.173 1.00 15.00 C ATOM 0 H THR A 456 3.518 -3.373 -1.047 1.00 15.00 H new ATOM 0 HA THR A 456 6.411 -3.028 -1.339 1.00 15.00 H new ATOM 0 HB THR A 456 5.013 -2.377 -3.215 1.00 15.00 H new ATOM 0 HG1 THR A 456 5.689 -0.129 -3.351 1.00 15.00 H new ATOM 0 HG21 THR A 456 3.374 -0.532 -3.051 1.00 15.00 H new ATOM 0 HG22 THR A 456 2.909 -1.930 -2.053 1.00 15.00 H new ATOM 0 HG23 THR A 456 3.617 -0.487 -1.289 1.00 15.00 H new ATOM 416 N PHE A 457 6.814 -1.205 0.351 1.00 15.00 N ATOM 417 CA PHE A 457 7.086 -0.324 1.483 1.00 15.00 C ATOM 418 C PHE A 457 7.114 1.124 1.015 1.00 15.00 C ATOM 419 O PHE A 457 7.372 2.049 1.788 1.00 15.00 O ATOM 420 CB PHE A 457 8.414 -0.699 2.150 1.00 15.00 C ATOM 421 CG PHE A 457 8.417 -2.077 2.755 1.00 15.00 C ATOM 422 CD1 PHE A 457 7.913 -2.288 4.028 1.00 15.00 C ATOM 423 CD2 PHE A 457 8.927 -3.158 2.053 1.00 15.00 C ATOM 424 CE1 PHE A 457 7.918 -3.552 4.590 1.00 15.00 C ATOM 425 CE2 PHE A 457 8.933 -4.422 2.609 1.00 15.00 C ATOM 426 CZ PHE A 457 8.428 -4.618 3.878 1.00 15.00 C ATOM 0 H PHE A 457 7.630 -1.414 -0.225 1.00 15.00 H new ATOM 0 HA PHE A 457 6.291 -0.441 2.220 1.00 15.00 H new ATOM 0 HB2 PHE A 457 9.213 -0.634 1.411 1.00 15.00 H new ATOM 0 HB3 PHE A 457 8.639 0.031 2.928 1.00 15.00 H new ATOM 0 HD1 PHE A 457 7.512 -1.456 4.588 1.00 15.00 H new ATOM 0 HD2 PHE A 457 9.324 -3.010 1.060 1.00 15.00 H new ATOM 0 HE1 PHE A 457 7.524 -3.704 5.584 1.00 15.00 H new ATOM 0 HE2 PHE A 457 9.332 -5.256 2.051 1.00 15.00 H new ATOM 0 HZ PHE A 457 8.432 -5.606 4.314 1.00 15.00 H new ATOM 436 N GLU A 458 6.837 1.305 -0.263 1.00 15.00 N ATOM 437 CA GLU A 458 6.779 2.623 -0.866 1.00 15.00 C ATOM 438 C GLU A 458 5.338 3.118 -0.900 1.00 15.00 C ATOM 439 O GLU A 458 4.468 2.463 -1.481 1.00 15.00 O ATOM 440 CB GLU A 458 7.348 2.565 -2.285 1.00 15.00 C ATOM 441 CG GLU A 458 7.148 3.839 -3.090 1.00 15.00 C ATOM 442 CD GLU A 458 7.475 3.648 -4.555 1.00 15.00 C ATOM 443 OE1 GLU A 458 8.648 3.836 -4.935 1.00 15.00 O1- ATOM 444 OE2 GLU A 458 6.565 3.286 -5.331 1.00 15.00 O ATOM 0 H GLU A 458 6.646 0.542 -0.912 1.00 15.00 H new ATOM 0 HA GLU A 458 7.374 3.316 -0.271 1.00 15.00 H new ATOM 0 HB2 GLU A 458 8.415 2.349 -2.228 1.00 15.00 H new ATOM 0 HB3 GLU A 458 6.882 1.736 -2.817 1.00 15.00 H new ATOM 0 HG2 GLU A 458 6.114 4.171 -2.991 1.00 15.00 H new ATOM 0 HG3 GLU A 458 7.777 4.629 -2.679 1.00 15.00 H new ATOM 451 N LYS A 459 5.085 4.260 -0.272 1.00 15.00 N ATOM 452 CA LYS A 459 3.761 4.864 -0.306 1.00 15.00 C ATOM 453 C LYS A 459 3.392 5.271 -1.728 1.00 15.00 C ATOM 454 O LYS A 459 4.086 6.070 -2.359 1.00 15.00 O ATOM 455 CB LYS A 459 3.674 6.078 0.621 1.00 15.00 C ATOM 456 CG LYS A 459 3.641 5.721 2.098 1.00 15.00 C ATOM 457 CD LYS A 459 3.274 6.919 2.971 1.00 15.00 C ATOM 458 CE LYS A 459 1.823 7.361 2.783 1.00 15.00 C ATOM 459 NZ LYS A 459 1.606 8.082 1.497 1.00 15.00 N1+ ATOM 0 H LYS A 459 5.777 4.784 0.264 1.00 15.00 H new ATOM 0 HA LYS A 459 3.052 4.115 0.046 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.528 6.729 0.433 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.778 6.648 0.375 1.00 15.00 H new ATOM 0 HG2 LYS A 459 2.920 4.920 2.261 1.00 15.00 H new ATOM 0 HG3 LYS A 459 4.616 5.338 2.400 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.440 6.665 4.018 1.00 15.00 H new ATOM 0 HD3 LYS A 459 3.937 7.752 2.736 1.00 15.00 H new ATOM 0 HE2 LYS A 459 1.173 6.487 2.819 1.00 15.00 H new ATOM 0 HE3 LYS A 459 1.534 8.008 3.611 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 0.894 8.828 1.633 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 2.501 8.510 1.184 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 1.272 7.412 0.775 1.00 15.00 H new ATOM 473 N PRO A 460 2.298 4.712 -2.247 1.00 15.00 N ATOM 474 CA PRO A 460 1.828 5.006 -3.591 1.00 15.00 C ATOM 475 C PRO A 460 1.060 6.322 -3.652 1.00 15.00 C ATOM 476 O PRO A 460 0.254 6.631 -2.766 1.00 15.00 O ATOM 477 CB PRO A 460 0.914 3.826 -3.904 1.00 15.00 C ATOM 478 CG PRO A 460 0.414 3.349 -2.583 1.00 15.00 C ATOM 479 CD PRO A 460 1.434 3.745 -1.551 1.00 15.00 C ATOM 0 HA PRO A 460 2.645 5.124 -4.303 1.00 15.00 H new ATOM 0 HB2 PRO A 460 0.090 4.128 -4.550 1.00 15.00 H new ATOM 0 HB3 PRO A 460 1.456 3.038 -4.427 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -0.555 3.793 -2.356 1.00 15.00 H new ATOM 0 HG3 PRO A 460 0.276 2.268 -2.592 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.962 4.191 -0.676 1.00 15.00 H new ATOM 0 HD3 PRO A 460 2.002 2.883 -1.202 1.00 15.00 H new ATOM 487 N GLN A 461 1.294 7.077 -4.715 1.00 15.00 N ATOM 488 CA GLN A 461 0.684 8.389 -4.885 1.00 15.00 C ATOM 489 C GLN A 461 -0.809 8.270 -5.186 1.00 15.00 C ATOM 490 O GLN A 461 -1.541 9.262 -5.167 1.00 15.00 O ATOM 491 CB GLN A 461 1.393 9.157 -5.999 1.00 15.00 C ATOM 492 CG GLN A 461 1.373 8.445 -7.340 1.00 15.00 C ATOM 493 CD GLN A 461 2.156 9.187 -8.402 1.00 15.00 C ATOM 494 OE1 GLN A 461 3.352 8.955 -8.586 1.00 15.00 O ATOM 495 NE2 GLN A 461 1.494 10.094 -9.100 1.00 15.00 N ATOM 0 H GLN A 461 1.908 6.800 -5.481 1.00 15.00 H new ATOM 0 HA GLN A 461 0.793 8.938 -3.950 1.00 15.00 H new ATOM 0 HB2 GLN A 461 0.924 10.135 -6.110 1.00 15.00 H new ATOM 0 HB3 GLN A 461 2.428 9.332 -5.706 1.00 15.00 H new ATOM 0 HG2 GLN A 461 1.786 7.443 -7.222 1.00 15.00 H new ATOM 0 HG3 GLN A 461 0.341 8.327 -7.670 1.00 15.00 H new ATOM 0 HE21 GLN A 461 0.504 10.256 -8.917 1.00 15.00 H new ATOM 0 HE22 GLN A 461 1.974 10.632 -9.822 1.00 15.00 H new ATOM 504 N GLU A 462 -1.252 7.056 -5.482 1.00 15.00 N ATOM 505 CA GLU A 462 -2.663 6.789 -5.722 1.00 15.00 C ATOM 506 C GLU A 462 -3.478 6.956 -4.446 1.00 15.00 C ATOM 507 O GLU A 462 -4.678 7.227 -4.499 1.00 15.00 O ATOM 508 CB GLU A 462 -2.874 5.373 -6.268 1.00 15.00 C ATOM 509 CG GLU A 462 -2.382 5.155 -7.693 1.00 15.00 C ATOM 510 CD GLU A 462 -0.875 5.024 -7.808 1.00 15.00 C ATOM 511 OE1 GLU A 462 -0.180 5.051 -6.773 1.00 15.00 O ATOM 512 OE2 GLU A 462 -0.386 4.881 -8.950 1.00 15.00 O1- ATOM 0 H GLU A 462 -0.650 6.236 -5.562 1.00 15.00 H new ATOM 0 HA GLU A 462 -3.003 7.513 -6.463 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.366 4.667 -5.612 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.938 5.138 -6.226 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.847 4.254 -8.094 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.713 5.988 -8.313 1.00 15.00 H new ATOM 519 N LEU A 463 -2.829 6.778 -3.302 1.00 15.00 N ATOM 520 CA LEU A 463 -3.520 6.831 -2.021 1.00 15.00 C ATOM 521 C LEU A 463 -3.009 7.998 -1.181 1.00 15.00 C ATOM 522 O LEU A 463 -3.353 8.121 -0.003 1.00 15.00 O ATOM 523 CB LEU A 463 -3.338 5.504 -1.271 1.00 15.00 C ATOM 524 CG LEU A 463 -4.250 5.315 -0.056 1.00 15.00 C ATOM 525 CD1 LEU A 463 -5.709 5.334 -0.481 1.00 15.00 C ATOM 526 CD2 LEU A 463 -3.920 4.018 0.665 1.00 15.00 C ATOM 0 H LEU A 463 -1.828 6.596 -3.236 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.583 6.987 -2.204 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.512 4.684 -1.968 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.301 5.429 -0.943 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.080 6.141 0.634 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -6.345 5.198 0.394 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -5.938 6.290 -0.952 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -5.892 4.527 -1.191 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -4.579 3.902 1.525 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.060 3.178 -0.015 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.884 4.043 1.002 1.00 15.00 H new ATOM 538 N LYS A 464 -2.215 8.866 -1.816 1.00 15.00 N ATOM 539 CA LYS A 464 -1.655 10.054 -1.169 1.00 15.00 C ATOM 540 C LYS A 464 -0.517 9.668 -0.228 1.00 15.00 C ATOM 541 O LYS A 464 -0.782 9.188 0.893 1.00 15.00 O ATOM 542 CB LYS A 464 -2.750 10.843 -0.432 1.00 15.00 C ATOM 543 CG LYS A 464 -2.282 12.146 0.194 1.00 15.00 C ATOM 544 CD LYS A 464 -3.452 12.907 0.795 1.00 15.00 C ATOM 545 CE LYS A 464 -3.015 14.210 1.443 1.00 15.00 C ATOM 546 NZ LYS A 464 -2.110 13.986 2.602 1.00 15.00 N1+ ATOM 547 OXT LYS A 464 0.654 9.849 -0.620 1.00 15.00 O ATOM 0 H LYS A 464 -1.943 8.764 -2.794 1.00 15.00 H new ATOM 0 HA LYS A 464 -1.243 10.704 -1.941 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -3.556 11.061 -1.133 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -3.171 10.211 0.350 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -1.542 11.938 0.967 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -1.791 12.761 -0.560 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -4.185 13.118 0.016 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -3.947 12.282 1.538 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -2.508 14.830 0.703 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -3.895 14.763 1.773 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -1.974 14.881 3.114 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -2.532 13.282 3.241 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -1.191 13.638 2.262 1.00 15.00 H new TER 561 LYS A 464