USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 508 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.6) USER MOD Set 1.2: A 510 LYS NZ :NH3+ -175:sc=-0.000433 (180deg=0) USER MOD Set 2.1: A 462 TYR OH : rot 130:sc= 0.635 USER MOD Set 2.2: A 480 LYS NZ :NH3+ -112:sc= 0.82 (180deg=0.069) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 19:sc= -1.42 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 139:sc= -1.88 (180deg=-4.25!) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 470 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.4!) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 489 THR OG1 : rot 70:sc= 0.701 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.183 X(o=-0.18,f=0.0067) USER MOD Single : A 505 LYS NZ :NH3+ -148:sc= -0.0925 (180deg=-1.43!) USER MOD Single : A 506 MET CE :methyl 165:sc= -0.0142 (180deg=-0.258) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.69) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.494 0.628 4.333 1.00 0.00 N ATOM 46 CA VAL A 454 -9.199 -0.004 4.112 1.00 0.00 C ATOM 47 C VAL A 454 -8.605 -0.510 5.422 1.00 0.00 C ATOM 48 O VAL A 454 -8.637 0.183 6.439 1.00 0.00 O ATOM 49 CB VAL A 454 -8.204 0.970 3.453 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.922 0.247 3.068 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.834 1.636 2.239 1.00 0.00 C ATOM 0 HA VAL A 454 -9.368 -0.847 3.442 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.952 1.746 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.232 0.952 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.462 -0.178 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.152 -0.552 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.117 2.321 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.117 0.875 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.720 2.191 2.547 1.00 0.00 H new ATOM 61 N THR A 455 -8.064 -1.724 5.390 1.00 0.00 N ATOM 62 CA THR A 455 -7.463 -2.324 6.576 1.00 0.00 C ATOM 63 C THR A 455 -5.955 -2.472 6.406 1.00 0.00 C ATOM 64 O THR A 455 -5.470 -2.789 5.320 1.00 0.00 O ATOM 65 CB THR A 455 -8.093 -3.690 6.856 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.500 -3.578 6.977 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.574 -4.340 8.120 1.00 0.00 C ATOM 0 H THR A 455 -8.030 -2.311 4.557 1.00 0.00 H new ATOM 0 HA THR A 455 -7.652 -1.664 7.422 1.00 0.00 H new ATOM 0 HB THR A 455 -7.818 -4.315 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.884 -4.462 7.154 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.061 -5.305 8.259 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.497 -4.486 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.789 -3.698 8.974 1.00 0.00 H new ATOM 75 N GLU A 456 -5.218 -2.240 7.488 1.00 0.00 N ATOM 76 CA GLU A 456 -3.764 -2.347 7.459 1.00 0.00 C ATOM 77 C GLU A 456 -3.329 -3.758 7.077 1.00 0.00 C ATOM 78 O GLU A 456 -2.324 -3.944 6.391 1.00 0.00 O ATOM 79 CB GLU A 456 -3.179 -1.973 8.823 1.00 0.00 C ATOM 80 CG GLU A 456 -3.463 -0.537 9.234 1.00 0.00 C ATOM 81 CD GLU A 456 -2.858 -0.183 10.579 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.341 -1.096 11.258 1.00 0.00 O ATOM 83 OE2 GLU A 456 -2.903 1.007 10.954 1.00 0.00 O ATOM 0 H GLU A 456 -5.604 -1.977 8.395 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.388 -1.654 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.584 -2.645 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.101 -2.130 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -3.070 0.139 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -4.541 -0.381 9.273 1.00 0.00 H new ATOM 90 N ASP A 457 -4.092 -4.749 7.527 1.00 0.00 N ATOM 91 CA ASP A 457 -3.785 -6.144 7.234 1.00 0.00 C ATOM 92 C ASP A 457 -3.782 -6.397 5.729 1.00 0.00 C ATOM 93 O ASP A 457 -2.946 -7.140 5.217 1.00 0.00 O ATOM 94 CB ASP A 457 -4.799 -7.065 7.915 1.00 0.00 C ATOM 95 CG ASP A 457 -4.698 -7.019 9.428 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.677 -6.513 9.940 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.640 -7.487 10.100 1.00 0.00 O ATOM 0 H ASP A 457 -4.927 -4.612 8.096 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.790 -6.360 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.806 -6.779 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.642 -8.088 7.574 1.00 0.00 H new ATOM 102 N ALA A 458 -4.723 -5.774 5.028 1.00 0.00 N ATOM 103 CA ALA A 458 -4.828 -5.932 3.582 1.00 0.00 C ATOM 104 C ALA A 458 -3.570 -5.430 2.882 1.00 0.00 C ATOM 105 O ALA A 458 -3.092 -6.043 1.928 1.00 0.00 O ATOM 106 CB ALA A 458 -6.054 -5.198 3.059 1.00 0.00 C ATOM 0 H ALA A 458 -5.423 -5.155 5.437 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.934 -6.995 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.120 -5.324 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.950 -5.606 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.972 -4.137 3.296 1.00 0.00 H new ATOM 112 N VAL A 459 -3.038 -4.311 3.364 1.00 0.00 N ATOM 113 CA VAL A 459 -1.834 -3.727 2.785 1.00 0.00 C ATOM 114 C VAL A 459 -0.626 -4.631 3.006 1.00 0.00 C ATOM 115 O VAL A 459 0.215 -4.788 2.120 1.00 0.00 O ATOM 116 CB VAL A 459 -1.540 -2.338 3.384 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.357 -1.689 2.682 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.771 -1.448 3.300 1.00 0.00 C ATOM 0 H VAL A 459 -3.422 -3.791 4.153 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.015 -3.621 1.715 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.282 -2.466 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.167 -0.709 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.526 -2.317 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.581 -1.575 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.544 -0.472 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.063 -1.328 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.590 -1.906 3.855 1.00 0.00 H new ATOM 128 N ARG A 460 -0.546 -5.224 4.193 1.00 0.00 N ATOM 129 CA ARG A 460 0.559 -6.113 4.531 1.00 0.00 C ATOM 130 C ARG A 460 0.630 -7.290 3.564 1.00 0.00 C ATOM 131 O ARG A 460 1.715 -7.736 3.191 1.00 0.00 O ATOM 132 CB ARG A 460 0.407 -6.627 5.964 1.00 0.00 C ATOM 133 CG ARG A 460 0.524 -5.538 7.018 1.00 0.00 C ATOM 134 CD ARG A 460 0.412 -6.110 8.423 1.00 0.00 C ATOM 135 NE ARG A 460 0.384 -5.062 9.441 1.00 0.00 N ATOM 136 CZ ARG A 460 1.470 -4.440 9.895 1.00 0.00 C ATOM 137 NH1 ARG A 460 2.670 -4.755 9.424 1.00 0.00 N ATOM 138 NH2 ARG A 460 1.355 -3.500 10.823 1.00 0.00 N ATOM 0 H ARG A 460 -1.234 -5.105 4.937 1.00 0.00 H new ATOM 0 HA ARG A 460 1.485 -5.544 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.562 -7.116 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 460 1.167 -7.385 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.479 -5.024 6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -0.258 -4.794 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.493 -6.712 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 460 1.254 -6.776 8.611 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.521 -4.791 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 460 2.764 -5.477 8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 460 3.498 -4.275 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.435 -3.254 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 460 2.186 -3.023 11.171 1.00 0.00 H new ATOM 152 N ARG A 461 -0.534 -7.791 3.163 1.00 0.00 N ATOM 153 CA ARG A 461 -0.606 -8.919 2.241 1.00 0.00 C ATOM 154 C ARG A 461 0.106 -8.603 0.928 1.00 0.00 C ATOM 155 O ARG A 461 0.808 -9.447 0.373 1.00 0.00 O ATOM 156 CB ARG A 461 -2.065 -9.287 1.966 1.00 0.00 C ATOM 157 CG ARG A 461 -2.812 -9.774 3.197 1.00 0.00 C ATOM 158 CD ARG A 461 -4.216 -10.241 2.848 1.00 0.00 C ATOM 159 NE ARG A 461 -4.992 -9.196 2.185 1.00 0.00 N ATOM 160 CZ ARG A 461 -6.274 -9.322 1.853 1.00 0.00 C ATOM 161 NH1 ARG A 461 -6.928 -10.446 2.119 1.00 0.00 N ATOM 162 NH2 ARG A 461 -6.905 -8.323 1.253 1.00 0.00 N ATOM 0 H ARG A 461 -1.441 -7.433 3.462 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.104 -9.766 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.580 -8.417 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.097 -10.063 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.260 -10.592 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.867 -8.971 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.156 -11.115 2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.731 -10.553 3.757 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.523 -8.318 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -6.448 -11.219 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -7.911 -10.537 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -6.408 -7.457 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -7.888 -8.420 0.999 1.00 0.00 H new ATOM 176 N TYR A 462 -0.083 -7.382 0.437 1.00 0.00 N ATOM 177 CA TYR A 462 0.541 -6.958 -0.812 1.00 0.00 C ATOM 178 C TYR A 462 2.051 -6.814 -0.649 1.00 0.00 C ATOM 179 O TYR A 462 2.823 -7.293 -1.479 1.00 0.00 O ATOM 180 CB TYR A 462 -0.061 -5.632 -1.281 1.00 0.00 C ATOM 181 CG TYR A 462 -1.528 -5.724 -1.637 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.933 -6.236 -2.864 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.507 -5.300 -0.748 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.273 -6.321 -3.194 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.848 -5.383 -1.070 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.226 -5.894 -2.294 1.00 0.00 C ATOM 187 OH TYR A 462 -5.560 -5.978 -2.618 1.00 0.00 O ATOM 0 H TYR A 462 -0.662 -6.670 0.883 1.00 0.00 H new ATOM 0 HA TYR A 462 0.348 -7.725 -1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.068 -4.887 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.494 -5.278 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.189 -6.573 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.215 -4.899 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.572 -6.720 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.597 -5.049 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.047 -6.416 -1.889 1.00 0.00 H new ATOM 197 N LEU A 463 2.465 -6.149 0.425 1.00 0.00 N ATOM 198 CA LEU A 463 3.883 -5.941 0.695 1.00 0.00 C ATOM 199 C LEU A 463 4.572 -7.254 1.053 1.00 0.00 C ATOM 200 O LEU A 463 5.737 -7.465 0.719 1.00 0.00 O ATOM 201 CB LEU A 463 4.064 -4.929 1.827 1.00 0.00 C ATOM 202 CG LEU A 463 3.615 -3.504 1.498 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.426 -2.695 2.772 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.623 -2.828 0.581 1.00 0.00 C ATOM 0 H LEU A 463 1.839 -5.745 1.122 1.00 0.00 H new ATOM 0 HA LEU A 463 4.345 -5.549 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.508 -5.277 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.117 -4.906 2.109 1.00 0.00 H new ATOM 0 HG LEU A 463 2.657 -3.556 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.107 -1.684 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.667 -3.169 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.368 -2.651 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.289 -1.815 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.594 -2.789 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.709 -3.395 -0.346 1.00 0.00 H new ATOM 216 N THR A 464 3.844 -8.133 1.734 1.00 0.00 N ATOM 217 CA THR A 464 4.384 -9.422 2.137 1.00 0.00 C ATOM 218 C THR A 464 4.693 -10.289 0.920 1.00 0.00 C ATOM 219 O THR A 464 5.604 -11.117 0.950 1.00 0.00 O ATOM 220 CB THR A 464 3.395 -10.141 3.052 1.00 0.00 C ATOM 221 OG1 THR A 464 2.087 -10.096 2.510 1.00 0.00 O ATOM 222 CG2 THR A 464 3.335 -9.557 4.447 1.00 0.00 C ATOM 0 H THR A 464 2.877 -7.974 2.018 1.00 0.00 H new ATOM 0 HA THR A 464 5.314 -9.248 2.679 1.00 0.00 H new ATOM 0 HB THR A 464 3.759 -11.166 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.136 -9.885 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.613 -10.115 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.319 -9.623 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.030 -8.512 4.391 1.00 0.00 H new ATOM 230 N ARG A 465 3.929 -10.094 -0.150 1.00 0.00 N ATOM 231 CA ARG A 465 4.122 -10.859 -1.376 1.00 0.00 C ATOM 232 C ARG A 465 5.340 -10.360 -2.143 1.00 0.00 C ATOM 233 O ARG A 465 6.328 -11.078 -2.300 1.00 0.00 O ATOM 234 CB ARG A 465 2.877 -10.770 -2.260 1.00 0.00 C ATOM 235 CG ARG A 465 2.927 -11.680 -3.476 1.00 0.00 C ATOM 236 CD ARG A 465 2.760 -13.140 -3.086 1.00 0.00 C ATOM 237 NE ARG A 465 2.871 -14.031 -4.238 1.00 0.00 N ATOM 238 CZ ARG A 465 4.028 -14.394 -4.786 1.00 0.00 C ATOM 239 NH1 ARG A 465 5.175 -13.947 -4.289 1.00 0.00 N ATOM 240 NH2 ARG A 465 4.040 -15.208 -5.832 1.00 0.00 N ATOM 0 H ARG A 465 3.171 -9.413 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 465 4.290 -11.900 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.000 -11.022 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 465 2.751 -9.740 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.141 -11.397 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 465 3.877 -11.547 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 465 3.516 -13.407 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.788 -13.280 -2.612 1.00 0.00 H new ATOM 0 HE ARG A 465 2.011 -14.397 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 465 5.172 -13.322 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 465 6.059 -14.229 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 465 3.162 -15.556 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 465 4.927 -15.486 -6.252 1.00 0.00 H new ATOM 254 N LYS A 466 5.260 -9.124 -2.615 1.00 0.00 N ATOM 255 CA LYS A 466 6.353 -8.518 -3.366 1.00 0.00 C ATOM 256 C LYS A 466 6.439 -7.018 -3.088 1.00 0.00 C ATOM 257 O LYS A 466 5.417 -6.349 -2.941 1.00 0.00 O ATOM 258 CB LYS A 466 6.164 -8.760 -4.865 1.00 0.00 C ATOM 259 CG LYS A 466 7.400 -8.449 -5.693 1.00 0.00 C ATOM 260 CD LYS A 466 7.165 -8.724 -7.169 1.00 0.00 C ATOM 261 CE LYS A 466 8.399 -9.320 -7.827 1.00 0.00 C ATOM 262 NZ LYS A 466 8.194 -9.552 -9.284 1.00 0.00 N ATOM 0 H LYS A 466 4.448 -8.519 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 466 7.285 -8.983 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.883 -9.801 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 466 5.335 -8.149 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 466 7.677 -7.404 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 466 8.237 -9.050 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.324 -9.408 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 466 6.893 -7.797 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 466 9.247 -8.651 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 466 8.650 -10.263 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 9.058 -9.959 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 7.401 -10.211 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 7.980 -8.649 -9.753 1.00 0.00 H new ATOM 276 N PRO A 467 7.664 -6.467 -3.012 1.00 0.00 N ATOM 277 CA PRO A 467 7.869 -5.037 -2.751 1.00 0.00 C ATOM 278 C PRO A 467 7.119 -4.157 -3.745 1.00 0.00 C ATOM 279 O PRO A 467 7.159 -4.393 -4.952 1.00 0.00 O ATOM 280 CB PRO A 467 9.381 -4.854 -2.913 1.00 0.00 C ATOM 281 CG PRO A 467 9.958 -6.205 -2.668 1.00 0.00 C ATOM 282 CD PRO A 467 8.940 -7.187 -3.175 1.00 0.00 C ATOM 0 HA PRO A 467 7.496 -4.746 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.631 -4.493 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.769 -4.124 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 467 10.908 -6.324 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.154 -6.359 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.122 -7.453 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 467 8.955 -8.114 -2.602 1.00 0.00 H new ATOM 290 N MET A 468 6.433 -3.141 -3.229 1.00 0.00 N ATOM 291 CA MET A 468 5.674 -2.226 -4.074 1.00 0.00 C ATOM 292 C MET A 468 5.942 -0.775 -3.687 1.00 0.00 C ATOM 293 O MET A 468 6.239 -0.475 -2.530 1.00 0.00 O ATOM 294 CB MET A 468 4.178 -2.526 -3.969 1.00 0.00 C ATOM 295 CG MET A 468 3.799 -3.913 -4.460 1.00 0.00 C ATOM 296 SD MET A 468 2.015 -4.167 -4.515 1.00 0.00 S ATOM 297 CE MET A 468 1.571 -3.146 -5.918 1.00 0.00 C ATOM 0 H MET A 468 6.387 -2.931 -2.232 1.00 0.00 H new ATOM 0 HA MET A 468 5.997 -2.372 -5.105 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.867 -2.420 -2.930 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.626 -1.783 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.215 -4.068 -5.456 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.249 -4.661 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.824 -3.662 -6.521 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.161 -2.200 -5.564 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.457 -2.954 -6.523 1.00 0.00 H new ATOM 307 N THR A 469 5.832 0.121 -4.662 1.00 0.00 N ATOM 308 CA THR A 469 6.059 1.542 -4.424 1.00 0.00 C ATOM 309 C THR A 469 4.753 2.249 -4.078 1.00 0.00 C ATOM 310 O THR A 469 3.673 1.670 -4.195 1.00 0.00 O ATOM 311 CB THR A 469 6.695 2.192 -5.654 1.00 0.00 C ATOM 312 OG1 THR A 469 5.780 2.219 -6.736 1.00 0.00 O ATOM 313 CG2 THR A 469 7.945 1.482 -6.128 1.00 0.00 C ATOM 0 H THR A 469 5.587 -0.111 -5.624 1.00 0.00 H new ATOM 0 HA THR A 469 6.740 1.640 -3.579 1.00 0.00 H new ATOM 0 HB THR A 469 6.966 3.200 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.204 2.640 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 469 8.345 1.994 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.690 1.487 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.701 0.453 -6.390 1.00 0.00 H new ATOM 321 N THR A 470 4.858 3.504 -3.652 1.00 0.00 N ATOM 322 CA THR A 470 3.683 4.289 -3.289 1.00 0.00 C ATOM 323 C THR A 470 2.705 4.380 -4.456 1.00 0.00 C ATOM 324 O THR A 470 1.505 4.159 -4.293 1.00 0.00 O ATOM 325 CB THR A 470 4.099 5.693 -2.848 1.00 0.00 C ATOM 326 OG1 THR A 470 4.833 6.343 -3.871 1.00 0.00 O ATOM 327 CG2 THR A 470 4.949 5.700 -1.596 1.00 0.00 C ATOM 0 H THR A 470 5.744 3.999 -3.550 1.00 0.00 H new ATOM 0 HA THR A 470 3.185 3.787 -2.460 1.00 0.00 H new ATOM 0 HB THR A 470 3.167 6.218 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.089 7.240 -3.571 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.209 6.727 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.391 5.250 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.860 5.128 -1.772 1.00 0.00 H new ATOM 335 N LYS A 471 3.227 4.704 -5.635 1.00 0.00 N ATOM 336 CA LYS A 471 2.400 4.823 -6.830 1.00 0.00 C ATOM 337 C LYS A 471 1.751 3.487 -7.178 1.00 0.00 C ATOM 338 O LYS A 471 0.601 3.439 -7.615 1.00 0.00 O ATOM 339 CB LYS A 471 3.239 5.318 -8.009 1.00 0.00 C ATOM 340 CG LYS A 471 2.425 5.594 -9.262 1.00 0.00 C ATOM 341 CD LYS A 471 3.312 6.018 -10.421 1.00 0.00 C ATOM 342 CE LYS A 471 2.488 6.429 -11.631 1.00 0.00 C ATOM 343 NZ LYS A 471 3.106 7.570 -12.362 1.00 0.00 N ATOM 0 H LYS A 471 4.218 4.889 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 471 1.611 5.547 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.760 6.230 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 471 4.002 4.575 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.866 4.700 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.694 6.376 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.945 6.849 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.975 5.197 -10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 471 2.385 5.579 -12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 471 1.484 6.705 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.514 7.820 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.182 8.390 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.054 7.299 -12.691 1.00 0.00 H new ATOM 357 N ASP A 472 2.497 2.405 -6.982 1.00 0.00 N ATOM 358 CA ASP A 472 1.997 1.067 -7.275 1.00 0.00 C ATOM 359 C ASP A 472 0.750 0.757 -6.453 1.00 0.00 C ATOM 360 O ASP A 472 -0.145 0.045 -6.909 1.00 0.00 O ATOM 361 CB ASP A 472 3.078 0.022 -6.994 1.00 0.00 C ATOM 362 CG ASP A 472 4.258 0.141 -7.940 1.00 0.00 C ATOM 363 OD1 ASP A 472 4.117 0.810 -8.985 1.00 0.00 O ATOM 364 OD2 ASP A 472 5.323 -0.436 -7.635 1.00 0.00 O ATOM 0 H ASP A 472 3.451 2.429 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 472 1.731 1.031 -8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.427 0.131 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.646 -0.975 -7.080 1.00 0.00 H new ATOM 369 N LEU A 473 0.698 1.295 -5.239 1.00 0.00 N ATOM 370 CA LEU A 473 -0.440 1.075 -4.352 1.00 0.00 C ATOM 371 C LEU A 473 -1.740 1.529 -5.007 1.00 0.00 C ATOM 372 O LEU A 473 -2.770 0.866 -4.890 1.00 0.00 O ATOM 373 CB LEU A 473 -0.234 1.819 -3.031 1.00 0.00 C ATOM 374 CG LEU A 473 1.022 1.424 -2.253 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.086 2.168 -0.929 1.00 0.00 C ATOM 376 CD2 LEU A 473 1.056 -0.079 -2.025 1.00 0.00 C ATOM 0 H LEU A 473 1.430 1.887 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.511 0.006 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.194 2.889 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.104 1.649 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 473 1.895 1.702 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.986 1.874 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.109 3.242 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.208 1.923 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.956 -0.343 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 473 0.177 -0.381 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 473 1.059 -0.593 -2.986 1.00 0.00 H new ATOM 388 N LEU A 474 -1.685 2.663 -5.698 1.00 0.00 N ATOM 389 CA LEU A 474 -2.860 3.204 -6.372 1.00 0.00 C ATOM 390 C LEU A 474 -3.335 2.264 -7.475 1.00 0.00 C ATOM 391 O LEU A 474 -4.536 2.115 -7.702 1.00 0.00 O ATOM 392 CB LEU A 474 -2.548 4.583 -6.959 1.00 0.00 C ATOM 393 CG LEU A 474 -2.106 5.635 -5.940 1.00 0.00 C ATOM 394 CD1 LEU A 474 -1.898 6.980 -6.619 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.129 5.754 -4.820 1.00 0.00 C ATOM 0 H LEU A 474 -0.840 3.225 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.657 3.303 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -1.764 4.473 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.434 4.950 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.157 5.319 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.584 7.716 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.129 6.885 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.832 7.304 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.799 6.507 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.092 6.048 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.230 4.793 -4.316 1.00 0.00 H new ATOM 407 N LYS A 475 -2.385 1.633 -8.157 1.00 0.00 N ATOM 408 CA LYS A 475 -2.706 0.707 -9.237 1.00 0.00 C ATOM 409 C LYS A 475 -3.556 -0.452 -8.728 1.00 0.00 C ATOM 410 O LYS A 475 -4.407 -0.974 -9.449 1.00 0.00 O ATOM 411 CB LYS A 475 -1.422 0.172 -9.875 1.00 0.00 C ATOM 412 CG LYS A 475 -1.667 -0.687 -11.105 1.00 0.00 C ATOM 413 CD LYS A 475 -0.366 -1.235 -11.669 1.00 0.00 C ATOM 414 CE LYS A 475 -0.591 -1.964 -12.984 1.00 0.00 C ATOM 415 NZ LYS A 475 0.518 -1.727 -13.948 1.00 0.00 N ATOM 0 H LYS A 475 -1.387 1.746 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.279 1.250 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -0.785 1.013 -10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -0.875 -0.414 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.330 -1.513 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.175 -0.097 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 475 0.339 -0.417 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 475 0.086 -1.915 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.685 -3.033 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.532 -1.635 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 0.326 -2.241 -14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 0.592 -0.709 -14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 1.412 -2.065 -13.538 1.00 0.00 H new ATOM 429 N LYS A 476 -3.317 -0.853 -7.484 1.00 0.00 N ATOM 430 CA LYS A 476 -4.060 -1.953 -6.880 1.00 0.00 C ATOM 431 C LYS A 476 -5.260 -1.440 -6.088 1.00 0.00 C ATOM 432 O LYS A 476 -6.238 -2.162 -5.892 1.00 0.00 O ATOM 433 CB LYS A 476 -3.145 -2.771 -5.966 1.00 0.00 C ATOM 434 CG LYS A 476 -1.900 -3.295 -6.664 1.00 0.00 C ATOM 435 CD LYS A 476 -2.254 -4.258 -7.786 1.00 0.00 C ATOM 436 CE LYS A 476 -1.011 -4.892 -8.388 1.00 0.00 C ATOM 437 NZ LYS A 476 -1.297 -6.234 -8.967 1.00 0.00 N ATOM 0 H LYS A 476 -2.615 -0.433 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.428 -2.590 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.844 -2.153 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.707 -3.613 -5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.329 -2.459 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.260 -3.798 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.913 -5.038 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.805 -3.727 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -0.610 -4.240 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.242 -4.984 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -0.424 -6.633 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -1.655 -6.864 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -2.012 -6.143 -9.717 1.00 0.00 H new ATOM 451 N PHE A 477 -5.179 -0.194 -5.631 1.00 0.00 N ATOM 452 CA PHE A 477 -6.261 0.406 -4.857 1.00 0.00 C ATOM 453 C PHE A 477 -7.171 1.257 -5.741 1.00 0.00 C ATOM 454 O PHE A 477 -7.904 2.113 -5.245 1.00 0.00 O ATOM 455 CB PHE A 477 -5.690 1.260 -3.724 1.00 0.00 C ATOM 456 CG PHE A 477 -5.265 0.460 -2.525 1.00 0.00 C ATOM 457 CD1 PHE A 477 -4.258 -0.486 -2.628 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.873 0.656 -1.295 1.00 0.00 C ATOM 459 CE1 PHE A 477 -3.865 -1.223 -1.527 1.00 0.00 C ATOM 460 CE2 PHE A 477 -5.484 -0.078 -0.190 1.00 0.00 C ATOM 461 CZ PHE A 477 -4.479 -1.019 -0.307 1.00 0.00 C ATOM 0 H PHE A 477 -4.378 0.419 -5.783 1.00 0.00 H new ATOM 0 HA PHE A 477 -6.857 -0.403 -4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -4.834 1.821 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.439 1.990 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -3.775 -0.649 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -6.659 1.390 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -3.079 -1.957 -1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.965 0.084 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.174 -1.594 0.555 1.00 0.00 H new ATOM 471 N GLN A 478 -7.124 1.018 -7.048 1.00 0.00 N ATOM 472 CA GLN A 478 -7.950 1.766 -7.990 1.00 0.00 C ATOM 473 C GLN A 478 -9.000 0.865 -8.632 1.00 0.00 C ATOM 474 O GLN A 478 -10.088 1.319 -8.986 1.00 0.00 O ATOM 475 CB GLN A 478 -7.079 2.406 -9.073 1.00 0.00 C ATOM 476 CG GLN A 478 -6.324 1.396 -9.922 1.00 0.00 C ATOM 477 CD GLN A 478 -5.662 2.030 -11.130 1.00 0.00 C ATOM 478 OE1 GLN A 478 -4.632 2.694 -11.011 1.00 0.00 O ATOM 479 NE2 GLN A 478 -6.252 1.828 -12.302 1.00 0.00 N ATOM 0 H GLN A 478 -6.524 0.314 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.463 2.552 -7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.709 3.015 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -6.363 3.079 -8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -5.565 0.908 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.013 0.620 -10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -7.105 1.271 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -5.853 2.230 -13.150 1.00 0.00 H new ATOM 488 N THR A 479 -8.667 -0.414 -8.780 1.00 0.00 N ATOM 489 CA THR A 479 -9.583 -1.377 -9.380 1.00 0.00 C ATOM 490 C THR A 479 -10.298 -2.194 -8.307 1.00 0.00 C ATOM 491 O THR A 479 -10.707 -3.329 -8.548 1.00 0.00 O ATOM 492 CB THR A 479 -8.827 -2.310 -10.326 1.00 0.00 C ATOM 493 OG1 THR A 479 -7.917 -3.123 -9.607 1.00 0.00 O ATOM 494 CG2 THR A 479 -8.042 -1.574 -11.391 1.00 0.00 C ATOM 0 H THR A 479 -7.770 -0.807 -8.493 1.00 0.00 H new ATOM 0 HA THR A 479 -10.331 -0.822 -9.947 1.00 0.00 H new ATOM 0 HB THR A 479 -9.594 -2.912 -10.813 1.00 0.00 H new ATOM 0 HG1 THR A 479 -7.444 -3.714 -10.229 1.00 0.00 H new ATOM 0 HG21 THR A 479 -7.529 -2.295 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 479 -8.723 -0.975 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 479 -7.308 -0.922 -10.917 1.00 0.00 H new ATOM 502 N LYS A 480 -10.447 -1.609 -7.122 1.00 0.00 N ATOM 503 CA LYS A 480 -11.113 -2.285 -6.015 1.00 0.00 C ATOM 504 C LYS A 480 -12.589 -1.905 -5.955 1.00 0.00 C ATOM 505 O LYS A 480 -13.013 -0.924 -6.566 1.00 0.00 O ATOM 506 CB LYS A 480 -10.430 -1.937 -4.691 1.00 0.00 C ATOM 507 CG LYS A 480 -9.016 -2.481 -4.575 1.00 0.00 C ATOM 508 CD LYS A 480 -8.437 -2.238 -3.190 1.00 0.00 C ATOM 509 CE LYS A 480 -7.002 -2.729 -3.092 1.00 0.00 C ATOM 510 NZ LYS A 480 -6.728 -3.384 -1.783 1.00 0.00 N ATOM 0 H LYS A 480 -10.116 -0.669 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.039 -3.360 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.404 -0.853 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.029 -2.328 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -9.018 -3.550 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -8.381 -2.008 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.475 -1.173 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -9.048 -2.747 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -6.803 -3.434 -3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -6.321 -1.889 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -6.067 -2.798 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -7.618 -3.491 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -6.307 -4.321 -1.945 1.00 0.00 H new ATOM 524 N LYS A 481 -13.367 -2.687 -5.214 1.00 0.00 N ATOM 525 CA LYS A 481 -14.796 -2.433 -5.074 1.00 0.00 C ATOM 526 C LYS A 481 -15.093 -1.679 -3.781 1.00 0.00 C ATOM 527 O LYS A 481 -16.177 -1.806 -3.213 1.00 0.00 O ATOM 528 CB LYS A 481 -15.574 -3.750 -5.099 1.00 0.00 C ATOM 529 CG LYS A 481 -15.240 -4.676 -3.940 1.00 0.00 C ATOM 530 CD LYS A 481 -14.287 -5.781 -4.365 1.00 0.00 C ATOM 531 CE LYS A 481 -13.627 -6.439 -3.164 1.00 0.00 C ATOM 532 NZ LYS A 481 -13.006 -7.745 -3.518 1.00 0.00 N ATOM 0 H LYS A 481 -13.032 -3.502 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.112 -1.815 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.642 -3.532 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.368 -4.266 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -14.792 -4.100 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.157 -5.116 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -14.831 -6.531 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -13.521 -5.370 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -12.865 -5.773 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -14.369 -6.590 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -12.567 -8.161 -2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -13.737 -8.390 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -12.280 -7.598 -4.248 1.00 0.00 H new ATOM 546 N THR A 482 -14.124 -0.893 -3.322 1.00 0.00 N ATOM 547 CA THR A 482 -14.285 -0.119 -2.097 1.00 0.00 C ATOM 548 C THR A 482 -15.303 1.000 -2.290 1.00 0.00 C ATOM 549 O THR A 482 -15.998 1.390 -1.352 1.00 0.00 O ATOM 550 CB THR A 482 -12.942 0.467 -1.658 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.481 1.421 -2.598 1.00 0.00 O ATOM 552 CG2 THR A 482 -11.859 -0.577 -1.494 1.00 0.00 C ATOM 0 H THR A 482 -13.220 -0.776 -3.780 1.00 0.00 H new ATOM 0 HA THR A 482 -14.652 -0.789 -1.320 1.00 0.00 H new ATOM 0 HB THR A 482 -13.130 0.927 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.622 1.786 -2.299 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.933 -0.095 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.163 -1.302 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.699 -1.088 -2.443 1.00 0.00 H new ATOM 560 N GLY A 483 -15.385 1.514 -3.513 1.00 0.00 N ATOM 561 CA GLY A 483 -16.321 2.583 -3.807 1.00 0.00 C ATOM 562 C GLY A 483 -15.852 3.927 -3.282 1.00 0.00 C ATOM 563 O GLY A 483 -16.664 4.812 -3.012 1.00 0.00 O ATOM 0 H GLY A 483 -14.820 1.209 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -16.466 2.648 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.290 2.344 -3.369 1.00 0.00 H new ATOM 567 N LEU A 484 -14.540 4.079 -3.136 1.00 0.00 N ATOM 568 CA LEU A 484 -13.965 5.324 -2.639 1.00 0.00 C ATOM 569 C LEU A 484 -13.270 6.088 -3.761 1.00 0.00 C ATOM 570 O LEU A 484 -12.673 5.490 -4.656 1.00 0.00 O ATOM 571 CB LEU A 484 -12.973 5.038 -1.510 1.00 0.00 C ATOM 572 CG LEU A 484 -13.534 4.222 -0.344 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.427 3.855 0.631 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.636 4.995 0.365 1.00 0.00 C ATOM 0 H LEU A 484 -13.855 3.356 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.776 5.941 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.117 4.507 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.603 5.988 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 484 -13.961 3.301 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -12.845 3.275 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.671 3.262 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -11.971 4.764 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.024 4.400 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.233 5.932 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.441 5.208 -0.338 1.00 0.00 H new ATOM 586 N SER A 485 -13.352 7.414 -3.706 1.00 0.00 N ATOM 587 CA SER A 485 -12.730 8.261 -4.717 1.00 0.00 C ATOM 588 C SER A 485 -11.211 8.130 -4.675 1.00 0.00 C ATOM 589 O SER A 485 -10.639 7.739 -3.658 1.00 0.00 O ATOM 590 CB SER A 485 -13.134 9.721 -4.508 1.00 0.00 C ATOM 591 OG SER A 485 -12.651 10.540 -5.559 1.00 0.00 O ATOM 0 H SER A 485 -13.843 7.925 -2.972 1.00 0.00 H new ATOM 0 HA SER A 485 -13.078 7.932 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 485 -14.220 9.797 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.742 10.077 -3.556 1.00 0.00 H new ATOM 0 HG SER A 485 -12.924 11.468 -5.403 1.00 0.00 H new ATOM 597 N SER A 486 -10.562 8.460 -5.788 1.00 0.00 N ATOM 598 CA SER A 486 -9.109 8.379 -5.878 1.00 0.00 C ATOM 599 C SER A 486 -8.446 9.247 -4.813 1.00 0.00 C ATOM 600 O SER A 486 -7.436 8.863 -4.225 1.00 0.00 O ATOM 601 CB SER A 486 -8.639 8.811 -7.268 1.00 0.00 C ATOM 602 OG SER A 486 -7.251 8.578 -7.433 1.00 0.00 O ATOM 0 H SER A 486 -11.020 8.786 -6.639 1.00 0.00 H new ATOM 0 HA SER A 486 -8.818 7.342 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 486 -9.196 8.265 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.853 9.870 -7.415 1.00 0.00 H new ATOM 0 HG SER A 486 -6.976 8.861 -8.330 1.00 0.00 H new ATOM 608 N GLU A 487 -9.023 10.419 -4.569 1.00 0.00 N ATOM 609 CA GLU A 487 -8.488 11.342 -3.574 1.00 0.00 C ATOM 610 C GLU A 487 -8.608 10.756 -2.170 1.00 0.00 C ATOM 611 O GLU A 487 -7.682 10.856 -1.365 1.00 0.00 O ATOM 612 CB GLU A 487 -9.222 12.682 -3.644 1.00 0.00 C ATOM 613 CG GLU A 487 -8.635 13.746 -2.730 1.00 0.00 C ATOM 614 CD GLU A 487 -9.433 15.036 -2.744 1.00 0.00 C ATOM 615 OE1 GLU A 487 -10.469 15.087 -3.441 1.00 0.00 O ATOM 616 OE2 GLU A 487 -9.022 15.995 -2.059 1.00 0.00 O ATOM 0 H GLU A 487 -9.861 10.752 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.432 11.502 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -9.200 13.045 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.269 12.527 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.593 13.361 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.609 13.955 -3.034 1.00 0.00 H new ATOM 623 N GLN A 488 -9.753 10.147 -1.884 1.00 0.00 N ATOM 624 CA GLN A 488 -9.994 9.545 -0.578 1.00 0.00 C ATOM 625 C GLN A 488 -9.037 8.384 -0.328 1.00 0.00 C ATOM 626 O GLN A 488 -8.561 8.188 0.790 1.00 0.00 O ATOM 627 CB GLN A 488 -11.440 9.059 -0.475 1.00 0.00 C ATOM 628 CG GLN A 488 -12.465 10.179 -0.549 1.00 0.00 C ATOM 629 CD GLN A 488 -13.882 9.688 -0.324 1.00 0.00 C ATOM 630 OE1 GLN A 488 -14.287 9.424 0.807 1.00 0.00 O ATOM 631 NE2 GLN A 488 -14.644 9.564 -1.405 1.00 0.00 N ATOM 0 H GLN A 488 -10.529 10.057 -2.539 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.819 10.307 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.633 8.347 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.568 8.522 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -12.224 10.937 0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.402 10.661 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -14.267 9.794 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -15.607 9.238 -1.316 1.00 0.00 H new ATOM 640 N THR A 489 -8.760 7.616 -1.377 1.00 0.00 N ATOM 641 CA THR A 489 -7.860 6.473 -1.271 1.00 0.00 C ATOM 642 C THR A 489 -6.471 6.913 -0.821 1.00 0.00 C ATOM 643 O THR A 489 -5.840 6.258 0.009 1.00 0.00 O ATOM 644 CB THR A 489 -7.767 5.745 -2.613 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.055 5.372 -3.071 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.919 4.493 -2.557 1.00 0.00 C ATOM 0 H THR A 489 -9.146 7.764 -2.310 1.00 0.00 H new ATOM 0 HA THR A 489 -8.265 5.792 -0.523 1.00 0.00 H new ATOM 0 HB THR A 489 -7.295 6.453 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.552 6.173 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.895 4.025 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.905 4.754 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.345 3.797 -1.835 1.00 0.00 H new ATOM 654 N VAL A 490 -5.999 8.026 -1.374 1.00 0.00 N ATOM 655 CA VAL A 490 -4.684 8.552 -1.030 1.00 0.00 C ATOM 656 C VAL A 490 -4.629 8.972 0.436 1.00 0.00 C ATOM 657 O VAL A 490 -3.683 8.642 1.151 1.00 0.00 O ATOM 658 CB VAL A 490 -4.312 9.758 -1.914 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.885 10.209 -1.635 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.492 9.418 -3.386 1.00 0.00 C ATOM 0 H VAL A 490 -6.508 8.581 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.966 7.751 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.982 10.582 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.642 11.061 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.793 10.498 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -2.197 9.391 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -4.224 10.282 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.849 8.577 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.532 9.151 -3.573 1.00 0.00 H new ATOM 670 N ASN A 491 -5.649 9.703 0.875 1.00 0.00 N ATOM 671 CA ASN A 491 -5.716 10.168 2.256 1.00 0.00 C ATOM 672 C ASN A 491 -5.740 8.992 3.226 1.00 0.00 C ATOM 673 O ASN A 491 -5.058 9.005 4.251 1.00 0.00 O ATOM 674 CB ASN A 491 -6.955 11.040 2.462 1.00 0.00 C ATOM 675 CG ASN A 491 -6.922 11.790 3.780 1.00 0.00 C ATOM 676 OD1 ASN A 491 -6.047 12.624 4.010 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.878 11.495 4.653 1.00 0.00 N ATOM 0 H ASN A 491 -6.439 9.986 0.295 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.824 10.762 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.033 11.754 1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.847 10.414 2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.907 11.967 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.584 10.796 4.420 1.00 0.00 H new ATOM 684 N VAL A 492 -6.530 7.975 2.896 1.00 0.00 N ATOM 685 CA VAL A 492 -6.644 6.791 3.739 1.00 0.00 C ATOM 686 C VAL A 492 -5.343 5.994 3.743 1.00 0.00 C ATOM 687 O VAL A 492 -4.893 5.527 4.789 1.00 0.00 O ATOM 688 CB VAL A 492 -7.793 5.877 3.271 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.977 4.711 4.231 1.00 0.00 C ATOM 690 CG2 VAL A 492 -9.083 6.670 3.131 1.00 0.00 C ATOM 0 H VAL A 492 -7.100 7.947 2.051 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.857 7.140 4.750 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.533 5.473 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.793 4.078 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.058 4.127 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.212 5.092 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.883 6.008 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -9.348 7.106 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.944 7.465 2.399 1.00 0.00 H new ATOM 700 N LEU A 493 -4.744 5.844 2.566 1.00 0.00 N ATOM 701 CA LEU A 493 -3.495 5.103 2.434 1.00 0.00 C ATOM 702 C LEU A 493 -2.391 5.741 3.272 1.00 0.00 C ATOM 703 O LEU A 493 -1.617 5.046 3.929 1.00 0.00 O ATOM 704 CB LEU A 493 -3.065 5.041 0.967 1.00 0.00 C ATOM 705 CG LEU A 493 -3.811 4.012 0.117 1.00 0.00 C ATOM 706 CD1 LEU A 493 -3.741 4.386 -1.356 1.00 0.00 C ATOM 707 CD2 LEU A 493 -3.240 2.621 0.343 1.00 0.00 C ATOM 0 H LEU A 493 -5.103 6.225 1.691 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.664 4.090 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.203 6.026 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.999 4.819 0.926 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.858 4.007 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -4.277 3.643 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -4.197 5.365 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.699 4.419 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.783 1.901 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.186 2.611 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -3.342 2.352 1.394 1.00 0.00 H new ATOM 719 N ALA A 494 -2.325 7.067 3.244 1.00 0.00 N ATOM 720 CA ALA A 494 -1.314 7.797 4.000 1.00 0.00 C ATOM 721 C ALA A 494 -1.453 7.538 5.495 1.00 0.00 C ATOM 722 O ALA A 494 -0.459 7.388 6.205 1.00 0.00 O ATOM 723 CB ALA A 494 -1.411 9.287 3.708 1.00 0.00 C ATOM 0 H ALA A 494 -2.959 7.658 2.706 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.333 7.440 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.651 9.820 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.253 9.460 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -2.399 9.650 3.992 1.00 0.00 H new ATOM 729 N GLN A 495 -2.693 7.489 5.966 1.00 0.00 N ATOM 730 CA GLN A 495 -2.966 7.248 7.378 1.00 0.00 C ATOM 731 C GLN A 495 -2.739 5.783 7.737 1.00 0.00 C ATOM 732 O GLN A 495 -2.124 5.471 8.756 1.00 0.00 O ATOM 733 CB GLN A 495 -4.402 7.652 7.717 1.00 0.00 C ATOM 734 CG GLN A 495 -4.665 9.142 7.570 1.00 0.00 C ATOM 735 CD GLN A 495 -6.102 9.513 7.878 1.00 0.00 C ATOM 736 OE1 GLN A 495 -6.981 8.652 7.927 1.00 0.00 O ATOM 737 NE2 GLN A 495 -6.349 10.801 8.089 1.00 0.00 N ATOM 0 H GLN A 495 -3.526 7.613 5.391 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.276 7.856 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -5.087 7.105 7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.623 7.352 8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -4.001 9.692 8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.424 9.451 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -5.590 11.481 8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -7.297 11.110 8.302 1.00 0.00 H new ATOM 746 N ILE A 496 -3.243 4.888 6.894 1.00 0.00 N ATOM 747 CA ILE A 496 -3.097 3.456 7.123 1.00 0.00 C ATOM 748 C ILE A 496 -1.640 3.025 6.982 1.00 0.00 C ATOM 749 O ILE A 496 -1.125 2.254 7.791 1.00 0.00 O ATOM 750 CB ILE A 496 -3.986 2.642 6.151 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.446 1.344 6.814 1.00 0.00 C ATOM 752 CG2 ILE A 496 -3.263 2.346 4.841 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.856 0.941 6.441 1.00 0.00 C ATOM 0 H ILE A 496 -3.756 5.129 6.046 1.00 0.00 H new ATOM 0 HA ILE A 496 -3.423 3.253 8.143 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.861 3.248 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.762 0.542 6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.383 1.456 7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.919 1.773 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.992 3.283 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -2.361 1.769 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -6.115 0.011 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.550 1.725 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.920 0.796 5.363 1.00 0.00 H new ATOM 765 N LEU A 497 -0.986 3.533 5.945 1.00 0.00 N ATOM 766 CA LEU A 497 0.412 3.209 5.685 1.00 0.00 C ATOM 767 C LEU A 497 1.315 3.765 6.782 1.00 0.00 C ATOM 768 O LEU A 497 2.341 3.172 7.114 1.00 0.00 O ATOM 769 CB LEU A 497 0.840 3.763 4.324 1.00 0.00 C ATOM 770 CG LEU A 497 0.150 3.122 3.119 1.00 0.00 C ATOM 771 CD1 LEU A 497 0.281 4.012 1.893 1.00 0.00 C ATOM 772 CD2 LEU A 497 0.731 1.743 2.844 1.00 0.00 C ATOM 0 H LEU A 497 -1.402 4.173 5.268 1.00 0.00 H new ATOM 0 HA LEU A 497 0.512 2.124 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 497 0.645 4.835 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 497 1.917 3.633 4.218 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.910 3.009 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -0.216 3.540 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -0.183 4.978 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.336 4.157 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.228 1.301 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 497 1.797 1.832 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.584 1.106 3.716 1.00 0.00 H new ATOM 784 N LYS A 498 0.926 4.907 7.341 1.00 0.00 N ATOM 785 CA LYS A 498 1.701 5.541 8.401 1.00 0.00 C ATOM 786 C LYS A 498 1.856 4.606 9.596 1.00 0.00 C ATOM 787 O LYS A 498 2.964 4.387 10.087 1.00 0.00 O ATOM 788 CB LYS A 498 1.032 6.844 8.841 1.00 0.00 C ATOM 789 CG LYS A 498 1.816 7.605 9.898 1.00 0.00 C ATOM 790 CD LYS A 498 3.053 8.262 9.309 1.00 0.00 C ATOM 791 CE LYS A 498 3.773 9.118 10.338 1.00 0.00 C ATOM 792 NZ LYS A 498 5.241 9.164 10.094 1.00 0.00 N ATOM 0 H LYS A 498 0.080 5.411 7.078 1.00 0.00 H new ATOM 0 HA LYS A 498 2.693 5.765 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.896 7.485 7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 498 0.039 6.619 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.178 8.366 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.110 6.923 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 498 3.730 7.495 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.768 8.879 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 498 3.369 10.130 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 498 3.583 8.722 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 5.695 9.758 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.631 8.201 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.424 9.565 9.152 1.00 0.00 H new ATOM 806 N ARG A 499 0.739 4.055 10.059 1.00 0.00 N ATOM 807 CA ARG A 499 0.751 3.141 11.195 1.00 0.00 C ATOM 808 C ARG A 499 1.410 1.818 10.820 1.00 0.00 C ATOM 809 O ARG A 499 2.022 1.158 11.660 1.00 0.00 O ATOM 810 CB ARG A 499 -0.675 2.891 11.691 1.00 0.00 C ATOM 811 CG ARG A 499 -1.339 4.125 12.280 1.00 0.00 C ATOM 812 CD ARG A 499 -2.689 3.791 12.893 1.00 0.00 C ATOM 813 NE ARG A 499 -3.409 4.990 13.318 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.131 5.667 14.429 1.00 0.00 C ATOM 815 NH1 ARG A 499 -2.150 5.268 15.229 1.00 0.00 N ATOM 816 NH2 ARG A 499 -3.835 6.746 14.741 1.00 0.00 N ATOM 0 H ARG A 499 -0.186 4.226 9.665 1.00 0.00 H new ATOM 0 HA ARG A 499 1.331 3.602 11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.280 2.524 10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.656 2.104 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.691 4.561 13.040 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -1.468 4.877 11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.291 3.244 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.545 3.132 13.749 1.00 0.00 H new ATOM 0 HE ARG A 499 -4.169 5.328 12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -1.605 4.439 14.993 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -1.941 5.791 16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.590 7.057 14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -3.622 7.265 15.593 1.00 0.00 H new ATOM 830 N LEU A 500 1.281 1.437 9.553 1.00 0.00 N ATOM 831 CA LEU A 500 1.864 0.192 9.064 1.00 0.00 C ATOM 832 C LEU A 500 3.371 0.165 9.299 1.00 0.00 C ATOM 833 O LEU A 500 3.943 -0.880 9.606 1.00 0.00 O ATOM 834 CB LEU A 500 1.566 0.018 7.573 1.00 0.00 C ATOM 835 CG LEU A 500 2.001 -1.321 6.977 1.00 0.00 C ATOM 836 CD1 LEU A 500 0.900 -2.358 7.137 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.372 -1.156 5.511 1.00 0.00 C ATOM 0 H LEU A 500 0.778 1.973 8.846 1.00 0.00 H new ATOM 0 HA LEU A 500 1.415 -0.632 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 500 0.494 0.137 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.059 0.820 7.024 1.00 0.00 H new ATOM 0 HG LEU A 500 2.882 -1.669 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.227 -3.305 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.682 -2.496 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.001 -2.017 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.679 -2.119 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.510 -0.785 4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 500 3.193 -0.445 5.421 1.00 0.00 H new ATOM 849 N ASN A 501 4.006 1.323 9.152 1.00 0.00 N ATOM 850 CA ASN A 501 5.447 1.436 9.348 1.00 0.00 C ATOM 851 C ASN A 501 6.201 0.498 8.406 1.00 0.00 C ATOM 852 O ASN A 501 7.008 -0.321 8.845 1.00 0.00 O ATOM 853 CB ASN A 501 5.810 1.123 10.802 1.00 0.00 C ATOM 854 CG ASN A 501 5.740 2.349 11.691 1.00 0.00 C ATOM 855 OD1 ASN A 501 4.985 3.283 11.422 1.00 0.00 O ATOM 856 ND2 ASN A 501 6.531 2.352 12.758 1.00 0.00 N ATOM 0 H ASN A 501 3.545 2.197 8.898 1.00 0.00 H new ATOM 0 HA ASN A 501 5.741 2.460 9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.134 0.360 11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.816 0.706 10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 501 6.528 3.150 13.393 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.141 1.556 12.943 1.00 0.00 H new ATOM 863 N PRO A 502 5.947 0.609 7.091 1.00 0.00 N ATOM 864 CA PRO A 502 6.605 -0.232 6.086 1.00 0.00 C ATOM 865 C PRO A 502 8.081 0.112 5.921 1.00 0.00 C ATOM 866 O PRO A 502 8.503 1.234 6.201 1.00 0.00 O ATOM 867 CB PRO A 502 5.836 0.082 4.801 1.00 0.00 C ATOM 868 CG PRO A 502 5.291 1.452 5.011 1.00 0.00 C ATOM 869 CD PRO A 502 4.999 1.561 6.482 1.00 0.00 C ATOM 0 HA PRO A 502 6.587 -1.286 6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.490 0.045 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.037 -0.640 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.010 2.210 4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.387 1.607 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.157 2.575 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 502 3.965 1.298 6.707 1.00 0.00 H new ATOM 877 N GLU A 503 8.862 -0.861 5.463 1.00 0.00 N ATOM 878 CA GLU A 503 10.292 -0.662 5.259 1.00 0.00 C ATOM 879 C GLU A 503 10.569 -0.104 3.867 1.00 0.00 C ATOM 880 O GLU A 503 9.732 -0.206 2.969 1.00 0.00 O ATOM 881 CB GLU A 503 11.046 -1.979 5.452 1.00 0.00 C ATOM 882 CG GLU A 503 10.905 -2.561 6.849 1.00 0.00 C ATOM 883 CD GLU A 503 11.454 -1.641 7.922 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.231 -0.725 7.579 1.00 0.00 O ATOM 885 OE2 GLU A 503 11.107 -1.836 9.106 1.00 0.00 O ATOM 0 H GLU A 503 8.528 -1.795 5.226 1.00 0.00 H new ATOM 0 HA GLU A 503 10.642 0.059 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.682 -2.706 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.103 -1.818 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.853 -2.761 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 503 11.426 -3.517 6.894 1.00 0.00 H new ATOM 892 N ARG A 504 11.746 0.489 3.694 1.00 0.00 N ATOM 893 CA ARG A 504 12.130 1.064 2.410 1.00 0.00 C ATOM 894 C ARG A 504 13.312 0.313 1.807 1.00 0.00 C ATOM 895 O ARG A 504 14.263 -0.035 2.507 1.00 0.00 O ATOM 896 CB ARG A 504 12.483 2.543 2.576 1.00 0.00 C ATOM 897 CG ARG A 504 11.319 3.397 3.051 1.00 0.00 C ATOM 898 CD ARG A 504 11.180 3.357 4.564 1.00 0.00 C ATOM 899 NE ARG A 504 10.135 4.259 5.041 1.00 0.00 N ATOM 900 CZ ARG A 504 10.237 5.586 5.026 1.00 0.00 C ATOM 901 NH1 ARG A 504 11.335 6.169 4.560 1.00 0.00 N ATOM 902 NH2 ARG A 504 9.239 6.333 5.478 1.00 0.00 N ATOM 0 H ARG A 504 12.450 0.584 4.426 1.00 0.00 H new ATOM 0 HA ARG A 504 11.281 0.972 1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.304 2.634 3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.842 2.931 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 504 11.465 4.427 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 504 10.396 3.045 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 504 10.953 2.339 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.131 3.629 5.023 1.00 0.00 H new ATOM 0 HE ARG A 504 9.276 3.848 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.106 5.600 4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.408 7.186 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 504 8.393 5.891 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 504 9.317 7.350 5.466 1.00 0.00 H new ATOM 916 N LYS A 505 13.246 0.067 0.502 1.00 0.00 N ATOM 917 CA LYS A 505 14.311 -0.643 -0.198 1.00 0.00 C ATOM 918 C LYS A 505 14.720 0.106 -1.463 1.00 0.00 C ATOM 919 O LYS A 505 13.872 0.537 -2.243 1.00 0.00 O ATOM 920 CB LYS A 505 13.859 -2.061 -0.552 1.00 0.00 C ATOM 921 CG LYS A 505 14.288 -3.107 0.464 1.00 0.00 C ATOM 922 CD LYS A 505 13.390 -3.095 1.690 1.00 0.00 C ATOM 923 CE LYS A 505 13.749 -4.214 2.655 1.00 0.00 C ATOM 924 NZ LYS A 505 12.541 -4.816 3.282 1.00 0.00 N ATOM 0 H LYS A 505 12.466 0.349 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 505 15.175 -0.701 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.773 -2.076 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.262 -2.329 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.263 -4.095 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 505 15.319 -2.922 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 505 13.477 -2.134 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 505 12.350 -3.199 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.305 -4.986 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.406 -3.825 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 12.772 -5.136 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 11.783 -4.106 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 12.223 -5.627 2.714 1.00 0.00 H new ATOM 938 N MET A 506 16.026 0.256 -1.659 1.00 0.00 N ATOM 939 CA MET A 506 16.547 0.953 -2.829 1.00 0.00 C ATOM 940 C MET A 506 16.917 -0.035 -3.931 1.00 0.00 C ATOM 941 O MET A 506 17.983 -0.649 -3.895 1.00 0.00 O ATOM 942 CB MET A 506 17.769 1.790 -2.448 1.00 0.00 C ATOM 943 CG MET A 506 17.457 2.913 -1.472 1.00 0.00 C ATOM 944 SD MET A 506 18.865 4.005 -1.196 1.00 0.00 S ATOM 945 CE MET A 506 18.913 4.894 -2.750 1.00 0.00 C ATOM 0 H MET A 506 16.742 -0.095 -1.023 1.00 0.00 H new ATOM 0 HA MET A 506 15.766 1.613 -3.205 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.523 1.137 -2.009 1.00 0.00 H new ATOM 0 HB3 MET A 506 18.203 2.216 -3.352 1.00 0.00 H new ATOM 0 HG2 MET A 506 16.619 3.497 -1.852 1.00 0.00 H new ATOM 0 HG3 MET A 506 17.142 2.485 -0.520 1.00 0.00 H new ATOM 0 HE1 MET A 506 19.544 5.777 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 506 19.320 4.247 -3.527 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.904 5.200 -3.025 1.00 0.00 H new ATOM 955 N ILE A 507 16.030 -0.181 -4.910 1.00 0.00 N ATOM 956 CA ILE A 507 16.263 -1.093 -6.023 1.00 0.00 C ATOM 957 C ILE A 507 16.183 -0.360 -7.358 1.00 0.00 C ATOM 958 O ILE A 507 15.166 0.256 -7.679 1.00 0.00 O ATOM 959 CB ILE A 507 15.246 -2.251 -6.023 1.00 0.00 C ATOM 960 CG1 ILE A 507 15.200 -2.919 -4.647 1.00 0.00 C ATOM 961 CG2 ILE A 507 15.599 -3.269 -7.098 1.00 0.00 C ATOM 962 CD1 ILE A 507 14.141 -3.992 -4.531 1.00 0.00 C ATOM 0 H ILE A 507 15.143 0.321 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 507 17.266 -1.501 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 507 14.259 -1.845 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 507 16.175 -3.357 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 507 15.019 -2.158 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 507 14.871 -4.080 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 507 15.586 -2.786 -8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 507 16.594 -3.671 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 507 14.166 -4.422 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 507 13.159 -3.555 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 507 14.333 -4.774 -5.266 1.00 0.00 H new ATOM 974 N ASN A 508 17.261 -0.432 -8.133 1.00 0.00 N ATOM 975 CA ASN A 508 17.312 0.224 -9.435 1.00 0.00 C ATOM 976 C ASN A 508 17.047 1.722 -9.302 1.00 0.00 C ATOM 977 O ASN A 508 16.307 2.305 -10.095 1.00 0.00 O ATOM 978 CB ASN A 508 16.293 -0.405 -10.387 1.00 0.00 C ATOM 979 CG ASN A 508 16.587 -0.089 -11.840 1.00 0.00 C ATOM 980 OD1 ASN A 508 17.559 0.599 -12.154 1.00 0.00 O ATOM 981 ND2 ASN A 508 15.746 -0.590 -12.737 1.00 0.00 N ATOM 0 H ASN A 508 18.110 -0.938 -7.882 1.00 0.00 H new ATOM 0 HA ASN A 508 18.313 0.087 -9.844 1.00 0.00 H new ATOM 0 HB2 ASN A 508 16.288 -1.486 -10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.295 -0.047 -10.135 1.00 0.00 H new ATOM 0 HD21 ASN A 508 15.893 -0.410 -13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.953 -1.155 -12.433 1.00 0.00 H new ATOM 988 N ASP A 509 17.656 2.338 -8.295 1.00 0.00 N ATOM 989 CA ASP A 509 17.486 3.766 -8.057 1.00 0.00 C ATOM 990 C ASP A 509 16.020 4.105 -7.806 1.00 0.00 C ATOM 991 O ASP A 509 15.559 5.198 -8.134 1.00 0.00 O ATOM 992 CB ASP A 509 18.009 4.569 -9.249 1.00 0.00 C ATOM 993 CG ASP A 509 18.030 6.060 -8.979 1.00 0.00 C ATOM 994 OD1 ASP A 509 19.007 6.539 -8.365 1.00 0.00 O ATOM 995 OD2 ASP A 509 17.069 6.750 -9.380 1.00 0.00 O ATOM 0 H ASP A 509 18.272 1.870 -7.630 1.00 0.00 H new ATOM 0 HA ASP A 509 18.059 4.031 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 509 19.016 4.233 -9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.385 4.369 -10.120 1.00 0.00 H new ATOM 1000 N LYS A 510 15.291 3.159 -7.221 1.00 0.00 N ATOM 1001 CA LYS A 510 13.877 3.357 -6.924 1.00 0.00 C ATOM 1002 C LYS A 510 13.550 2.900 -5.506 1.00 0.00 C ATOM 1003 O LYS A 510 14.165 1.969 -4.986 1.00 0.00 O ATOM 1004 CB LYS A 510 13.012 2.594 -7.930 1.00 0.00 C ATOM 1005 CG LYS A 510 13.154 3.096 -9.357 1.00 0.00 C ATOM 1006 CD LYS A 510 12.126 2.458 -10.277 1.00 0.00 C ATOM 1007 CE LYS A 510 12.397 0.975 -10.473 1.00 0.00 C ATOM 1008 NZ LYS A 510 13.123 0.706 -11.745 1.00 0.00 N ATOM 0 H LYS A 510 15.657 2.248 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 510 13.660 4.422 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.277 1.537 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.967 2.670 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.038 4.180 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 510 14.157 2.877 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.128 2.594 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 510 12.139 2.962 -11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 510 12.983 0.599 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.453 0.430 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 13.214 -0.321 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 12.593 1.116 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 14.070 1.134 -11.702 1.00 0.00 H new ATOM 1022 N MET A 511 12.578 3.562 -4.887 1.00 0.00 N ATOM 1023 CA MET A 511 12.169 3.223 -3.529 1.00 0.00 C ATOM 1024 C MET A 511 11.021 2.218 -3.541 1.00 0.00 C ATOM 1025 O MET A 511 9.986 2.452 -4.164 1.00 0.00 O ATOM 1026 CB MET A 511 11.751 4.483 -2.769 1.00 0.00 C ATOM 1027 CG MET A 511 12.892 5.460 -2.537 1.00 0.00 C ATOM 1028 SD MET A 511 12.404 6.871 -1.527 1.00 0.00 S ATOM 1029 CE MET A 511 13.909 7.843 -1.552 1.00 0.00 C ATOM 0 H MET A 511 12.060 4.335 -5.304 1.00 0.00 H new ATOM 0 HA MET A 511 13.021 2.769 -3.023 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.960 4.987 -3.324 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.330 4.194 -1.806 1.00 0.00 H new ATOM 0 HG2 MET A 511 13.718 4.939 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 511 13.261 5.817 -3.499 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.765 8.752 -0.968 1.00 0.00 H new ATOM 0 HE2 MET A 511 14.725 7.261 -1.123 1.00 0.00 H new ATOM 0 HE3 MET A 511 14.154 8.108 -2.581 1.00 0.00 H new ATOM 1039 N HIS A 512 11.213 1.100 -2.850 1.00 0.00 N ATOM 1040 CA HIS A 512 10.194 0.059 -2.781 1.00 0.00 C ATOM 1041 C HIS A 512 9.837 -0.257 -1.332 1.00 0.00 C ATOM 1042 O HIS A 512 10.691 -0.207 -0.447 1.00 0.00 O ATOM 1043 CB HIS A 512 10.680 -1.208 -3.486 1.00 0.00 C ATOM 1044 CG HIS A 512 10.861 -1.039 -4.963 1.00 0.00 C ATOM 1045 ND1 HIS A 512 12.055 -0.654 -5.536 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.991 -1.207 -5.987 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.911 -0.591 -6.848 1.00 0.00 C ATOM 1048 NE2 HIS A 512 10.669 -0.922 -7.147 1.00 0.00 N ATOM 0 H HIS A 512 12.065 0.891 -2.330 1.00 0.00 H new ATOM 0 HA HIS A 512 9.300 0.427 -3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.627 -1.519 -3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.966 -2.011 -3.305 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.957 -1.509 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 512 12.679 -0.315 -7.555 1.00 0.00 H new ATOM 0 HE2 HIS A 512 10.276 -0.960 -8.088 1.00 0.00 H new ATOM 1057 N PHE A 513 8.570 -0.583 -1.098 1.00 0.00 N ATOM 1058 CA PHE A 513 8.101 -0.907 0.244 1.00 0.00 C ATOM 1059 C PHE A 513 7.882 -2.408 0.396 1.00 0.00 C ATOM 1060 O PHE A 513 7.178 -3.027 -0.402 1.00 0.00 O ATOM 1061 CB PHE A 513 6.803 -0.157 0.548 1.00 0.00 C ATOM 1062 CG PHE A 513 6.959 1.337 0.543 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.773 2.062 -0.623 1.00 0.00 C ATOM 1064 CD2 PHE A 513 7.291 2.016 1.704 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.916 3.437 -0.631 1.00 0.00 C ATOM 1066 CE2 PHE A 513 7.435 3.391 1.703 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.247 4.102 0.533 1.00 0.00 C ATOM 0 H PHE A 513 7.851 -0.630 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 513 8.867 -0.596 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.049 -0.438 -0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.430 -0.472 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 513 6.513 1.547 -1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.439 1.465 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 513 6.769 3.990 -1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.694 3.909 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.359 5.176 0.529 1.00 0.00 H new ATOM 1077 N SER A 514 8.490 -2.988 1.426 1.00 0.00 N ATOM 1078 CA SER A 514 8.361 -4.418 1.683 1.00 0.00 C ATOM 1079 C SER A 514 8.200 -4.690 3.175 1.00 0.00 C ATOM 1080 O SER A 514 8.857 -4.062 4.005 1.00 0.00 O ATOM 1081 CB SER A 514 9.583 -5.166 1.145 1.00 0.00 C ATOM 1082 OG SER A 514 9.435 -6.566 1.305 1.00 0.00 O ATOM 0 H SER A 514 9.076 -2.490 2.096 1.00 0.00 H new ATOM 0 HA SER A 514 7.469 -4.776 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.722 -4.930 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.478 -4.830 1.668 1.00 0.00 H new ATOM 0 HG SER A 514 10.228 -7.021 0.952 1.00 0.00 H new ATOM 1088 N LEU A 515 7.323 -5.631 3.507 1.00 0.00 N ATOM 1089 CA LEU A 515 7.075 -5.988 4.900 1.00 0.00 C ATOM 1090 C LEU A 515 7.622 -7.375 5.214 1.00 0.00 C ATOM 1091 O LEU A 515 7.568 -8.279 4.380 1.00 0.00 O ATOM 1092 CB LEU A 515 5.576 -5.940 5.202 1.00 0.00 C ATOM 1093 CG LEU A 515 5.026 -4.552 5.532 1.00 0.00 C ATOM 1094 CD1 LEU A 515 3.506 -4.570 5.539 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.562 -4.075 6.873 1.00 0.00 C ATOM 0 H LEU A 515 6.772 -6.160 2.831 1.00 0.00 H new ATOM 0 HA LEU A 515 7.590 -5.263 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.035 -6.333 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.368 -6.605 6.040 1.00 0.00 H new ATOM 0 HG LEU A 515 5.357 -3.856 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.131 -3.574 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 515 3.141 -4.871 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.154 -5.278 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.161 -3.086 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.259 -4.772 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.650 -4.025 6.833 1.00 0.00 H new ATOM 1107 N LYS A 516 8.147 -7.538 6.424 1.00 0.00 N ATOM 1108 CA LYS A 516 8.701 -8.817 6.851 1.00 0.00 C ATOM 1109 C LYS A 516 8.027 -9.299 8.131 1.00 0.00 C ATOM 1110 O LYS A 516 8.421 -8.920 9.234 1.00 0.00 O ATOM 1111 CB LYS A 516 10.210 -8.694 7.070 1.00 0.00 C ATOM 1112 CG LYS A 516 10.984 -8.367 5.804 1.00 0.00 C ATOM 1113 CD LYS A 516 12.474 -8.241 6.078 1.00 0.00 C ATOM 1114 CE LYS A 516 13.086 -9.581 6.455 1.00 0.00 C ATOM 1115 NZ LYS A 516 14.552 -9.475 6.693 1.00 0.00 N ATOM 0 H LYS A 516 8.200 -6.800 7.126 1.00 0.00 H new ATOM 0 HA LYS A 516 8.514 -9.548 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.399 -7.918 7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.586 -9.629 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.814 -9.146 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.611 -7.435 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 516 12.976 -7.846 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.638 -7.525 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.599 -9.963 7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.899 -10.302 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.931 -10.410 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 15.020 -9.135 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 14.730 -8.806 7.469 1.00 0.00 H new ATOM 1129 N GLU A 517 7.009 -10.139 7.976 1.00 0.00 N ATOM 1130 CA GLU A 517 6.279 -10.674 9.119 1.00 0.00 C ATOM 1131 C GLU A 517 7.190 -11.528 9.995 1.00 0.00 C ATOM 1132 O GLU A 517 7.228 -11.287 11.220 1.00 0.00 O ATOM 1133 CB GLU A 517 5.084 -11.504 8.645 1.00 0.00 C ATOM 1134 CG GLU A 517 4.192 -11.989 9.776 1.00 0.00 C ATOM 1135 CD GLU A 517 3.069 -12.887 9.293 1.00 0.00 C ATOM 1136 OE1 GLU A 517 3.020 -13.177 8.079 1.00 0.00 O ATOM 1137 OE2 GLU A 517 2.238 -13.300 10.130 1.00 0.00 O ATOM 1138 OXT GLU A 517 7.857 -12.432 9.449 1.00 0.00 O ATOM 0 H GLU A 517 6.671 -10.464 7.070 1.00 0.00 H new ATOM 0 HA GLU A 517 5.917 -9.834 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 517 4.488 -10.907 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 517 5.450 -12.366 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 517 4.797 -12.530 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.767 -11.128 10.292 1.00 0.00 H new