USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 539 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 521 CYS SG : rot -48:sc= -0.0632 USER MOD Set 1.2: A 522 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 504 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 507 THR OG1 : rot 180:sc= -0.769 USER MOD Set 3.1: A 477 HIS : no HD1:sc= -0.498 K(o=-0.5,f=-3!) USER MOD Set 3.2: A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 2:sc= 0.556 USER MOD Single : A 466 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ -158:sc= -0.0862 (180deg=-0.517) USER MOD Single : A 474 MET CE :methyl 158:sc= -0.0552 (180deg=-0.424) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.8!) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HE2:sc= -3.01 K(o=-3,f=-5.6!) USER MOD Single : A 512 LYS NZ :NH3+ 149:sc= 0.43 (180deg=0.0518) USER MOD Single : A 519 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -12.670 28.460 -4.026 1.00 0.00 N ATOM 2 CA GLY A 455 -13.619 28.409 -5.123 1.00 0.00 C ATOM 3 C GLY A 455 -14.244 29.759 -5.412 1.00 0.00 C ATOM 4 O GLY A 455 -13.730 30.528 -6.224 1.00 0.00 O ATOM 0 HA2 GLY A 455 -13.115 28.046 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -14.405 27.691 -4.887 1.00 0.00 H new ATOM 8 N SER A 456 -15.358 30.049 -4.746 1.00 0.00 N ATOM 9 CA SER A 456 -16.057 31.314 -4.940 1.00 0.00 C ATOM 10 C SER A 456 -15.944 32.193 -3.698 1.00 0.00 C ATOM 11 O SER A 456 -15.415 33.303 -3.755 1.00 0.00 O ATOM 12 CB SER A 456 -17.530 31.062 -5.268 1.00 0.00 C ATOM 13 OG SER A 456 -17.679 30.543 -6.578 1.00 0.00 O ATOM 0 H SER A 456 -15.795 29.425 -4.068 1.00 0.00 H new ATOM 0 HA SER A 456 -15.590 31.834 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 456 -17.952 30.363 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 456 -18.091 31.992 -5.176 1.00 0.00 H new ATOM 0 HG SER A 456 -18.629 30.389 -6.763 1.00 0.00 H new ATOM 19 N SER A 457 -16.445 31.687 -2.575 1.00 0.00 N ATOM 20 CA SER A 457 -16.405 32.427 -1.319 1.00 0.00 C ATOM 21 C SER A 457 -14.970 32.578 -0.824 1.00 0.00 C ATOM 22 O SER A 457 -14.427 31.684 -0.177 1.00 0.00 O ATOM 23 CB SER A 457 -17.251 31.719 -0.259 1.00 0.00 C ATOM 24 OG SER A 457 -16.974 32.225 1.036 1.00 0.00 O ATOM 0 H SER A 457 -16.883 30.768 -2.510 1.00 0.00 H new ATOM 0 HA SER A 457 -16.816 33.421 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 457 -18.309 31.851 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.051 30.648 -0.285 1.00 0.00 H new ATOM 0 HG SER A 457 -17.528 31.758 1.695 1.00 0.00 H new ATOM 30 N GLY A 458 -14.361 33.719 -1.133 1.00 0.00 N ATOM 31 CA GLY A 458 -12.995 33.969 -0.712 1.00 0.00 C ATOM 32 C GLY A 458 -11.979 33.288 -1.607 1.00 0.00 C ATOM 33 O GLY A 458 -12.116 33.296 -2.831 1.00 0.00 O ATOM 0 H GLY A 458 -14.790 34.475 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -12.810 35.043 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -12.864 33.620 0.312 1.00 0.00 H new ATOM 37 N SER A 459 -10.956 32.698 -0.997 1.00 0.00 N ATOM 38 CA SER A 459 -9.910 32.014 -1.748 1.00 0.00 C ATOM 39 C SER A 459 -9.843 30.538 -1.367 1.00 0.00 C ATOM 40 O SER A 459 -10.383 30.126 -0.340 1.00 0.00 O ATOM 41 CB SER A 459 -8.555 32.679 -1.496 1.00 0.00 C ATOM 42 OG SER A 459 -7.651 32.412 -2.555 1.00 0.00 O ATOM 0 H SER A 459 -10.829 32.680 0.015 1.00 0.00 H new ATOM 0 HA SER A 459 -10.152 32.087 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 459 -8.689 33.756 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 459 -8.137 32.316 -0.557 1.00 0.00 H new ATOM 0 HG SER A 459 -6.793 32.849 -2.371 1.00 0.00 H new ATOM 48 N SER A 460 -9.178 29.747 -2.202 1.00 0.00 N ATOM 49 CA SER A 460 -9.043 28.316 -1.956 1.00 0.00 C ATOM 50 C SER A 460 -7.960 28.043 -0.917 1.00 0.00 C ATOM 51 O SER A 460 -8.234 27.511 0.158 1.00 0.00 O ATOM 52 CB SER A 460 -8.715 27.582 -3.257 1.00 0.00 C ATOM 53 OG SER A 460 -9.854 27.497 -4.096 1.00 0.00 O ATOM 0 H SER A 460 -8.724 30.073 -3.055 1.00 0.00 H new ATOM 0 HA SER A 460 -9.993 27.948 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 460 -7.913 28.103 -3.780 1.00 0.00 H new ATOM 0 HB3 SER A 460 -8.350 26.580 -3.031 1.00 0.00 H new ATOM 0 HG SER A 460 -10.608 27.956 -3.671 1.00 0.00 H new ATOM 59 N GLY A 461 -6.726 28.411 -1.247 1.00 0.00 N ATOM 60 CA GLY A 461 -5.618 28.198 -0.334 1.00 0.00 C ATOM 61 C GLY A 461 -4.514 29.221 -0.513 1.00 0.00 C ATOM 62 O GLY A 461 -4.346 29.778 -1.597 1.00 0.00 O ATOM 0 H GLY A 461 -6.474 28.853 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -5.984 28.239 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -5.211 27.199 -0.488 1.00 0.00 H new ATOM 66 N GLU A 462 -3.761 29.469 0.554 1.00 0.00 N ATOM 67 CA GLU A 462 -2.669 30.435 0.510 1.00 0.00 C ATOM 68 C GLU A 462 -1.676 30.083 -0.594 1.00 0.00 C ATOM 69 O GLU A 462 -1.305 30.932 -1.404 1.00 0.00 O ATOM 70 CB GLU A 462 -1.950 30.487 1.859 1.00 0.00 C ATOM 71 CG GLU A 462 -2.753 31.174 2.951 1.00 0.00 C ATOM 72 CD GLU A 462 -2.534 32.674 2.980 1.00 0.00 C ATOM 73 OE1 GLU A 462 -2.255 33.255 1.910 1.00 0.00 O ATOM 74 OE2 GLU A 462 -2.643 33.268 4.074 1.00 0.00 O ATOM 0 H GLU A 462 -3.887 29.015 1.459 1.00 0.00 H new ATOM 0 HA GLU A 462 -3.094 31.415 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -1.717 29.471 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -1.001 31.008 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -3.813 30.968 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -2.480 30.752 3.918 1.00 0.00 H new ATOM 81 N PHE A 463 -1.251 28.824 -0.620 1.00 0.00 N ATOM 82 CA PHE A 463 -0.300 28.359 -1.623 1.00 0.00 C ATOM 83 C PHE A 463 -1.010 27.575 -2.723 1.00 0.00 C ATOM 84 O PHE A 463 -1.972 26.847 -2.479 1.00 0.00 O ATOM 85 CB PHE A 463 0.775 27.486 -0.972 1.00 0.00 C ATOM 86 CG PHE A 463 0.216 26.368 -0.139 1.00 0.00 C ATOM 87 CD1 PHE A 463 -0.208 26.598 1.159 1.00 0.00 C ATOM 88 CD2 PHE A 463 0.114 25.086 -0.656 1.00 0.00 C ATOM 89 CE1 PHE A 463 -0.724 25.572 1.928 1.00 0.00 C ATOM 90 CE2 PHE A 463 -0.401 24.056 0.108 1.00 0.00 C ATOM 91 CZ PHE A 463 -0.819 24.299 1.402 1.00 0.00 C ATOM 0 H PHE A 463 -1.550 28.108 0.042 1.00 0.00 H new ATOM 0 HA PHE A 463 0.174 29.233 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 463 1.411 27.065 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 463 1.410 28.112 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -0.135 27.592 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 463 0.440 24.890 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -1.052 25.766 2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -0.477 23.062 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 463 -1.219 23.495 2.001 1.00 0.00 H new ATOM 101 N PRO A 464 -0.525 27.728 -3.964 1.00 0.00 N ATOM 102 CA PRO A 464 -1.098 27.043 -5.127 1.00 0.00 C ATOM 103 C PRO A 464 -0.834 25.542 -5.104 1.00 0.00 C ATOM 104 O PRO A 464 0.087 25.074 -4.436 1.00 0.00 O ATOM 105 CB PRO A 464 -0.378 27.694 -6.312 1.00 0.00 C ATOM 106 CG PRO A 464 0.912 28.183 -5.749 1.00 0.00 C ATOM 107 CD PRO A 464 0.619 28.580 -4.328 1.00 0.00 C ATOM 0 HA PRO A 464 -2.183 27.140 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -0.213 26.978 -7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -0.964 28.513 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 464 1.675 27.405 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 464 1.291 29.030 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 464 1.475 28.403 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 464 0.372 29.639 -4.249 1.00 0.00 H new ATOM 115 N ALA A 465 -1.649 24.791 -5.838 1.00 0.00 N ATOM 116 CA ALA A 465 -1.502 23.342 -5.902 1.00 0.00 C ATOM 117 C ALA A 465 -0.393 22.946 -6.871 1.00 0.00 C ATOM 118 O ALA A 465 -0.599 22.917 -8.085 1.00 0.00 O ATOM 119 CB ALA A 465 -2.818 22.696 -6.310 1.00 0.00 C ATOM 0 H ALA A 465 -2.418 25.162 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.227 22.984 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -2.694 21.614 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.587 22.944 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -3.117 23.067 -7.290 1.00 0.00 H new ATOM 125 N GLN A 466 0.781 22.642 -6.328 1.00 0.00 N ATOM 126 CA GLN A 466 1.922 22.248 -7.146 1.00 0.00 C ATOM 127 C GLN A 466 1.990 20.732 -7.293 1.00 0.00 C ATOM 128 O GLN A 466 1.935 20.204 -8.403 1.00 0.00 O ATOM 129 CB GLN A 466 3.221 22.772 -6.532 1.00 0.00 C ATOM 130 CG GLN A 466 3.297 24.289 -6.470 1.00 0.00 C ATOM 131 CD GLN A 466 3.902 24.895 -7.721 1.00 0.00 C ATOM 132 OE1 GLN A 466 3.804 24.327 -8.809 1.00 0.00 O ATOM 133 NE2 GLN A 466 4.533 26.054 -7.572 1.00 0.00 N ATOM 0 H GLN A 466 0.967 22.661 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 466 1.794 22.684 -8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 466 3.325 22.370 -5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.064 22.398 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 466 2.296 24.693 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 466 3.890 24.584 -5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.590 26.489 -6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 466 4.961 26.509 -8.378 1.00 0.00 H new ATOM 142 N GLU A 467 2.110 20.038 -6.165 1.00 0.00 N ATOM 143 CA GLU A 467 2.186 18.582 -6.170 1.00 0.00 C ATOM 144 C GLU A 467 1.044 17.974 -5.360 1.00 0.00 C ATOM 145 O GLU A 467 0.787 18.381 -4.226 1.00 0.00 O ATOM 146 CB GLU A 467 3.530 18.118 -5.604 1.00 0.00 C ATOM 147 CG GLU A 467 3.988 16.775 -6.147 1.00 0.00 C ATOM 148 CD GLU A 467 4.292 16.819 -7.632 1.00 0.00 C ATOM 149 OE1 GLU A 467 5.258 17.508 -8.020 1.00 0.00 O ATOM 150 OE2 GLU A 467 3.562 16.164 -8.406 1.00 0.00 O ATOM 0 H GLU A 467 2.157 20.460 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 467 2.097 18.243 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 467 4.288 18.869 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 467 3.455 18.055 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 467 4.879 16.454 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 467 3.215 16.029 -5.960 1.00 0.00 H new ATOM 157 N LEU A 468 0.362 16.999 -5.950 1.00 0.00 N ATOM 158 CA LEU A 468 -0.754 16.335 -5.285 1.00 0.00 C ATOM 159 C LEU A 468 -0.320 15.755 -3.943 1.00 0.00 C ATOM 160 O LEU A 468 0.871 15.685 -3.642 1.00 0.00 O ATOM 161 CB LEU A 468 -1.316 15.225 -6.175 1.00 0.00 C ATOM 162 CG LEU A 468 -1.806 15.657 -7.558 1.00 0.00 C ATOM 163 CD1 LEU A 468 -1.640 14.526 -8.561 1.00 0.00 C ATOM 164 CD2 LEU A 468 -3.259 16.106 -7.493 1.00 0.00 C ATOM 0 H LEU A 468 0.562 16.650 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 468 -1.532 17.077 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.545 14.466 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -2.145 14.750 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.200 16.500 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.994 14.852 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.587 14.252 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.220 13.662 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.591 16.410 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -3.879 15.282 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.349 16.948 -6.807 1.00 0.00 H new ATOM 176 N ARG A 469 -1.295 15.340 -3.141 1.00 0.00 N ATOM 177 CA ARG A 469 -1.014 14.765 -1.831 1.00 0.00 C ATOM 178 C ARG A 469 -0.711 13.274 -1.945 1.00 0.00 C ATOM 179 O ARG A 469 -1.586 12.433 -1.738 1.00 0.00 O ATOM 180 CB ARG A 469 -2.200 14.984 -0.889 1.00 0.00 C ATOM 181 CG ARG A 469 -2.290 16.399 -0.342 1.00 0.00 C ATOM 182 CD ARG A 469 -3.638 16.659 0.311 1.00 0.00 C ATOM 183 NE ARG A 469 -4.703 16.819 -0.676 1.00 0.00 N ATOM 184 CZ ARG A 469 -5.993 16.683 -0.392 1.00 0.00 C ATOM 185 NH1 ARG A 469 -6.377 16.388 0.842 1.00 0.00 N ATOM 186 NH2 ARG A 469 -6.903 16.844 -1.345 1.00 0.00 N ATOM 0 H ARG A 469 -2.286 15.391 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 469 -0.137 15.267 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -3.123 14.749 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -2.125 14.285 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -1.495 16.560 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -2.132 17.113 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -3.883 15.832 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -3.576 17.557 0.926 1.00 0.00 H new ATOM 0 HE ARG A 469 -4.442 17.048 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -5.681 16.265 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -7.369 16.284 1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -6.611 17.072 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -7.894 16.740 -1.127 1.00 0.00 H new ATOM 200 N LYS A 470 0.535 12.953 -2.277 1.00 0.00 N ATOM 201 CA LYS A 470 0.956 11.564 -2.419 1.00 0.00 C ATOM 202 C LYS A 470 1.076 10.890 -1.056 1.00 0.00 C ATOM 203 O LYS A 470 2.052 11.098 -0.334 1.00 0.00 O ATOM 204 CB LYS A 470 2.294 11.488 -3.157 1.00 0.00 C ATOM 205 CG LYS A 470 2.918 10.103 -3.144 1.00 0.00 C ATOM 206 CD LYS A 470 4.426 10.170 -3.318 1.00 0.00 C ATOM 207 CE LYS A 470 5.028 8.784 -3.499 1.00 0.00 C ATOM 208 NZ LYS A 470 6.506 8.840 -3.670 1.00 0.00 N ATOM 0 H LYS A 470 1.271 13.636 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 470 0.198 11.038 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 470 2.148 11.802 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 470 2.990 12.195 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 470 2.681 9.605 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.485 9.500 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 470 4.667 10.788 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 470 4.873 10.651 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 470 4.786 8.167 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 470 4.580 8.304 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 6.878 7.876 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 6.737 9.408 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 6.937 9.275 -2.829 1.00 0.00 H new ATOM 222 N TYR A 471 0.081 10.082 -0.711 1.00 0.00 N ATOM 223 CA TYR A 471 0.075 9.378 0.566 1.00 0.00 C ATOM 224 C TYR A 471 -0.520 7.981 0.416 1.00 0.00 C ATOM 225 O TYR A 471 -1.480 7.779 -0.328 1.00 0.00 O ATOM 226 CB TYR A 471 -0.717 10.172 1.607 1.00 0.00 C ATOM 227 CG TYR A 471 -2.176 10.349 1.252 1.00 0.00 C ATOM 228 CD1 TYR A 471 -3.061 9.279 1.317 1.00 0.00 C ATOM 229 CD2 TYR A 471 -2.669 11.584 0.851 1.00 0.00 C ATOM 230 CE1 TYR A 471 -4.395 9.436 0.993 1.00 0.00 C ATOM 231 CE2 TYR A 471 -4.002 11.750 0.527 1.00 0.00 C ATOM 232 CZ TYR A 471 -4.860 10.673 0.599 1.00 0.00 C ATOM 233 OH TYR A 471 -6.188 10.834 0.276 1.00 0.00 O ATOM 0 H TYR A 471 -0.733 9.898 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 471 1.107 9.280 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -0.645 9.666 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.259 11.154 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -2.700 8.309 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.999 12.429 0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -5.070 8.595 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -4.370 12.718 0.219 1.00 0.00 H new ATOM 0 HH TYR A 471 -6.352 11.766 0.020 1.00 0.00 H new ATOM 243 N PHE A 472 0.058 7.019 1.129 1.00 0.00 N ATOM 244 CA PHE A 472 -0.414 5.640 1.076 1.00 0.00 C ATOM 245 C PHE A 472 -1.657 5.457 1.941 1.00 0.00 C ATOM 246 O PHE A 472 -1.630 5.701 3.147 1.00 0.00 O ATOM 247 CB PHE A 472 0.688 4.684 1.537 1.00 0.00 C ATOM 248 CG PHE A 472 2.037 5.000 0.958 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.154 5.810 -0.160 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.189 4.485 1.530 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.394 6.103 -0.696 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.432 4.774 0.999 1.00 0.00 C ATOM 253 CZ PHE A 472 4.534 5.583 -0.116 1.00 0.00 C ATOM 0 H PHE A 472 0.853 7.169 1.750 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.675 5.411 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.752 4.714 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.413 3.666 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.265 6.218 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.115 3.850 2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.471 6.737 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.323 4.368 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.504 5.808 -0.534 1.00 0.00 H new ATOM 263 N LYS A 473 -2.747 5.026 1.315 1.00 0.00 N ATOM 264 CA LYS A 473 -4.002 4.809 2.025 1.00 0.00 C ATOM 265 C LYS A 473 -4.653 3.499 1.591 1.00 0.00 C ATOM 266 O LYS A 473 -4.437 3.028 0.475 1.00 0.00 O ATOM 267 CB LYS A 473 -4.962 5.975 1.776 1.00 0.00 C ATOM 268 CG LYS A 473 -5.558 5.983 0.379 1.00 0.00 C ATOM 269 CD LYS A 473 -6.918 6.662 0.358 1.00 0.00 C ATOM 270 CE LYS A 473 -7.458 6.783 -1.059 1.00 0.00 C ATOM 271 NZ LYS A 473 -6.524 7.530 -1.947 1.00 0.00 N ATOM 0 H LYS A 473 -2.786 4.820 0.317 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.782 4.750 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.770 5.932 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.432 6.913 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.882 6.499 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -5.656 4.959 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -7.619 6.093 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.838 7.653 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.630 5.788 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -8.423 7.290 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -7.049 7.914 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -6.089 8.311 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -5.781 6.887 -2.288 1.00 0.00 H new ATOM 285 N MET A 474 -5.451 2.917 2.480 1.00 0.00 N ATOM 286 CA MET A 474 -6.136 1.663 2.187 1.00 0.00 C ATOM 287 C MET A 474 -6.886 1.750 0.861 1.00 0.00 C ATOM 288 O MET A 474 -7.699 2.650 0.656 1.00 0.00 O ATOM 289 CB MET A 474 -7.108 1.313 3.315 1.00 0.00 C ATOM 290 CG MET A 474 -7.788 -0.035 3.133 1.00 0.00 C ATOM 291 SD MET A 474 -9.418 -0.099 3.902 1.00 0.00 S ATOM 292 CE MET A 474 -10.349 0.976 2.813 1.00 0.00 C ATOM 0 H MET A 474 -5.639 3.293 3.409 1.00 0.00 H new ATOM 0 HA MET A 474 -5.385 0.877 2.108 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.569 1.314 4.262 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.870 2.090 3.381 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.884 -0.249 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 474 -7.158 -0.816 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.411 0.747 2.897 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.178 2.015 3.094 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.025 0.820 1.784 1.00 0.00 H new ATOM 302 N GLY A 475 -6.606 0.809 -0.035 1.00 0.00 N ATOM 303 CA GLY A 475 -7.262 0.799 -1.329 1.00 0.00 C ATOM 304 C GLY A 475 -6.301 1.073 -2.469 1.00 0.00 C ATOM 305 O GLY A 475 -6.502 0.599 -3.587 1.00 0.00 O ATOM 0 H GLY A 475 -5.937 0.054 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.738 -0.169 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.054 1.548 -1.337 1.00 0.00 H new ATOM 309 N ASP A 476 -5.255 1.841 -2.187 1.00 0.00 N ATOM 310 CA ASP A 476 -4.259 2.178 -3.197 1.00 0.00 C ATOM 311 C ASP A 476 -3.203 1.083 -3.307 1.00 0.00 C ATOM 312 O ASP A 476 -3.019 0.289 -2.383 1.00 0.00 O ATOM 313 CB ASP A 476 -3.593 3.514 -2.862 1.00 0.00 C ATOM 314 CG ASP A 476 -4.418 4.702 -3.315 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.559 4.490 -3.777 1.00 0.00 O ATOM 316 OD2 ASP A 476 -3.923 5.844 -3.209 1.00 0.00 O ATOM 0 H ASP A 476 -5.075 2.242 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.767 2.265 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.432 3.577 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.611 3.556 -3.334 1.00 0.00 H new ATOM 321 N HIS A 477 -2.513 1.044 -4.442 1.00 0.00 N ATOM 322 CA HIS A 477 -1.475 0.045 -4.673 1.00 0.00 C ATOM 323 C HIS A 477 -0.087 0.653 -4.496 1.00 0.00 C ATOM 324 O HIS A 477 0.209 1.719 -5.038 1.00 0.00 O ATOM 325 CB HIS A 477 -1.611 -0.547 -6.076 1.00 0.00 C ATOM 326 CG HIS A 477 -0.415 -1.337 -6.511 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.421 -0.936 -7.531 1.00 0.00 N ATOM 328 CD2 HIS A 477 0.085 -2.510 -6.056 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.382 -1.828 -7.686 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.201 -2.794 -6.803 1.00 0.00 N ATOM 0 H HIS A 477 -2.654 1.693 -5.217 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.600 -0.750 -3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.491 -1.189 -6.107 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.781 0.261 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.319 -3.111 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.180 -1.777 -8.411 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.794 -3.617 -6.694 1.00 0.00 H new ATOM 338 N VAL A 478 0.761 -0.031 -3.735 1.00 0.00 N ATOM 339 CA VAL A 478 2.118 0.441 -3.487 1.00 0.00 C ATOM 340 C VAL A 478 3.148 -0.603 -3.904 1.00 0.00 C ATOM 341 O VAL A 478 2.835 -1.788 -4.020 1.00 0.00 O ATOM 342 CB VAL A 478 2.329 0.790 -2.002 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.270 1.774 -1.528 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.313 -0.472 -1.152 1.00 0.00 C ATOM 0 H VAL A 478 0.532 -0.914 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 478 2.254 1.341 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 478 3.305 1.263 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.436 2.008 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.333 2.688 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.281 1.331 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.463 -0.208 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.352 -0.975 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 478 3.112 -1.139 -1.476 1.00 0.00 H new ATOM 354 N LYS A 479 4.379 -0.155 -4.128 1.00 0.00 N ATOM 355 CA LYS A 479 5.457 -1.050 -4.530 1.00 0.00 C ATOM 356 C LYS A 479 6.646 -0.930 -3.582 1.00 0.00 C ATOM 357 O LYS A 479 7.040 0.172 -3.201 1.00 0.00 O ATOM 358 CB LYS A 479 5.899 -0.738 -5.962 1.00 0.00 C ATOM 359 CG LYS A 479 7.319 -1.180 -6.270 1.00 0.00 C ATOM 360 CD LYS A 479 7.510 -1.447 -7.754 1.00 0.00 C ATOM 361 CE LYS A 479 8.975 -1.350 -8.153 1.00 0.00 C ATOM 362 NZ LYS A 479 9.135 -1.049 -9.603 1.00 0.00 N ATOM 0 H LYS A 479 4.655 0.823 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 479 5.082 -2.073 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.217 -1.225 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.816 0.335 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 479 8.019 -0.411 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.551 -2.082 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.130 -2.439 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.926 -0.731 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.461 -0.572 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.478 -2.288 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.147 -0.991 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.693 -1.804 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.677 -0.141 -9.822 1.00 0.00 H new ATOM 376 N VAL A 480 7.215 -2.071 -3.206 1.00 0.00 N ATOM 377 CA VAL A 480 8.361 -2.093 -2.305 1.00 0.00 C ATOM 378 C VAL A 480 9.668 -1.938 -3.074 1.00 0.00 C ATOM 379 O VAL A 480 10.040 -2.805 -3.866 1.00 0.00 O ATOM 380 CB VAL A 480 8.409 -3.399 -1.490 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.518 -3.340 -0.451 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.064 -3.665 -0.831 1.00 0.00 C ATOM 0 H VAL A 480 6.901 -2.992 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 480 8.243 -1.252 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 480 8.624 -4.223 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.536 -4.271 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.477 -3.200 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.337 -2.507 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.116 -4.592 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.817 -2.840 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.294 -3.754 -1.598 1.00 0.00 H new ATOM 392 N ILE A 481 10.361 -0.830 -2.835 1.00 0.00 N ATOM 393 CA ILE A 481 11.628 -0.563 -3.504 1.00 0.00 C ATOM 394 C ILE A 481 12.809 -0.946 -2.618 1.00 0.00 C ATOM 395 O ILE A 481 13.900 -1.232 -3.111 1.00 0.00 O ATOM 396 CB ILE A 481 11.755 0.921 -3.897 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.848 1.796 -2.645 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.575 1.343 -4.759 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.083 3.259 -2.947 1.00 0.00 C ATOM 0 H ILE A 481 10.066 -0.103 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 481 11.643 -1.172 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 481 12.668 1.052 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.926 1.695 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.658 1.429 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.679 2.394 -5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.551 0.737 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.649 1.201 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.138 3.819 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.019 3.372 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.261 3.642 -3.552 1.00 0.00 H new ATOM 411 N ALA A 482 12.582 -0.951 -1.309 1.00 0.00 N ATOM 412 CA ALA A 482 13.626 -1.303 -0.354 1.00 0.00 C ATOM 413 C ALA A 482 13.057 -2.105 0.811 1.00 0.00 C ATOM 414 O ALA A 482 11.860 -2.387 0.857 1.00 0.00 O ATOM 415 CB ALA A 482 14.320 -0.048 0.155 1.00 0.00 C ATOM 0 H ALA A 482 11.685 -0.715 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 482 14.358 -1.927 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.097 -0.325 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.769 0.485 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.591 0.597 0.646 1.00 0.00 H new ATOM 421 N GLY A 483 13.923 -2.470 1.751 1.00 0.00 N ATOM 422 CA GLY A 483 13.487 -3.237 2.904 1.00 0.00 C ATOM 423 C GLY A 483 13.723 -4.725 2.733 1.00 0.00 C ATOM 424 O GLY A 483 14.530 -5.141 1.902 1.00 0.00 O ATOM 0 H GLY A 483 14.919 -2.249 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.017 -2.888 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.426 -3.058 3.076 1.00 0.00 H new ATOM 428 N ARG A 484 13.018 -5.528 3.523 1.00 0.00 N ATOM 429 CA ARG A 484 13.157 -6.978 3.457 1.00 0.00 C ATOM 430 C ARG A 484 12.242 -7.564 2.386 1.00 0.00 C ATOM 431 O ARG A 484 12.313 -8.753 2.076 1.00 0.00 O ATOM 432 CB ARG A 484 12.836 -7.605 4.815 1.00 0.00 C ATOM 433 CG ARG A 484 13.875 -7.306 5.884 1.00 0.00 C ATOM 434 CD ARG A 484 13.277 -7.385 7.280 1.00 0.00 C ATOM 435 NE ARG A 484 14.278 -7.732 8.285 1.00 0.00 N ATOM 436 CZ ARG A 484 13.980 -8.040 9.543 1.00 0.00 C ATOM 437 NH1 ARG A 484 12.717 -8.045 9.946 1.00 0.00 N ATOM 438 NH2 ARG A 484 14.946 -8.345 10.399 1.00 0.00 N ATOM 0 H ARG A 484 12.345 -5.199 4.216 1.00 0.00 H new ATOM 0 HA ARG A 484 14.190 -7.207 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 484 11.865 -7.243 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 484 12.750 -8.685 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 484 14.699 -8.014 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.291 -6.312 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 484 12.824 -6.427 7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 484 12.479 -8.128 7.291 1.00 0.00 H new ATOM 0 HE ARG A 484 15.259 -7.738 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 484 11.971 -7.812 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 484 12.491 -8.282 10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 484 15.919 -8.343 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 484 14.716 -8.581 11.364 1.00 0.00 H new ATOM 452 N PHE A 485 11.382 -6.721 1.824 1.00 0.00 N ATOM 453 CA PHE A 485 10.451 -7.155 0.789 1.00 0.00 C ATOM 454 C PHE A 485 10.692 -6.395 -0.512 1.00 0.00 C ATOM 455 O PHE A 485 9.753 -6.082 -1.243 1.00 0.00 O ATOM 456 CB PHE A 485 9.007 -6.950 1.253 1.00 0.00 C ATOM 457 CG PHE A 485 8.688 -7.645 2.545 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.938 -7.028 3.760 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.138 -8.917 2.545 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.645 -7.665 4.951 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.843 -9.559 3.733 1.00 0.00 C ATOM 462 CZ PHE A 485 8.098 -8.933 4.937 1.00 0.00 C ATOM 0 H PHE A 485 11.311 -5.733 2.068 1.00 0.00 H new ATOM 0 HA PHE A 485 10.619 -8.216 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.819 -5.883 1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.330 -7.311 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.367 -6.037 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.938 -9.412 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.843 -7.172 5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.413 -10.550 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.870 -9.434 5.866 1.00 0.00 H new ATOM 472 N GLU A 486 11.958 -6.102 -0.794 1.00 0.00 N ATOM 473 CA GLU A 486 12.322 -5.378 -2.006 1.00 0.00 C ATOM 474 C GLU A 486 11.833 -6.116 -3.248 1.00 0.00 C ATOM 475 O GLU A 486 11.925 -7.340 -3.333 1.00 0.00 O ATOM 476 CB GLU A 486 13.839 -5.187 -2.076 1.00 0.00 C ATOM 477 CG GLU A 486 14.305 -4.472 -3.334 1.00 0.00 C ATOM 478 CD GLU A 486 14.591 -5.428 -4.475 1.00 0.00 C ATOM 479 OE1 GLU A 486 15.340 -6.403 -4.258 1.00 0.00 O ATOM 480 OE2 GLU A 486 14.067 -5.201 -5.586 1.00 0.00 O ATOM 0 H GLU A 486 12.748 -6.355 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 486 11.841 -4.400 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.166 -4.621 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.322 -6.162 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.543 -3.758 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 486 15.205 -3.900 -3.110 1.00 0.00 H new ATOM 487 N GLY A 487 11.312 -5.361 -4.212 1.00 0.00 N ATOM 488 CA GLY A 487 10.815 -5.961 -5.436 1.00 0.00 C ATOM 489 C GLY A 487 9.393 -6.466 -5.299 1.00 0.00 C ATOM 490 O GLY A 487 8.735 -6.768 -6.295 1.00 0.00 O ATOM 0 H GLY A 487 11.226 -4.346 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.861 -5.227 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.465 -6.788 -5.721 1.00 0.00 H new ATOM 494 N ASP A 488 8.917 -6.560 -4.063 1.00 0.00 N ATOM 495 CA ASP A 488 7.563 -7.033 -3.798 1.00 0.00 C ATOM 496 C ASP A 488 6.567 -5.878 -3.833 1.00 0.00 C ATOM 497 O ASP A 488 6.917 -4.733 -3.545 1.00 0.00 O ATOM 498 CB ASP A 488 7.501 -7.736 -2.441 1.00 0.00 C ATOM 499 CG ASP A 488 8.390 -8.963 -2.383 1.00 0.00 C ATOM 500 OD1 ASP A 488 8.616 -9.581 -3.444 1.00 0.00 O ATOM 501 OD2 ASP A 488 8.857 -9.305 -1.277 1.00 0.00 O ATOM 0 H ASP A 488 9.449 -6.315 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 488 7.294 -7.744 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.800 -7.037 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.471 -8.027 -2.232 1.00 0.00 H new ATOM 506 N THR A 489 5.324 -6.186 -4.189 1.00 0.00 N ATOM 507 CA THR A 489 4.278 -5.174 -4.264 1.00 0.00 C ATOM 508 C THR A 489 2.958 -5.705 -3.716 1.00 0.00 C ATOM 509 O THR A 489 2.770 -6.914 -3.589 1.00 0.00 O ATOM 510 CB THR A 489 4.063 -4.694 -5.712 1.00 0.00 C ATOM 511 OG1 THR A 489 3.417 -5.717 -6.477 1.00 0.00 O ATOM 512 CG2 THR A 489 5.389 -4.328 -6.363 1.00 0.00 C ATOM 0 H THR A 489 5.017 -7.128 -4.430 1.00 0.00 H new ATOM 0 HA THR A 489 4.609 -4.333 -3.655 1.00 0.00 H new ATOM 0 HB THR A 489 3.431 -3.806 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.283 -5.403 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.212 -3.992 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.865 -3.528 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.041 -5.201 -6.376 1.00 0.00 H new ATOM 520 N GLY A 490 2.046 -4.793 -3.394 1.00 0.00 N ATOM 521 CA GLY A 490 0.755 -5.191 -2.864 1.00 0.00 C ATOM 522 C GLY A 490 -0.166 -4.009 -2.634 1.00 0.00 C ATOM 523 O GLY A 490 0.215 -2.861 -2.865 1.00 0.00 O ATOM 0 H GLY A 490 2.178 -3.786 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.281 -5.888 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.900 -5.723 -1.924 1.00 0.00 H new ATOM 527 N LEU A 491 -1.383 -4.289 -2.180 1.00 0.00 N ATOM 528 CA LEU A 491 -2.362 -3.239 -1.920 1.00 0.00 C ATOM 529 C LEU A 491 -2.362 -2.847 -0.446 1.00 0.00 C ATOM 530 O LEU A 491 -1.879 -3.594 0.405 1.00 0.00 O ATOM 531 CB LEU A 491 -3.760 -3.705 -2.334 1.00 0.00 C ATOM 532 CG LEU A 491 -4.166 -3.406 -3.778 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.401 -4.205 -4.161 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.413 -1.916 -3.965 1.00 0.00 C ATOM 0 H LEU A 491 -1.715 -5.233 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.086 -2.365 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.825 -4.781 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.488 -3.240 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.348 -3.703 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.675 -3.979 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.189 -5.270 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.226 -3.939 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.701 -1.722 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.213 -1.593 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.502 -1.364 -3.732 1.00 0.00 H new ATOM 546 N ILE A 492 -2.907 -1.671 -0.152 1.00 0.00 N ATOM 547 CA ILE A 492 -2.972 -1.181 1.219 1.00 0.00 C ATOM 548 C ILE A 492 -4.265 -1.618 1.899 1.00 0.00 C ATOM 549 O ILE A 492 -5.359 -1.252 1.469 1.00 0.00 O ATOM 550 CB ILE A 492 -2.870 0.355 1.274 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.599 0.829 0.565 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.889 0.836 2.717 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.526 2.330 0.396 1.00 0.00 C ATOM 0 H ILE A 492 -3.310 -1.040 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.122 -1.613 1.748 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.731 0.780 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.730 0.492 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.543 0.358 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.816 1.923 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.819 0.525 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -2.045 0.405 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.599 2.594 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.376 2.671 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.550 2.808 1.375 1.00 0.00 H new ATOM 565 N VAL A 493 -4.132 -2.402 2.964 1.00 0.00 N ATOM 566 CA VAL A 493 -5.290 -2.887 3.706 1.00 0.00 C ATOM 567 C VAL A 493 -5.412 -2.186 5.054 1.00 0.00 C ATOM 568 O VAL A 493 -6.515 -1.983 5.562 1.00 0.00 O ATOM 569 CB VAL A 493 -5.213 -4.408 3.935 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.605 -5.159 2.672 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.818 -4.807 4.392 1.00 0.00 C ATOM 0 H VAL A 493 -3.234 -2.715 3.332 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.169 -2.662 3.103 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.919 -4.676 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.545 -6.232 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.625 -4.895 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.927 -4.889 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.781 -5.885 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.091 -4.526 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.581 -4.296 5.325 1.00 0.00 H new ATOM 581 N ARG A 494 -4.271 -1.818 5.628 1.00 0.00 N ATOM 582 CA ARG A 494 -4.250 -1.139 6.919 1.00 0.00 C ATOM 583 C ARG A 494 -3.057 -0.192 7.016 1.00 0.00 C ATOM 584 O ARG A 494 -1.948 -0.530 6.602 1.00 0.00 O ATOM 585 CB ARG A 494 -4.197 -2.162 8.055 1.00 0.00 C ATOM 586 CG ARG A 494 -4.489 -1.568 9.423 1.00 0.00 C ATOM 587 CD ARG A 494 -4.590 -2.647 10.490 1.00 0.00 C ATOM 588 NE ARG A 494 -4.191 -2.155 11.806 1.00 0.00 N ATOM 589 CZ ARG A 494 -4.975 -1.416 12.583 1.00 0.00 C ATOM 590 NH1 ARG A 494 -6.193 -1.085 12.177 1.00 0.00 N ATOM 591 NH2 ARG A 494 -4.541 -1.006 13.768 1.00 0.00 N ATOM 0 H ARG A 494 -3.350 -1.978 5.220 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.165 -0.553 7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.916 -2.956 7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.209 -2.623 8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.702 -0.863 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.421 -1.005 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.615 -3.016 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.959 -3.492 10.212 1.00 0.00 H new ATOM 0 HE ARG A 494 -3.259 -2.392 12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -6.530 -1.398 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -6.793 -0.517 12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -3.604 -1.258 14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -5.144 -0.439 14.364 1.00 0.00 H new ATOM 605 N VAL A 495 -3.294 0.995 7.564 1.00 0.00 N ATOM 606 CA VAL A 495 -2.240 1.991 7.716 1.00 0.00 C ATOM 607 C VAL A 495 -2.078 2.401 9.176 1.00 0.00 C ATOM 608 O VAL A 495 -3.062 2.589 9.890 1.00 0.00 O ATOM 609 CB VAL A 495 -2.527 3.245 6.870 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.232 3.964 6.524 1.00 0.00 C ATOM 611 CG2 VAL A 495 -3.293 2.874 5.610 1.00 0.00 C ATOM 0 H VAL A 495 -4.207 1.291 7.910 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.316 1.530 7.367 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.146 3.924 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.455 4.848 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.727 4.265 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.585 3.295 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.487 3.773 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.702 2.175 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -4.240 2.408 5.884 1.00 0.00 H new ATOM 621 N GLU A 496 -0.829 2.540 9.611 1.00 0.00 N ATOM 622 CA GLU A 496 -0.539 2.928 10.986 1.00 0.00 C ATOM 623 C GLU A 496 0.383 4.143 11.025 1.00 0.00 C ATOM 624 O GLU A 496 1.215 4.332 10.138 1.00 0.00 O ATOM 625 CB GLU A 496 0.102 1.764 11.744 1.00 0.00 C ATOM 626 CG GLU A 496 -0.582 0.429 11.500 1.00 0.00 C ATOM 627 CD GLU A 496 0.291 -0.752 11.878 1.00 0.00 C ATOM 628 OE1 GLU A 496 0.552 -0.934 13.086 1.00 0.00 O ATOM 629 OE2 GLU A 496 0.712 -1.494 10.967 1.00 0.00 O ATOM 0 H GLU A 496 -0.003 2.390 9.031 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.480 3.191 11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.149 1.685 11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.084 1.982 12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.508 0.389 12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.855 0.352 10.448 1.00 0.00 H new ATOM 636 N GLU A 497 0.227 4.964 12.059 1.00 0.00 N ATOM 637 CA GLU A 497 1.045 6.162 12.212 1.00 0.00 C ATOM 638 C GLU A 497 2.530 5.815 12.173 1.00 0.00 C ATOM 639 O GLU A 497 3.371 6.671 11.901 1.00 0.00 O ATOM 640 CB GLU A 497 0.709 6.870 13.526 1.00 0.00 C ATOM 641 CG GLU A 497 -0.481 7.809 13.425 1.00 0.00 C ATOM 642 CD GLU A 497 -1.807 7.085 13.550 1.00 0.00 C ATOM 643 OE1 GLU A 497 -1.886 6.126 14.347 1.00 0.00 O ATOM 644 OE2 GLU A 497 -2.766 7.476 12.852 1.00 0.00 O ATOM 0 H GLU A 497 -0.457 4.822 12.802 1.00 0.00 H new ATOM 0 HA GLU A 497 0.825 6.831 11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.506 6.121 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.580 7.435 13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -0.409 8.566 14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -0.446 8.333 12.470 1.00 0.00 H new ATOM 651 N ASN A 498 2.845 4.554 12.448 1.00 0.00 N ATOM 652 CA ASN A 498 4.229 4.093 12.446 1.00 0.00 C ATOM 653 C ASN A 498 4.602 3.498 11.092 1.00 0.00 C ATOM 654 O ASN A 498 5.588 3.901 10.475 1.00 0.00 O ATOM 655 CB ASN A 498 4.444 3.055 13.549 1.00 0.00 C ATOM 656 CG ASN A 498 5.877 3.027 14.045 1.00 0.00 C ATOM 657 OD1 ASN A 498 6.770 2.518 13.368 1.00 0.00 O ATOM 658 ND2 ASN A 498 6.103 3.576 15.233 1.00 0.00 N ATOM 0 H ASN A 498 2.161 3.833 12.675 1.00 0.00 H new ATOM 0 HA ASN A 498 4.873 4.952 12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.778 3.272 14.384 1.00 0.00 H new ATOM 0 HB3 ASN A 498 4.173 2.068 13.173 1.00 0.00 H new ATOM 0 HD21 ASN A 498 7.047 3.587 15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.332 3.987 15.760 1.00 0.00 H new ATOM 665 N PHE A 499 3.806 2.537 10.635 1.00 0.00 N ATOM 666 CA PHE A 499 4.052 1.885 9.354 1.00 0.00 C ATOM 667 C PHE A 499 2.740 1.591 8.632 1.00 0.00 C ATOM 668 O PHE A 499 1.658 1.762 9.193 1.00 0.00 O ATOM 669 CB PHE A 499 4.836 0.587 9.560 1.00 0.00 C ATOM 670 CG PHE A 499 4.540 -0.091 10.867 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.493 -0.991 10.974 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.310 0.172 11.989 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.218 -1.616 12.176 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.040 -0.450 13.193 1.00 0.00 C ATOM 675 CZ PHE A 499 3.993 -1.346 13.287 1.00 0.00 C ATOM 0 H PHE A 499 2.985 2.192 11.133 1.00 0.00 H new ATOM 0 HA PHE A 499 4.642 2.563 8.737 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.608 -0.099 8.744 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.903 0.804 9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.884 -1.207 10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.130 0.871 11.921 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.398 -2.315 12.246 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.647 -0.236 14.060 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.781 -1.834 14.227 1.00 0.00 H new ATOM 685 N VAL A 500 2.845 1.148 7.383 1.00 0.00 N ATOM 686 CA VAL A 500 1.668 0.830 6.583 1.00 0.00 C ATOM 687 C VAL A 500 1.636 -0.650 6.219 1.00 0.00 C ATOM 688 O VAL A 500 2.591 -1.181 5.650 1.00 0.00 O ATOM 689 CB VAL A 500 1.624 1.667 5.291 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.288 1.491 4.586 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.886 3.133 5.598 1.00 0.00 C ATOM 0 H VAL A 500 3.733 1.001 6.903 1.00 0.00 H new ATOM 0 HA VAL A 500 0.796 1.071 7.192 1.00 0.00 H new ATOM 0 HB VAL A 500 2.409 1.314 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.275 2.090 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.146 0.441 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.517 1.816 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.851 3.710 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.125 3.502 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.870 3.239 6.055 1.00 0.00 H new ATOM 701 N ILE A 501 0.532 -1.311 6.549 1.00 0.00 N ATOM 702 CA ILE A 501 0.375 -2.730 6.255 1.00 0.00 C ATOM 703 C ILE A 501 -0.275 -2.940 4.891 1.00 0.00 C ATOM 704 O ILE A 501 -1.404 -2.508 4.656 1.00 0.00 O ATOM 705 CB ILE A 501 -0.473 -3.437 7.329 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.081 -2.947 8.724 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.307 -4.946 7.226 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.317 -3.350 9.135 1.00 0.00 C ATOM 0 H ILE A 501 -0.267 -0.887 7.020 1.00 0.00 H new ATOM 0 HA ILE A 501 1.375 -3.164 6.249 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.522 -3.194 7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.161 -1.860 8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.792 -3.339 9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.912 -5.432 7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.631 -5.281 6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.741 -5.208 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.527 -2.969 10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.396 -4.437 9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.037 -2.935 8.430 1.00 0.00 H new ATOM 720 N LEU A 502 0.445 -3.607 3.996 1.00 0.00 N ATOM 721 CA LEU A 502 -0.061 -3.877 2.654 1.00 0.00 C ATOM 722 C LEU A 502 -0.213 -5.376 2.421 1.00 0.00 C ATOM 723 O LEU A 502 0.628 -6.170 2.846 1.00 0.00 O ATOM 724 CB LEU A 502 0.876 -3.278 1.604 1.00 0.00 C ATOM 725 CG LEU A 502 2.167 -4.053 1.336 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.755 -3.662 -0.011 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.175 -3.812 2.450 1.00 0.00 C ATOM 0 H LEU A 502 1.381 -3.971 4.175 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.043 -3.413 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.328 -3.189 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.140 -2.268 1.916 1.00 0.00 H new ATOM 0 HG LEU A 502 1.931 -5.117 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.673 -4.224 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.038 -3.887 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.976 -2.595 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.087 -4.371 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.407 -2.748 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.754 -4.143 3.399 1.00 0.00 H new ATOM 739 N PHE A 503 -1.288 -5.758 1.741 1.00 0.00 N ATOM 740 CA PHE A 503 -1.550 -7.163 1.449 1.00 0.00 C ATOM 741 C PHE A 503 -0.828 -7.598 0.177 1.00 0.00 C ATOM 742 O PHE A 503 -0.891 -6.920 -0.848 1.00 0.00 O ATOM 743 CB PHE A 503 -3.054 -7.404 1.303 1.00 0.00 C ATOM 744 CG PHE A 503 -3.418 -8.855 1.171 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.339 -9.706 2.262 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.840 -9.369 -0.045 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.673 -11.042 2.142 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.175 -10.704 -0.171 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.093 -11.541 0.925 1.00 0.00 C ATOM 0 H PHE A 503 -1.993 -5.114 1.381 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.173 -7.757 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.567 -6.986 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.417 -6.865 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.013 -9.321 3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.908 -8.719 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.605 -11.695 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.500 -11.092 -1.125 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.357 -12.584 0.830 1.00 0.00 H new ATOM 759 N SER A 504 -0.141 -8.734 0.253 1.00 0.00 N ATOM 760 CA SER A 504 0.597 -9.258 -0.890 1.00 0.00 C ATOM 761 C SER A 504 -0.310 -10.099 -1.783 1.00 0.00 C ATOM 762 O SER A 504 -1.314 -10.646 -1.327 1.00 0.00 O ATOM 763 CB SER A 504 1.785 -10.097 -0.416 1.00 0.00 C ATOM 764 OG SER A 504 2.649 -10.414 -1.494 1.00 0.00 O ATOM 0 H SER A 504 -0.080 -9.308 1.094 1.00 0.00 H new ATOM 0 HA SER A 504 0.967 -8.413 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.338 -9.551 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.424 -11.015 0.047 1.00 0.00 H new ATOM 0 HG SER A 504 3.401 -10.949 -1.164 1.00 0.00 H new ATOM 770 N ASP A 505 0.051 -10.196 -3.058 1.00 0.00 N ATOM 771 CA ASP A 505 -0.728 -10.971 -4.016 1.00 0.00 C ATOM 772 C ASP A 505 -0.126 -12.359 -4.212 1.00 0.00 C ATOM 773 O ASP A 505 -0.827 -13.308 -4.565 1.00 0.00 O ATOM 774 CB ASP A 505 -0.800 -10.239 -5.358 1.00 0.00 C ATOM 775 CG ASP A 505 -1.840 -9.136 -5.360 1.00 0.00 C ATOM 776 OD1 ASP A 505 -3.028 -9.441 -5.590 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.465 -7.966 -5.133 1.00 0.00 O ATOM 0 H ASP A 505 0.878 -9.747 -3.452 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.736 -11.085 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 505 0.177 -9.814 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.032 -10.954 -6.147 1.00 0.00 H new ATOM 782 N LEU A 506 1.178 -12.470 -3.981 1.00 0.00 N ATOM 783 CA LEU A 506 1.876 -13.742 -4.132 1.00 0.00 C ATOM 784 C LEU A 506 1.802 -14.560 -2.847 1.00 0.00 C ATOM 785 O LEU A 506 1.372 -15.714 -2.855 1.00 0.00 O ATOM 786 CB LEU A 506 3.337 -13.501 -4.514 1.00 0.00 C ATOM 787 CG LEU A 506 3.588 -13.034 -5.948 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.967 -12.404 -6.071 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.442 -14.195 -6.921 1.00 0.00 C ATOM 0 H LEU A 506 1.773 -11.695 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 506 1.387 -14.305 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.752 -12.757 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.891 -14.426 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 506 2.842 -12.280 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.128 -12.078 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.036 -11.546 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.727 -13.137 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.624 -13.844 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.164 -14.972 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.433 -14.602 -6.853 1.00 0.00 H new ATOM 801 N THR A 507 2.223 -13.954 -1.740 1.00 0.00 N ATOM 802 CA THR A 507 2.204 -14.624 -0.447 1.00 0.00 C ATOM 803 C THR A 507 0.809 -14.596 0.167 1.00 0.00 C ATOM 804 O THR A 507 0.561 -15.225 1.195 1.00 0.00 O ATOM 805 CB THR A 507 3.199 -13.978 0.536 1.00 0.00 C ATOM 806 OG1 THR A 507 2.756 -12.661 0.885 1.00 0.00 O ATOM 807 CG2 THR A 507 4.591 -13.906 -0.072 1.00 0.00 C ATOM 0 H THR A 507 2.581 -12.999 -1.715 1.00 0.00 H new ATOM 0 HA THR A 507 2.499 -15.658 -0.623 1.00 0.00 H new ATOM 0 HB THR A 507 3.244 -14.596 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.392 -12.257 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.276 -13.446 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.936 -14.912 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.560 -13.308 -0.983 1.00 0.00 H new ATOM 815 N MET A 508 -0.098 -13.863 -0.471 1.00 0.00 N ATOM 816 CA MET A 508 -1.470 -13.755 0.013 1.00 0.00 C ATOM 817 C MET A 508 -1.497 -13.506 1.518 1.00 0.00 C ATOM 818 O MET A 508 -2.367 -14.016 2.225 1.00 0.00 O ATOM 819 CB MET A 508 -2.252 -15.027 -0.320 1.00 0.00 C ATOM 820 CG MET A 508 -2.236 -15.380 -1.798 1.00 0.00 C ATOM 821 SD MET A 508 -3.499 -16.590 -2.237 1.00 0.00 S ATOM 822 CE MET A 508 -2.526 -18.093 -2.284 1.00 0.00 C ATOM 0 H MET A 508 0.092 -13.336 -1.323 1.00 0.00 H new ATOM 0 HA MET A 508 -1.940 -12.907 -0.486 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.836 -15.859 0.248 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.285 -14.904 0.005 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.386 -14.474 -2.386 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.254 -15.773 -2.063 1.00 0.00 H new ATOM 0 HE1 MET A 508 -3.169 -18.934 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 508 -1.739 -17.994 -3.032 1.00 0.00 H new ATOM 0 HE3 MET A 508 -2.077 -18.267 -1.306 1.00 0.00 H new ATOM 832 N HIS A 509 -0.541 -12.720 2.001 1.00 0.00 N ATOM 833 CA HIS A 509 -0.457 -12.403 3.422 1.00 0.00 C ATOM 834 C HIS A 509 -0.182 -10.917 3.633 1.00 0.00 C ATOM 835 O HIS A 509 0.232 -10.217 2.710 1.00 0.00 O ATOM 836 CB HIS A 509 0.640 -13.236 4.087 1.00 0.00 C ATOM 837 CG HIS A 509 0.469 -14.712 3.899 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.765 -15.327 3.855 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.384 -15.696 3.741 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.601 -16.626 3.680 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.694 -16.876 3.608 1.00 0.00 N ATOM 0 H HIS A 509 0.187 -12.291 1.429 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.416 -12.645 3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.607 -12.936 3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.657 -13.014 5.154 1.00 0.00 H new ATOM 0 HD1 HIS A 509 -1.664 -14.853 3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.457 -15.576 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.391 -17.359 3.608 1.00 0.00 H new ATOM 849 N GLU A 510 -0.416 -10.444 4.853 1.00 0.00 N ATOM 850 CA GLU A 510 -0.195 -9.041 5.183 1.00 0.00 C ATOM 851 C GLU A 510 1.267 -8.790 5.543 1.00 0.00 C ATOM 852 O GLU A 510 1.824 -9.451 6.420 1.00 0.00 O ATOM 853 CB GLU A 510 -1.097 -8.619 6.344 1.00 0.00 C ATOM 854 CG GLU A 510 -2.527 -8.320 5.926 1.00 0.00 C ATOM 855 CD GLU A 510 -3.453 -8.124 7.112 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.494 -9.016 7.985 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.135 -7.080 7.166 1.00 0.00 O ATOM 0 H GLU A 510 -0.758 -11.011 5.629 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.442 -8.445 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -1.104 -9.410 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.674 -7.734 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.541 -7.423 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.900 -9.138 5.310 1.00 0.00 H new ATOM 864 N LEU A 511 1.882 -7.833 4.858 1.00 0.00 N ATOM 865 CA LEU A 511 3.280 -7.494 5.105 1.00 0.00 C ATOM 866 C LEU A 511 3.399 -6.126 5.769 1.00 0.00 C ATOM 867 O LEU A 511 2.761 -5.161 5.348 1.00 0.00 O ATOM 868 CB LEU A 511 4.067 -7.507 3.793 1.00 0.00 C ATOM 869 CG LEU A 511 3.919 -8.763 2.934 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.648 -8.593 1.610 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.440 -9.983 3.679 1.00 0.00 C ATOM 0 H LEU A 511 1.436 -7.278 4.128 1.00 0.00 H new ATOM 0 HA LEU A 511 3.697 -8.242 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.759 -6.647 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.123 -7.372 4.025 1.00 0.00 H new ATOM 0 HG LEU A 511 2.860 -8.915 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.532 -9.497 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.229 -7.744 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.707 -8.416 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.327 -10.868 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.494 -9.840 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.873 -10.116 4.601 1.00 0.00 H new ATOM 883 N LYS A 512 4.223 -6.049 6.809 1.00 0.00 N ATOM 884 CA LYS A 512 4.431 -4.800 7.531 1.00 0.00 C ATOM 885 C LYS A 512 5.746 -4.146 7.120 1.00 0.00 C ATOM 886 O LYS A 512 6.825 -4.659 7.417 1.00 0.00 O ATOM 887 CB LYS A 512 4.424 -5.052 9.040 1.00 0.00 C ATOM 888 CG LYS A 512 4.900 -3.863 9.857 1.00 0.00 C ATOM 889 CD LYS A 512 5.207 -4.259 11.291 1.00 0.00 C ATOM 890 CE LYS A 512 6.201 -3.303 11.933 1.00 0.00 C ATOM 891 NZ LYS A 512 6.347 -3.552 13.394 1.00 0.00 N ATOM 0 H LYS A 512 4.758 -6.838 7.171 1.00 0.00 H new ATOM 0 HA LYS A 512 3.615 -4.123 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.413 -5.315 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.059 -5.911 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.792 -3.438 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.136 -3.086 9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.285 -4.271 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.609 -5.272 11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.171 -3.409 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.874 -2.276 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.314 -3.311 13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 5.666 -2.964 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 6.163 -4.556 13.595 1.00 0.00 H new ATOM 905 N VAL A 513 5.649 -3.010 6.436 1.00 0.00 N ATOM 906 CA VAL A 513 6.832 -2.285 5.987 1.00 0.00 C ATOM 907 C VAL A 513 6.641 -0.779 6.131 1.00 0.00 C ATOM 908 O VAL A 513 5.545 -0.258 5.917 1.00 0.00 O ATOM 909 CB VAL A 513 7.166 -2.611 4.519 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.586 -2.180 4.186 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.973 -4.095 4.246 1.00 0.00 C ATOM 0 H VAL A 513 4.764 -2.572 6.181 1.00 0.00 H new ATOM 0 HA VAL A 513 7.659 -2.606 6.620 1.00 0.00 H new ATOM 0 HB VAL A 513 6.483 -2.055 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.804 -2.418 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.686 -1.106 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.287 -2.707 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.213 -4.308 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.631 -4.673 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.937 -4.369 4.442 1.00 0.00 H new ATOM 921 N LEU A 514 7.713 -0.085 6.493 1.00 0.00 N ATOM 922 CA LEU A 514 7.665 1.363 6.666 1.00 0.00 C ATOM 923 C LEU A 514 7.346 2.058 5.346 1.00 0.00 C ATOM 924 O LEU A 514 7.633 1.549 4.262 1.00 0.00 O ATOM 925 CB LEU A 514 8.997 1.876 7.216 1.00 0.00 C ATOM 926 CG LEU A 514 9.372 1.396 8.619 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.768 1.873 8.990 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.352 1.880 9.639 1.00 0.00 C ATOM 0 H LEU A 514 8.627 -0.501 6.673 1.00 0.00 H new ATOM 0 HA LEU A 514 6.873 1.593 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.789 1.580 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.970 2.966 7.221 1.00 0.00 H new ATOM 0 HG LEU A 514 9.370 0.306 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.018 1.522 9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.490 1.477 8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.798 2.962 8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.635 1.529 10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.322 2.970 9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.367 1.489 9.383 1.00 0.00 H new ATOM 940 N PRO A 515 6.740 3.252 5.436 1.00 0.00 N ATOM 941 CA PRO A 515 6.372 4.044 4.259 1.00 0.00 C ATOM 942 C PRO A 515 7.590 4.607 3.536 1.00 0.00 C ATOM 943 O PRO A 515 7.459 5.284 2.515 1.00 0.00 O ATOM 944 CB PRO A 515 5.526 5.177 4.845 1.00 0.00 C ATOM 945 CG PRO A 515 5.990 5.307 6.255 1.00 0.00 C ATOM 946 CD PRO A 515 6.369 3.920 6.695 1.00 0.00 C ATOM 0 HA PRO A 515 5.850 3.446 3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.672 6.106 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.463 4.942 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.841 5.985 6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.203 5.716 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.199 3.935 7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.539 3.414 7.189 1.00 0.00 H new ATOM 954 N ARG A 516 8.773 4.324 4.070 1.00 0.00 N ATOM 955 CA ARG A 516 10.015 4.804 3.475 1.00 0.00 C ATOM 956 C ARG A 516 10.569 3.788 2.480 1.00 0.00 C ATOM 957 O ARG A 516 11.494 4.085 1.724 1.00 0.00 O ATOM 958 CB ARG A 516 11.052 5.086 4.563 1.00 0.00 C ATOM 959 CG ARG A 516 11.422 3.862 5.384 1.00 0.00 C ATOM 960 CD ARG A 516 12.754 4.048 6.092 1.00 0.00 C ATOM 961 NE ARG A 516 12.600 4.714 7.383 1.00 0.00 N ATOM 962 CZ ARG A 516 13.605 5.281 8.042 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.829 5.263 7.534 1.00 0.00 N ATOM 964 NH2 ARG A 516 13.385 5.868 9.211 1.00 0.00 N ATOM 0 H ARG A 516 8.898 3.765 4.914 1.00 0.00 H new ATOM 0 HA ARG A 516 9.799 5.729 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.953 5.488 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.666 5.857 5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.642 3.667 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.473 2.988 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.225 3.076 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.422 4.633 5.460 1.00 0.00 H new ATOM 0 HE ARG A 516 11.670 4.746 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 516 15.001 4.813 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.598 5.699 8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 516 12.444 5.884 9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 516 14.157 6.303 9.716 1.00 0.00 H new ATOM 978 N ASP A 517 9.998 2.588 2.488 1.00 0.00 N ATOM 979 CA ASP A 517 10.435 1.528 1.587 1.00 0.00 C ATOM 980 C ASP A 517 9.355 1.212 0.557 1.00 0.00 C ATOM 981 O ASP A 517 9.518 0.317 -0.274 1.00 0.00 O ATOM 982 CB ASP A 517 10.786 0.268 2.380 1.00 0.00 C ATOM 983 CG ASP A 517 11.712 0.556 3.545 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.575 1.448 3.409 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.575 -0.112 4.591 1.00 0.00 O ATOM 0 H ASP A 517 9.232 2.325 3.108 1.00 0.00 H new ATOM 0 HA ASP A 517 11.324 1.875 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.870 -0.190 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.257 -0.456 1.716 1.00 0.00 H new ATOM 990 N LEU A 518 8.253 1.950 0.617 1.00 0.00 N ATOM 991 CA LEU A 518 7.145 1.748 -0.310 1.00 0.00 C ATOM 992 C LEU A 518 6.930 2.984 -1.179 1.00 0.00 C ATOM 993 O LEU A 518 7.357 4.083 -0.827 1.00 0.00 O ATOM 994 CB LEU A 518 5.863 1.422 0.459 1.00 0.00 C ATOM 995 CG LEU A 518 5.971 0.307 1.500 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.636 0.099 2.199 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.442 -0.986 0.850 1.00 0.00 C ATOM 0 H LEU A 518 8.102 2.694 1.298 1.00 0.00 H new ATOM 0 HA LEU A 518 7.395 0.909 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.523 2.328 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.091 1.147 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 518 6.707 0.603 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.732 -0.698 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.339 1.021 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.879 -0.176 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.513 -1.768 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.730 -1.287 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.421 -0.830 0.396 1.00 0.00 H new ATOM 1009 N GLN A 519 6.263 2.794 -2.313 1.00 0.00 N ATOM 1010 CA GLN A 519 5.990 3.894 -3.231 1.00 0.00 C ATOM 1011 C GLN A 519 4.716 3.634 -4.028 1.00 0.00 C ATOM 1012 O GLN A 519 4.511 2.538 -4.551 1.00 0.00 O ATOM 1013 CB GLN A 519 7.169 4.096 -4.183 1.00 0.00 C ATOM 1014 CG GLN A 519 7.316 2.988 -5.214 1.00 0.00 C ATOM 1015 CD GLN A 519 8.367 3.300 -6.261 1.00 0.00 C ATOM 1016 OE1 GLN A 519 8.719 4.460 -6.477 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.875 2.264 -6.917 1.00 0.00 N ATOM 0 H GLN A 519 5.902 1.890 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 519 5.849 4.800 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.049 5.048 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.088 4.163 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.578 2.059 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.357 2.825 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 519 8.554 1.319 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.587 2.413 -7.633 1.00 0.00 H new ATOM 1026 N LEU A 520 3.862 4.648 -4.116 1.00 0.00 N ATOM 1027 CA LEU A 520 2.607 4.529 -4.850 1.00 0.00 C ATOM 1028 C LEU A 520 2.862 4.185 -6.314 1.00 0.00 C ATOM 1029 O LEU A 520 3.963 4.389 -6.827 1.00 0.00 O ATOM 1030 CB LEU A 520 1.811 5.832 -4.751 1.00 0.00 C ATOM 1031 CG LEU A 520 0.941 5.994 -3.504 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.209 7.327 -3.534 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.048 4.843 -3.390 1.00 0.00 C ATOM 0 H LEU A 520 4.016 5.561 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 520 2.028 3.721 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.511 6.666 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.170 5.911 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 520 1.589 5.978 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.405 7.425 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.934 8.140 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.428 7.373 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.659 4.975 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.691 4.827 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.496 3.901 -3.321 1.00 0.00 H new ATOM 1045 N CYS A 521 1.838 3.665 -6.981 1.00 0.00 N ATOM 1046 CA CYS A 521 1.951 3.294 -8.387 1.00 0.00 C ATOM 1047 C CYS A 521 1.218 4.295 -9.274 1.00 0.00 C ATOM 1048 O CYS A 521 0.013 4.177 -9.497 1.00 0.00 O ATOM 1049 CB CYS A 521 1.389 1.889 -8.612 1.00 0.00 C ATOM 1050 SG CYS A 521 0.923 1.546 -10.325 1.00 0.00 S ATOM 0 H CYS A 521 0.920 3.491 -6.571 1.00 0.00 H new ATOM 0 HA CYS A 521 3.007 3.303 -8.656 1.00 0.00 H new ATOM 0 HB2 CYS A 521 2.132 1.157 -8.295 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.515 1.752 -7.975 1.00 0.00 H new ATOM 0 HG CYS A 521 0.203 2.527 -10.784 1.00 0.00 H new ATOM 1056 N SER A 522 1.954 5.282 -9.776 1.00 0.00 N ATOM 1057 CA SER A 522 1.373 6.308 -10.634 1.00 0.00 C ATOM 1058 C SER A 522 0.288 7.085 -9.894 1.00 0.00 C ATOM 1059 O SER A 522 -0.825 7.244 -10.393 1.00 0.00 O ATOM 1060 CB SER A 522 0.791 5.675 -11.899 1.00 0.00 C ATOM 1061 OG SER A 522 1.722 4.794 -12.504 1.00 0.00 O ATOM 0 H SER A 522 2.953 5.393 -9.603 1.00 0.00 H new ATOM 0 HA SER A 522 2.165 7.003 -10.915 1.00 0.00 H new ATOM 0 HB2 SER A 522 -0.121 5.131 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 522 0.513 6.457 -12.606 1.00 0.00 H new ATOM 0 HG SER A 522 1.325 4.401 -13.309 1.00 0.00 H new ATOM 1067 N GLU A 523 0.623 7.567 -8.701 1.00 0.00 N ATOM 1068 CA GLU A 523 -0.323 8.326 -7.892 1.00 0.00 C ATOM 1069 C GLU A 523 -1.167 9.250 -8.765 1.00 0.00 C ATOM 1070 O GLU A 523 -2.356 9.442 -8.513 1.00 0.00 O ATOM 1071 CB GLU A 523 0.420 9.145 -6.834 1.00 0.00 C ATOM 1072 CG GLU A 523 1.409 10.139 -7.418 1.00 0.00 C ATOM 1073 CD GLU A 523 0.763 11.463 -7.778 1.00 0.00 C ATOM 1074 OE1 GLU A 523 -0.221 11.844 -7.109 1.00 0.00 O ATOM 1075 OE2 GLU A 523 1.240 12.117 -8.729 1.00 0.00 O ATOM 0 H GLU A 523 1.541 7.445 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.986 7.618 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -0.307 9.683 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 523 0.951 8.465 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.210 10.313 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 523 1.868 9.709 -8.308 1.00 0.00 H new TER 1082 GLU A 523