USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 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 504 SER OG : rot -166:sc= -0.232 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 456 SER OG : rot 23:sc= 1.06 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 22:sc= 0.944 USER MOD Single : A 466 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 477 HIS : no HD1:sc= -2.05 X(o=-2,f=-2.4) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HE2:sc= -1.99 K(o=-2,f=-4.1!) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN :FLIP amide:sc= -0.717 F(o=-1.4,f=-0.72) USER MOD Single : A 521 CYS SG : rot 180:sc= 0 USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -19.500 34.939 -9.548 1.00 0.00 N ATOM 2 CA GLY A 455 -20.014 34.767 -10.894 1.00 0.00 C ATOM 3 C GLY A 455 -21.527 34.694 -10.932 1.00 0.00 C ATOM 4 O GLY A 455 -22.199 35.705 -11.137 1.00 0.00 O ATOM 0 HA2 GLY A 455 -19.678 35.596 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -19.598 33.856 -11.325 1.00 0.00 H new ATOM 8 N SER A 456 -22.065 33.495 -10.736 1.00 0.00 N ATOM 9 CA SER A 456 -23.509 33.292 -10.754 1.00 0.00 C ATOM 10 C SER A 456 -23.880 31.967 -10.095 1.00 0.00 C ATOM 11 O SER A 456 -23.096 31.019 -10.098 1.00 0.00 O ATOM 12 CB SER A 456 -24.032 33.324 -12.191 1.00 0.00 C ATOM 13 OG SER A 456 -24.210 34.656 -12.640 1.00 0.00 O ATOM 0 H SER A 456 -21.523 32.649 -10.563 1.00 0.00 H new ATOM 0 HA SER A 456 -23.972 34.101 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 456 -23.333 32.806 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 456 -24.979 32.788 -12.248 1.00 0.00 H new ATOM 0 HG SER A 456 -23.645 35.258 -12.111 1.00 0.00 H new ATOM 19 N SER A 457 -25.083 31.910 -9.531 1.00 0.00 N ATOM 20 CA SER A 457 -25.558 30.704 -8.864 1.00 0.00 C ATOM 21 C SER A 457 -25.667 29.545 -9.851 1.00 0.00 C ATOM 22 O SER A 457 -26.640 29.439 -10.596 1.00 0.00 O ATOM 23 CB SER A 457 -26.916 30.959 -8.208 1.00 0.00 C ATOM 24 OG SER A 457 -26.868 32.094 -7.361 1.00 0.00 O ATOM 0 H SER A 457 -25.746 32.685 -9.523 1.00 0.00 H new ATOM 0 HA SER A 457 -24.835 30.436 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 457 -27.673 31.108 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 457 -27.215 30.084 -7.632 1.00 0.00 H new ATOM 0 HG SER A 457 -27.749 32.237 -6.955 1.00 0.00 H new ATOM 30 N GLY A 458 -24.660 28.677 -9.849 1.00 0.00 N ATOM 31 CA GLY A 458 -24.661 27.538 -10.748 1.00 0.00 C ATOM 32 C GLY A 458 -23.410 26.692 -10.613 1.00 0.00 C ATOM 33 O GLY A 458 -22.385 26.985 -11.228 1.00 0.00 O ATOM 0 H GLY A 458 -23.844 28.742 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -25.537 26.921 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -24.749 27.890 -11.776 1.00 0.00 H new ATOM 37 N SER A 459 -23.493 25.640 -9.804 1.00 0.00 N ATOM 38 CA SER A 459 -22.357 24.752 -9.586 1.00 0.00 C ATOM 39 C SER A 459 -22.335 23.633 -10.623 1.00 0.00 C ATOM 40 O SER A 459 -23.048 22.639 -10.494 1.00 0.00 O ATOM 41 CB SER A 459 -22.411 24.157 -8.178 1.00 0.00 C ATOM 42 OG SER A 459 -21.954 25.089 -7.213 1.00 0.00 O ATOM 0 H SER A 459 -24.335 25.382 -9.289 1.00 0.00 H new ATOM 0 HA SER A 459 -21.444 25.338 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 459 -23.433 23.859 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 459 -21.799 23.256 -8.137 1.00 0.00 H new ATOM 0 HG SER A 459 -22.000 24.685 -6.321 1.00 0.00 H new ATOM 48 N SER A 460 -21.510 23.804 -11.652 1.00 0.00 N ATOM 49 CA SER A 460 -21.397 22.811 -12.714 1.00 0.00 C ATOM 50 C SER A 460 -20.336 21.769 -12.372 1.00 0.00 C ATOM 51 O SER A 460 -19.142 22.063 -12.362 1.00 0.00 O ATOM 52 CB SER A 460 -21.053 23.490 -14.041 1.00 0.00 C ATOM 53 OG SER A 460 -19.741 24.027 -14.014 1.00 0.00 O ATOM 0 H SER A 460 -20.911 24.620 -11.772 1.00 0.00 H new ATOM 0 HA SER A 460 -22.358 22.307 -12.811 1.00 0.00 H new ATOM 0 HB2 SER A 460 -21.138 22.770 -14.855 1.00 0.00 H new ATOM 0 HB3 SER A 460 -21.771 24.285 -14.243 1.00 0.00 H new ATOM 0 HG SER A 460 -19.217 23.575 -13.320 1.00 0.00 H new ATOM 59 N GLY A 461 -20.783 20.549 -12.093 1.00 0.00 N ATOM 60 CA GLY A 461 -19.861 19.480 -11.754 1.00 0.00 C ATOM 61 C GLY A 461 -19.564 19.420 -10.269 1.00 0.00 C ATOM 62 O GLY A 461 -19.269 20.440 -9.647 1.00 0.00 O ATOM 0 H GLY A 461 -21.767 20.281 -12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -20.280 18.527 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -18.929 19.620 -12.302 1.00 0.00 H new ATOM 66 N GLU A 462 -19.644 18.221 -9.699 1.00 0.00 N ATOM 67 CA GLU A 462 -19.383 18.033 -8.277 1.00 0.00 C ATOM 68 C GLU A 462 -17.945 17.578 -8.043 1.00 0.00 C ATOM 69 O GLU A 462 -17.378 16.837 -8.845 1.00 0.00 O ATOM 70 CB GLU A 462 -20.356 17.010 -7.688 1.00 0.00 C ATOM 71 CG GLU A 462 -21.649 17.622 -7.178 1.00 0.00 C ATOM 72 CD GLU A 462 -22.719 17.703 -8.249 1.00 0.00 C ATOM 73 OE1 GLU A 462 -23.047 16.654 -8.842 1.00 0.00 O ATOM 74 OE2 GLU A 462 -23.229 18.817 -8.494 1.00 0.00 O ATOM 0 H GLU A 462 -19.887 17.367 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 462 -19.528 18.991 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -20.592 16.266 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -19.865 16.484 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -22.021 17.030 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -21.447 18.622 -6.795 1.00 0.00 H new ATOM 81 N PHE A 463 -17.361 18.029 -6.937 1.00 0.00 N ATOM 82 CA PHE A 463 -15.989 17.670 -6.597 1.00 0.00 C ATOM 83 C PHE A 463 -15.961 16.541 -5.571 1.00 0.00 C ATOM 84 O PHE A 463 -16.801 16.461 -4.675 1.00 0.00 O ATOM 85 CB PHE A 463 -15.241 18.889 -6.052 1.00 0.00 C ATOM 86 CG PHE A 463 -16.025 19.667 -5.034 1.00 0.00 C ATOM 87 CD1 PHE A 463 -16.987 20.581 -5.431 1.00 0.00 C ATOM 88 CD2 PHE A 463 -15.800 19.484 -3.679 1.00 0.00 C ATOM 89 CE1 PHE A 463 -17.710 21.299 -4.497 1.00 0.00 C ATOM 90 CE2 PHE A 463 -16.520 20.198 -2.740 1.00 0.00 C ATOM 91 CZ PHE A 463 -17.475 21.108 -3.150 1.00 0.00 C ATOM 0 H PHE A 463 -17.816 18.643 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 463 -15.494 17.325 -7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -14.304 18.560 -5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -14.983 19.548 -6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -17.175 20.735 -6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -15.053 18.775 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -18.458 22.008 -4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -16.336 20.045 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 463 -18.037 21.669 -2.418 1.00 0.00 H new ATOM 101 N PRO A 464 -14.971 15.646 -5.705 1.00 0.00 N ATOM 102 CA PRO A 464 -14.808 14.504 -4.800 1.00 0.00 C ATOM 103 C PRO A 464 -14.367 14.930 -3.404 1.00 0.00 C ATOM 104 O PRO A 464 -13.312 15.540 -3.236 1.00 0.00 O ATOM 105 CB PRO A 464 -13.717 13.669 -5.475 1.00 0.00 C ATOM 106 CG PRO A 464 -12.943 14.646 -6.291 1.00 0.00 C ATOM 107 CD PRO A 464 -13.934 15.679 -6.750 1.00 0.00 C ATOM 0 HA PRO A 464 -15.744 13.965 -4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -13.082 13.177 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -14.147 12.885 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -12.148 15.103 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -12.469 14.155 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -13.477 16.665 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -14.344 15.435 -7.730 1.00 0.00 H new ATOM 115 N ALA A 465 -15.181 14.603 -2.405 1.00 0.00 N ATOM 116 CA ALA A 465 -14.873 14.950 -1.024 1.00 0.00 C ATOM 117 C ALA A 465 -13.372 14.878 -0.761 1.00 0.00 C ATOM 118 O ALA A 465 -12.754 15.866 -0.368 1.00 0.00 O ATOM 119 CB ALA A 465 -15.622 14.031 -0.070 1.00 0.00 C ATOM 0 H ALA A 465 -16.059 14.098 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 465 -15.197 15.977 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -15.383 14.301 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -16.695 14.135 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -15.326 12.998 -0.252 1.00 0.00 H new ATOM 125 N GLN A 466 -12.794 13.701 -0.981 1.00 0.00 N ATOM 126 CA GLN A 466 -11.365 13.501 -0.766 1.00 0.00 C ATOM 127 C GLN A 466 -10.643 13.268 -2.089 1.00 0.00 C ATOM 128 O GLN A 466 -11.117 12.518 -2.942 1.00 0.00 O ATOM 129 CB GLN A 466 -11.130 12.316 0.172 1.00 0.00 C ATOM 130 CG GLN A 466 -9.827 12.406 0.950 1.00 0.00 C ATOM 131 CD GLN A 466 -9.735 11.371 2.055 1.00 0.00 C ATOM 132 OE1 GLN A 466 -10.751 10.907 2.573 1.00 0.00 O ATOM 133 NE2 GLN A 466 -8.513 11.003 2.421 1.00 0.00 N ATOM 0 H GLN A 466 -13.292 12.873 -1.307 1.00 0.00 H new ATOM 0 HA GLN A 466 -10.962 14.404 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -11.960 12.250 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -11.133 11.395 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -8.989 12.276 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -9.734 13.402 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -7.699 11.414 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -8.389 10.310 3.159 1.00 0.00 H new ATOM 142 N GLU A 467 -9.495 13.917 -2.253 1.00 0.00 N ATOM 143 CA GLU A 467 -8.709 13.781 -3.474 1.00 0.00 C ATOM 144 C GLU A 467 -7.447 12.961 -3.220 1.00 0.00 C ATOM 145 O GLU A 467 -6.736 13.182 -2.239 1.00 0.00 O ATOM 146 CB GLU A 467 -8.333 15.160 -4.021 1.00 0.00 C ATOM 147 CG GLU A 467 -9.361 15.735 -4.981 1.00 0.00 C ATOM 148 CD GLU A 467 -8.934 17.069 -5.562 1.00 0.00 C ATOM 149 OE1 GLU A 467 -7.816 17.146 -6.114 1.00 0.00 O ATOM 150 OE2 GLU A 467 -9.719 18.036 -5.466 1.00 0.00 O ATOM 0 H GLU A 467 -9.089 14.542 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 467 -9.318 13.259 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -8.202 15.849 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -7.372 15.090 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -9.531 15.027 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -10.311 15.857 -4.460 1.00 0.00 H new ATOM 157 N LEU A 468 -7.176 12.013 -4.111 1.00 0.00 N ATOM 158 CA LEU A 468 -6.001 11.158 -3.984 1.00 0.00 C ATOM 159 C LEU A 468 -4.737 11.993 -3.805 1.00 0.00 C ATOM 160 O LEU A 468 -4.536 12.989 -4.500 1.00 0.00 O ATOM 161 CB LEU A 468 -5.864 10.261 -5.216 1.00 0.00 C ATOM 162 CG LEU A 468 -6.807 9.060 -5.280 1.00 0.00 C ATOM 163 CD1 LEU A 468 -8.138 9.459 -5.898 1.00 0.00 C ATOM 164 CD2 LEU A 468 -6.171 7.923 -6.066 1.00 0.00 C ATOM 0 H LEU A 468 -7.754 11.817 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 468 -6.130 10.534 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -6.025 10.871 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.838 9.895 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 468 -6.991 8.713 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -8.797 8.591 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -8.600 10.240 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -7.973 9.833 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -6.857 7.077 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -5.956 8.258 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -5.244 7.619 -5.580 1.00 0.00 H new ATOM 176 N ARG A 469 -3.888 11.579 -2.871 1.00 0.00 N ATOM 177 CA ARG A 469 -2.643 12.288 -2.601 1.00 0.00 C ATOM 178 C ARG A 469 -1.470 11.315 -2.520 1.00 0.00 C ATOM 179 O ARG A 469 -1.659 10.109 -2.360 1.00 0.00 O ATOM 180 CB ARG A 469 -2.754 13.079 -1.297 1.00 0.00 C ATOM 181 CG ARG A 469 -3.821 14.161 -1.330 1.00 0.00 C ATOM 182 CD ARG A 469 -3.265 15.478 -1.847 1.00 0.00 C ATOM 183 NE ARG A 469 -3.377 15.587 -3.299 1.00 0.00 N ATOM 184 CZ ARG A 469 -2.609 16.380 -4.038 1.00 0.00 C ATOM 185 NH1 ARG A 469 -1.678 17.130 -3.464 1.00 0.00 N ATOM 186 NH2 ARG A 469 -2.772 16.425 -5.354 1.00 0.00 N ATOM 0 H ARG A 469 -4.039 10.756 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 469 -2.463 12.980 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -2.973 12.390 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -1.790 13.538 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -4.647 13.840 -1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -4.226 14.304 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -3.799 16.305 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -2.218 15.569 -1.556 1.00 0.00 H new ATOM 0 HE ARG A 469 -4.084 15.023 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -1.550 17.099 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -1.090 17.738 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -3.488 15.850 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -2.182 17.034 -5.920 1.00 0.00 H new ATOM 200 N LYS A 470 -0.258 11.848 -2.634 1.00 0.00 N ATOM 201 CA LYS A 470 0.947 11.028 -2.573 1.00 0.00 C ATOM 202 C LYS A 470 0.915 10.103 -1.361 1.00 0.00 C ATOM 203 O LYS A 470 1.423 8.983 -1.409 1.00 0.00 O ATOM 204 CB LYS A 470 2.191 11.918 -2.516 1.00 0.00 C ATOM 205 CG LYS A 470 2.373 12.789 -3.746 1.00 0.00 C ATOM 206 CD LYS A 470 1.670 14.128 -3.590 1.00 0.00 C ATOM 207 CE LYS A 470 2.380 15.224 -4.369 1.00 0.00 C ATOM 208 NZ LYS A 470 3.593 15.714 -3.657 1.00 0.00 N ATOM 0 H LYS A 470 -0.084 12.844 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 470 0.986 10.416 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 470 2.130 12.557 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 470 3.072 11.289 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 470 3.436 12.953 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 470 1.981 12.271 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 470 0.640 14.042 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 470 1.629 14.398 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 470 2.663 14.846 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 470 1.694 16.055 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 4.049 16.460 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 3.320 16.098 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 4.259 14.926 -3.523 1.00 0.00 H new ATOM 222 N TYR A 471 0.314 10.578 -0.275 1.00 0.00 N ATOM 223 CA TYR A 471 0.216 9.793 0.949 1.00 0.00 C ATOM 224 C TYR A 471 -0.412 8.430 0.675 1.00 0.00 C ATOM 225 O TYR A 471 -1.426 8.328 -0.016 1.00 0.00 O ATOM 226 CB TYR A 471 -0.607 10.544 1.997 1.00 0.00 C ATOM 227 CG TYR A 471 -0.189 11.986 2.175 1.00 0.00 C ATOM 228 CD1 TYR A 471 1.070 12.311 2.665 1.00 0.00 C ATOM 229 CD2 TYR A 471 -1.054 13.025 1.852 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.455 13.627 2.829 1.00 0.00 C ATOM 231 CE2 TYR A 471 -0.677 14.344 2.012 1.00 0.00 C ATOM 232 CZ TYR A 471 0.579 14.640 2.501 1.00 0.00 C ATOM 233 OH TYR A 471 0.959 15.953 2.663 1.00 0.00 O ATOM 0 H TYR A 471 -0.112 11.503 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 471 1.225 9.637 1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.659 10.512 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.520 10.028 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.760 11.521 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -2.038 12.797 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 471 2.437 13.862 3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -1.361 15.139 1.756 1.00 0.00 H new ATOM 0 HH TYR A 471 0.227 16.542 2.385 1.00 0.00 H new ATOM 243 N PHE A 472 0.198 7.383 1.221 1.00 0.00 N ATOM 244 CA PHE A 472 -0.299 6.025 1.036 1.00 0.00 C ATOM 245 C PHE A 472 -1.559 5.790 1.865 1.00 0.00 C ATOM 246 O PHE A 472 -1.519 5.806 3.095 1.00 0.00 O ATOM 247 CB PHE A 472 0.776 5.008 1.422 1.00 0.00 C ATOM 248 CG PHE A 472 2.082 5.217 0.710 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.120 5.838 -0.528 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.272 4.793 1.279 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.320 6.032 -1.186 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.475 4.984 0.626 1.00 0.00 C ATOM 253 CZ PHE A 472 4.499 5.604 -0.608 1.00 0.00 C ATOM 0 H PHE A 472 1.038 7.449 1.796 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.548 5.896 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.945 5.061 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.410 4.004 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.201 6.175 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.259 4.308 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.336 6.518 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.396 4.649 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.438 5.754 -1.120 1.00 0.00 H new ATOM 263 N LYS A 473 -2.677 5.572 1.181 1.00 0.00 N ATOM 264 CA LYS A 473 -3.950 5.332 1.852 1.00 0.00 C ATOM 265 C LYS A 473 -4.498 3.953 1.501 1.00 0.00 C ATOM 266 O LYS A 473 -4.168 3.390 0.457 1.00 0.00 O ATOM 267 CB LYS A 473 -4.965 6.410 1.464 1.00 0.00 C ATOM 268 CG LYS A 473 -5.365 6.370 -0.001 1.00 0.00 C ATOM 269 CD LYS A 473 -6.234 7.559 -0.374 1.00 0.00 C ATOM 270 CE LYS A 473 -7.682 7.343 0.040 1.00 0.00 C ATOM 271 NZ LYS A 473 -8.446 6.587 -0.990 1.00 0.00 N ATOM 0 H LYS A 473 -2.728 5.556 0.162 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.779 5.373 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.858 6.295 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.546 7.390 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.470 6.363 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -5.904 5.445 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.848 8.458 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.183 7.725 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.713 6.801 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -8.159 8.308 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -9.428 6.460 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.439 7.116 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -8.006 5.656 -1.134 1.00 0.00 H new ATOM 285 N MET A 474 -5.339 3.414 2.378 1.00 0.00 N ATOM 286 CA MET A 474 -5.935 2.102 2.159 1.00 0.00 C ATOM 287 C MET A 474 -6.690 2.062 0.834 1.00 0.00 C ATOM 288 O MET A 474 -7.414 2.997 0.493 1.00 0.00 O ATOM 289 CB MET A 474 -6.880 1.748 3.309 1.00 0.00 C ATOM 290 CG MET A 474 -7.353 0.304 3.285 1.00 0.00 C ATOM 291 SD MET A 474 -8.526 -0.021 1.954 1.00 0.00 S ATOM 292 CE MET A 474 -9.295 -1.528 2.541 1.00 0.00 C ATOM 0 H MET A 474 -5.623 3.866 3.247 1.00 0.00 H new ATOM 0 HA MET A 474 -5.131 1.367 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.375 1.940 4.256 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.748 2.407 3.271 1.00 0.00 H new ATOM 0 HG2 MET A 474 -6.492 -0.355 3.174 1.00 0.00 H new ATOM 0 HG3 MET A 474 -7.818 0.062 4.241 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.047 -1.856 1.823 1.00 0.00 H new ATOM 0 HE2 MET A 474 -8.537 -2.303 2.653 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.770 -1.343 3.505 1.00 0.00 H new ATOM 302 N GLY A 475 -6.517 0.973 0.091 1.00 0.00 N ATOM 303 CA GLY A 475 -7.188 0.834 -1.188 1.00 0.00 C ATOM 304 C GLY A 475 -6.275 1.135 -2.359 1.00 0.00 C ATOM 305 O GLY A 475 -6.622 0.871 -3.510 1.00 0.00 O ATOM 0 H GLY A 475 -5.924 0.185 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.573 -0.181 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.046 1.505 -1.219 1.00 0.00 H new ATOM 309 N ASP A 476 -5.104 1.691 -2.066 1.00 0.00 N ATOM 310 CA ASP A 476 -4.137 2.030 -3.104 1.00 0.00 C ATOM 311 C ASP A 476 -3.051 0.964 -3.203 1.00 0.00 C ATOM 312 O ASP A 476 -2.769 0.258 -2.235 1.00 0.00 O ATOM 313 CB ASP A 476 -3.507 3.394 -2.818 1.00 0.00 C ATOM 314 CG ASP A 476 -4.373 4.543 -3.293 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.596 4.507 -3.044 1.00 0.00 O ATOM 316 OD2 ASP A 476 -3.828 5.480 -3.915 1.00 0.00 O ATOM 0 H ASP A 476 -4.802 1.916 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.664 2.075 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.333 3.493 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.534 3.451 -3.306 1.00 0.00 H new ATOM 321 N HIS A 477 -2.445 0.852 -4.381 1.00 0.00 N ATOM 322 CA HIS A 477 -1.389 -0.129 -4.608 1.00 0.00 C ATOM 323 C HIS A 477 -0.012 0.509 -4.454 1.00 0.00 C ATOM 324 O HIS A 477 0.247 1.587 -4.990 1.00 0.00 O ATOM 325 CB HIS A 477 -1.526 -0.745 -6.000 1.00 0.00 C ATOM 326 CG HIS A 477 -0.468 -1.757 -6.314 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.438 -1.605 -7.343 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.173 -2.941 -5.728 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.243 -2.651 -7.376 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.894 -3.477 -6.406 1.00 0.00 N ATOM 0 H HIS A 477 -2.667 1.428 -5.193 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.491 -0.915 -3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.505 -1.217 -6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.490 0.050 -6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.682 -3.382 -4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.050 -2.805 -8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.344 -4.368 -6.195 1.00 0.00 H new ATOM 338 N VAL A 478 0.867 -0.162 -3.717 1.00 0.00 N ATOM 339 CA VAL A 478 2.218 0.340 -3.493 1.00 0.00 C ATOM 340 C VAL A 478 3.260 -0.723 -3.822 1.00 0.00 C ATOM 341 O VAL A 478 2.961 -1.917 -3.844 1.00 0.00 O ATOM 342 CB VAL A 478 2.411 0.799 -2.036 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.258 1.690 -1.599 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.547 -0.402 -1.112 1.00 0.00 C ATOM 0 H VAL A 478 0.668 -1.054 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 478 2.353 1.194 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 478 3.331 1.381 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.412 2.004 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.213 2.568 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.322 1.137 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.683 -0.059 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.646 -1.013 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 478 3.410 -0.997 -1.413 1.00 0.00 H new ATOM 354 N LYS A 479 4.487 -0.281 -4.076 1.00 0.00 N ATOM 355 CA LYS A 479 5.577 -1.194 -4.402 1.00 0.00 C ATOM 356 C LYS A 479 6.765 -0.978 -3.469 1.00 0.00 C ATOM 357 O LYS A 479 7.084 0.153 -3.105 1.00 0.00 O ATOM 358 CB LYS A 479 6.015 -0.999 -5.855 1.00 0.00 C ATOM 359 CG LYS A 479 7.389 -1.572 -6.158 1.00 0.00 C ATOM 360 CD LYS A 479 7.838 -1.226 -7.568 1.00 0.00 C ATOM 361 CE LYS A 479 9.264 -1.688 -7.828 1.00 0.00 C ATOM 362 NZ LYS A 479 9.634 -1.564 -9.265 1.00 0.00 N ATOM 0 H LYS A 479 4.752 0.704 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 479 5.215 -2.214 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.282 -1.467 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.016 0.066 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 479 8.112 -1.186 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.367 -2.655 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.166 -1.691 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.770 -0.149 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.953 -1.098 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.373 -2.726 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.613 -1.889 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.993 -2.147 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.555 -0.570 -9.559 1.00 0.00 H new ATOM 376 N VAL A 480 7.416 -2.072 -3.086 1.00 0.00 N ATOM 377 CA VAL A 480 8.570 -2.002 -2.198 1.00 0.00 C ATOM 378 C VAL A 480 9.843 -1.685 -2.974 1.00 0.00 C ATOM 379 O VAL A 480 10.161 -2.347 -3.962 1.00 0.00 O ATOM 380 CB VAL A 480 8.767 -3.322 -1.428 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.805 -3.151 -0.330 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.444 -3.805 -0.852 1.00 0.00 C ATOM 0 H VAL A 480 7.164 -3.017 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 480 8.373 -1.200 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 480 9.132 -4.077 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.930 -4.094 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.756 -2.855 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.474 -2.382 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.602 -4.738 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 480 7.048 -3.053 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.733 -3.970 -1.662 1.00 0.00 H new ATOM 392 N ILE A 481 10.569 -0.668 -2.520 1.00 0.00 N ATOM 393 CA ILE A 481 11.808 -0.264 -3.171 1.00 0.00 C ATOM 394 C ILE A 481 13.015 -0.553 -2.285 1.00 0.00 C ATOM 395 O ILE A 481 14.134 -0.705 -2.773 1.00 0.00 O ATOM 396 CB ILE A 481 11.795 1.234 -3.528 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.584 2.078 -2.269 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.710 1.525 -4.554 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.698 3.567 -2.514 1.00 0.00 C ATOM 0 H ILE A 481 10.320 -0.109 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 481 11.886 -0.847 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 481 12.759 1.497 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.599 1.860 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.317 1.784 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.714 2.588 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.900 0.946 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.738 1.250 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.537 4.103 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.692 3.798 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 481 10.947 3.874 -3.242 1.00 0.00 H new ATOM 411 N ALA A 482 12.778 -0.629 -0.979 1.00 0.00 N ATOM 412 CA ALA A 482 13.844 -0.904 -0.024 1.00 0.00 C ATOM 413 C ALA A 482 13.344 -1.779 1.120 1.00 0.00 C ATOM 414 O ALA A 482 12.149 -2.046 1.233 1.00 0.00 O ATOM 415 CB ALA A 482 14.417 0.398 0.516 1.00 0.00 C ATOM 0 H ALA A 482 11.857 -0.504 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 482 14.633 -1.448 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.212 0.178 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.820 0.987 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.629 0.963 1.015 1.00 0.00 H new ATOM 421 N GLY A 483 14.268 -2.223 1.967 1.00 0.00 N ATOM 422 CA GLY A 483 13.901 -3.065 3.091 1.00 0.00 C ATOM 423 C GLY A 483 14.194 -4.530 2.837 1.00 0.00 C ATOM 424 O GLY A 483 15.098 -4.867 2.073 1.00 0.00 O ATOM 0 H GLY A 483 15.264 -2.015 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.443 -2.738 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.839 -2.941 3.302 1.00 0.00 H new ATOM 428 N ARG A 484 13.428 -5.405 3.482 1.00 0.00 N ATOM 429 CA ARG A 484 13.612 -6.843 3.325 1.00 0.00 C ATOM 430 C ARG A 484 12.782 -7.372 2.159 1.00 0.00 C ATOM 431 O ARG A 484 13.125 -8.386 1.549 1.00 0.00 O ATOM 432 CB ARG A 484 13.224 -7.571 4.613 1.00 0.00 C ATOM 433 CG ARG A 484 13.942 -7.050 5.847 1.00 0.00 C ATOM 434 CD ARG A 484 13.382 -7.667 7.119 1.00 0.00 C ATOM 435 NE ARG A 484 14.027 -7.134 8.316 1.00 0.00 N ATOM 436 CZ ARG A 484 13.774 -7.571 9.544 1.00 0.00 C ATOM 437 NH1 ARG A 484 12.895 -8.545 9.736 1.00 0.00 N ATOM 438 NH2 ARG A 484 14.400 -7.035 10.583 1.00 0.00 N ATOM 0 H ARG A 484 12.675 -5.143 4.118 1.00 0.00 H new ATOM 0 HA ARG A 484 14.665 -7.029 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.148 -7.478 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 484 13.440 -8.633 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 484 15.006 -7.273 5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.846 -5.965 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 484 12.310 -7.479 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.515 -8.748 7.086 1.00 0.00 H new ATOM 0 HE ARG A 484 14.710 -6.385 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 484 12.412 -8.960 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 484 12.702 -8.879 10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 484 15.077 -6.286 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 484 14.204 -7.372 11.526 1.00 0.00 H new ATOM 452 N PHE A 485 11.689 -6.680 1.854 1.00 0.00 N ATOM 453 CA PHE A 485 10.810 -7.082 0.762 1.00 0.00 C ATOM 454 C PHE A 485 11.032 -6.203 -0.466 1.00 0.00 C ATOM 455 O PHE A 485 10.085 -5.853 -1.170 1.00 0.00 O ATOM 456 CB PHE A 485 9.347 -7.002 1.202 1.00 0.00 C ATOM 457 CG PHE A 485 9.067 -7.728 2.487 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.964 -9.110 2.509 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.907 -7.029 3.673 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.706 -9.780 3.690 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.650 -7.694 4.857 1.00 0.00 C ATOM 462 CZ PHE A 485 8.550 -9.071 4.865 1.00 0.00 C ATOM 0 H PHE A 485 11.391 -5.839 2.347 1.00 0.00 H new ATOM 0 HA PHE A 485 11.047 -8.112 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 485 9.067 -5.955 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.716 -7.416 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.087 -9.669 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.984 -5.952 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.626 -10.857 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.528 -7.137 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.350 -9.593 5.789 1.00 0.00 H new ATOM 472 N GLU A 486 12.289 -5.852 -0.715 1.00 0.00 N ATOM 473 CA GLU A 486 12.635 -5.013 -1.857 1.00 0.00 C ATOM 474 C GLU A 486 12.206 -5.671 -3.165 1.00 0.00 C ATOM 475 O GLU A 486 12.818 -6.637 -3.617 1.00 0.00 O ATOM 476 CB GLU A 486 14.141 -4.741 -1.881 1.00 0.00 C ATOM 477 CG GLU A 486 14.657 -4.294 -3.238 1.00 0.00 C ATOM 478 CD GLU A 486 16.172 -4.262 -3.304 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.791 -5.346 -3.274 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.738 -3.152 -3.387 1.00 0.00 O ATOM 0 H GLU A 486 13.084 -6.135 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 486 12.103 -4.067 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.375 -3.975 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.670 -5.645 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.278 -4.967 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.266 -3.302 -3.462 1.00 0.00 H new ATOM 487 N GLY A 487 11.146 -5.140 -3.768 1.00 0.00 N ATOM 488 CA GLY A 487 10.652 -5.687 -5.018 1.00 0.00 C ATOM 489 C GLY A 487 9.234 -6.211 -4.900 1.00 0.00 C ATOM 490 O GLY A 487 8.549 -6.398 -5.906 1.00 0.00 O ATOM 0 H GLY A 487 10.621 -4.341 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.689 -4.917 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.309 -6.494 -5.343 1.00 0.00 H new ATOM 494 N ASP A 488 8.794 -6.450 -3.670 1.00 0.00 N ATOM 495 CA ASP A 488 7.448 -6.956 -3.424 1.00 0.00 C ATOM 496 C ASP A 488 6.416 -5.841 -3.555 1.00 0.00 C ATOM 497 O ASP A 488 6.686 -4.687 -3.224 1.00 0.00 O ATOM 498 CB ASP A 488 7.363 -7.586 -2.033 1.00 0.00 C ATOM 499 CG ASP A 488 6.346 -8.708 -1.967 1.00 0.00 C ATOM 500 OD1 ASP A 488 5.142 -8.428 -2.139 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.755 -9.867 -1.741 1.00 0.00 O ATOM 0 H ASP A 488 9.349 -6.302 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 488 7.230 -7.718 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.343 -7.971 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 488 7.101 -6.818 -1.305 1.00 0.00 H new ATOM 506 N THR A 489 5.230 -6.194 -4.042 1.00 0.00 N ATOM 507 CA THR A 489 4.157 -5.223 -4.220 1.00 0.00 C ATOM 508 C THR A 489 2.834 -5.764 -3.691 1.00 0.00 C ATOM 509 O THR A 489 2.618 -6.974 -3.651 1.00 0.00 O ATOM 510 CB THR A 489 3.986 -4.839 -5.702 1.00 0.00 C ATOM 511 OG1 THR A 489 3.621 -5.993 -6.468 1.00 0.00 O ATOM 512 CG2 THR A 489 5.270 -4.241 -6.257 1.00 0.00 C ATOM 0 H THR A 489 4.988 -7.145 -4.320 1.00 0.00 H new ATOM 0 HA THR A 489 4.437 -4.335 -3.653 1.00 0.00 H new ATOM 0 HB THR A 489 3.196 -4.092 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.512 -5.740 -7.409 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.125 -3.978 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.530 -3.347 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.076 -4.970 -6.174 1.00 0.00 H new ATOM 520 N GLY A 490 1.949 -4.857 -3.285 1.00 0.00 N ATOM 521 CA GLY A 490 0.657 -5.263 -2.764 1.00 0.00 C ATOM 522 C GLY A 490 -0.279 -4.089 -2.555 1.00 0.00 C ATOM 523 O GLY A 490 0.070 -2.946 -2.854 1.00 0.00 O ATOM 0 H GLY A 490 2.104 -3.849 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.197 -5.972 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.798 -5.784 -1.817 1.00 0.00 H new ATOM 527 N LEU A 491 -1.472 -4.370 -2.042 1.00 0.00 N ATOM 528 CA LEU A 491 -2.462 -3.328 -1.795 1.00 0.00 C ATOM 529 C LEU A 491 -2.471 -2.922 -0.325 1.00 0.00 C ATOM 530 O LEU A 491 -2.092 -3.705 0.547 1.00 0.00 O ATOM 531 CB LEU A 491 -3.853 -3.809 -2.212 1.00 0.00 C ATOM 532 CG LEU A 491 -4.247 -3.546 -3.665 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.557 -4.243 -3.998 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.355 -2.051 -3.927 1.00 0.00 C ATOM 0 H LEU A 491 -1.777 -5.310 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.192 -2.457 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.915 -4.882 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.589 -3.332 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.469 -3.952 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.821 -4.044 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.445 -5.317 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.345 -3.868 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.636 -1.883 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.113 -1.621 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.393 -1.577 -3.730 1.00 0.00 H new ATOM 546 N ILE A 492 -2.908 -1.697 -0.057 1.00 0.00 N ATOM 547 CA ILE A 492 -2.970 -1.190 1.309 1.00 0.00 C ATOM 548 C ILE A 492 -4.285 -1.572 1.978 1.00 0.00 C ATOM 549 O ILE A 492 -5.364 -1.240 1.487 1.00 0.00 O ATOM 550 CB ILE A 492 -2.813 0.342 1.348 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.501 0.759 0.680 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.866 0.843 2.783 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.344 2.257 0.540 1.00 0.00 C ATOM 0 H ILE A 492 -3.225 -1.037 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.143 -1.646 1.853 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.639 0.792 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.666 0.367 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.444 0.302 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.754 1.927 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.824 0.573 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -2.058 0.389 3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.392 2.480 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.159 2.653 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.368 2.719 1.527 1.00 0.00 H new ATOM 565 N VAL A 493 -4.188 -2.271 3.105 1.00 0.00 N ATOM 566 CA VAL A 493 -5.370 -2.697 3.845 1.00 0.00 C ATOM 567 C VAL A 493 -5.464 -1.982 5.188 1.00 0.00 C ATOM 568 O VAL A 493 -6.557 -1.677 5.665 1.00 0.00 O ATOM 569 CB VAL A 493 -5.365 -4.218 4.084 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.834 -4.956 2.839 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.979 -4.687 4.501 1.00 0.00 C ATOM 0 H VAL A 493 -3.303 -2.554 3.525 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.236 -2.436 3.236 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.059 -4.443 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.824 -6.030 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.847 -4.641 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -5.168 -4.727 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.994 -5.764 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.263 -4.450 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.686 -4.183 5.422 1.00 0.00 H new ATOM 581 N ARG A 494 -4.311 -1.718 5.794 1.00 0.00 N ATOM 582 CA ARG A 494 -4.263 -1.040 7.083 1.00 0.00 C ATOM 583 C ARG A 494 -3.066 -0.096 7.157 1.00 0.00 C ATOM 584 O ARG A 494 -1.920 -0.517 6.998 1.00 0.00 O ATOM 585 CB ARG A 494 -4.191 -2.062 8.219 1.00 0.00 C ATOM 586 CG ARG A 494 -4.434 -1.463 9.594 1.00 0.00 C ATOM 587 CD ARG A 494 -4.300 -2.510 10.690 1.00 0.00 C ATOM 588 NE ARG A 494 -4.444 -1.929 12.022 1.00 0.00 N ATOM 589 CZ ARG A 494 -4.251 -2.611 13.145 1.00 0.00 C ATOM 590 NH1 ARG A 494 -3.908 -3.891 13.097 1.00 0.00 N ATOM 591 NH2 ARG A 494 -4.402 -2.013 14.320 1.00 0.00 N ATOM 0 H ARG A 494 -3.397 -1.964 5.412 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.175 -0.452 7.190 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.927 -2.846 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.210 -2.537 8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.723 -0.656 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.431 -1.023 9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.056 -3.282 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.328 -2.996 10.610 1.00 0.00 H new ATOM 0 HE ARG A 494 -4.707 -0.946 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -3.792 -4.354 12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -3.760 -4.412 13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -4.667 -1.029 14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -4.254 -2.538 15.182 1.00 0.00 H new ATOM 605 N VAL A 495 -3.340 1.182 7.399 1.00 0.00 N ATOM 606 CA VAL A 495 -2.287 2.185 7.494 1.00 0.00 C ATOM 607 C VAL A 495 -2.099 2.650 8.934 1.00 0.00 C ATOM 608 O VAL A 495 -3.065 2.983 9.619 1.00 0.00 O ATOM 609 CB VAL A 495 -2.593 3.407 6.608 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.515 4.467 6.769 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.728 2.988 5.152 1.00 0.00 C ATOM 0 H VAL A 495 -4.283 1.547 7.533 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.369 1.713 7.144 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.542 3.838 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.748 5.323 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.472 4.787 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.550 4.052 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -2.944 3.864 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.796 2.532 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.540 2.268 5.054 1.00 0.00 H new ATOM 621 N GLU A 496 -0.849 2.670 9.386 1.00 0.00 N ATOM 622 CA GLU A 496 -0.535 3.094 10.745 1.00 0.00 C ATOM 623 C GLU A 496 0.492 4.222 10.740 1.00 0.00 C ATOM 624 O GLU A 496 1.292 4.342 9.812 1.00 0.00 O ATOM 625 CB GLU A 496 -0.008 1.913 11.563 1.00 0.00 C ATOM 626 CG GLU A 496 -0.789 0.627 11.347 1.00 0.00 C ATOM 627 CD GLU A 496 -0.717 -0.306 12.540 1.00 0.00 C ATOM 628 OE1 GLU A 496 -0.669 0.194 13.683 1.00 0.00 O ATOM 629 OE2 GLU A 496 -0.708 -1.537 12.330 1.00 0.00 O ATOM 0 H GLU A 496 -0.038 2.398 8.831 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.452 3.464 11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.037 1.741 11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 496 -0.037 2.173 12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.832 0.870 11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.402 0.115 10.466 1.00 0.00 H new ATOM 636 N GLU A 497 0.463 5.046 11.782 1.00 0.00 N ATOM 637 CA GLU A 497 1.391 6.165 11.897 1.00 0.00 C ATOM 638 C GLU A 497 2.837 5.676 11.893 1.00 0.00 C ATOM 639 O GLU A 497 3.744 6.392 11.473 1.00 0.00 O ATOM 640 CB GLU A 497 1.113 6.958 13.175 1.00 0.00 C ATOM 641 CG GLU A 497 2.016 8.168 13.349 1.00 0.00 C ATOM 642 CD GLU A 497 1.392 9.241 14.222 1.00 0.00 C ATOM 643 OE1 GLU A 497 0.946 8.909 15.340 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.350 10.410 13.786 1.00 0.00 O ATOM 0 H GLU A 497 -0.193 4.960 12.559 1.00 0.00 H new ATOM 0 HA GLU A 497 1.243 6.816 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.074 7.288 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.233 6.299 14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.961 7.851 13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 497 2.246 8.589 12.370 1.00 0.00 H new ATOM 651 N ASN A 498 3.041 4.450 12.364 1.00 0.00 N ATOM 652 CA ASN A 498 4.376 3.864 12.417 1.00 0.00 C ATOM 653 C ASN A 498 4.743 3.226 11.080 1.00 0.00 C ATOM 654 O ASN A 498 5.709 3.629 10.432 1.00 0.00 O ATOM 655 CB ASN A 498 4.454 2.820 13.532 1.00 0.00 C ATOM 656 CG ASN A 498 4.842 3.427 14.866 1.00 0.00 C ATOM 657 OD1 ASN A 498 5.996 3.798 15.080 1.00 0.00 O ATOM 658 ND2 ASN A 498 3.877 3.530 15.773 1.00 0.00 N ATOM 0 H ASN A 498 2.300 3.843 12.714 1.00 0.00 H new ATOM 0 HA ASN A 498 5.088 4.662 12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.489 2.323 13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.180 2.055 13.259 1.00 0.00 H new ATOM 0 HD21 ASN A 498 4.079 3.929 16.690 1.00 0.00 H new ATOM 0 HD22 ASN A 498 2.934 3.210 15.553 1.00 0.00 H new ATOM 665 N PHE A 499 3.965 2.228 10.674 1.00 0.00 N ATOM 666 CA PHE A 499 4.207 1.534 9.415 1.00 0.00 C ATOM 667 C PHE A 499 2.896 1.255 8.686 1.00 0.00 C ATOM 668 O PHE A 499 1.813 1.509 9.214 1.00 0.00 O ATOM 669 CB PHE A 499 4.953 0.222 9.668 1.00 0.00 C ATOM 670 CG PHE A 499 4.645 -0.396 11.002 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.445 -1.056 11.214 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.555 -0.316 12.044 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.159 -1.624 12.441 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.274 -0.882 13.273 1.00 0.00 C ATOM 675 CZ PHE A 499 4.075 -1.538 13.471 1.00 0.00 C ATOM 0 H PHE A 499 3.162 1.882 11.199 1.00 0.00 H new ATOM 0 HA PHE A 499 4.821 2.178 8.786 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.700 -0.488 8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.025 0.404 9.600 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.726 -1.127 10.412 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.495 0.195 11.894 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.220 -2.135 12.594 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.991 -0.811 14.078 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.854 -1.983 14.430 1.00 0.00 H new ATOM 685 N VAL A 500 3.002 0.730 7.470 1.00 0.00 N ATOM 686 CA VAL A 500 1.826 0.415 6.668 1.00 0.00 C ATOM 687 C VAL A 500 1.739 -1.080 6.383 1.00 0.00 C ATOM 688 O VAL A 500 2.739 -1.718 6.052 1.00 0.00 O ATOM 689 CB VAL A 500 1.836 1.182 5.332 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.538 0.951 4.574 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.066 2.666 5.571 1.00 0.00 C ATOM 0 H VAL A 500 3.891 0.514 7.018 1.00 0.00 H new ATOM 0 HA VAL A 500 0.956 0.722 7.248 1.00 0.00 H new ATOM 0 HB VAL A 500 2.657 0.804 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.563 1.501 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.420 -0.113 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.302 1.300 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.070 3.192 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.268 3.061 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.025 2.810 6.069 1.00 0.00 H new ATOM 701 N ILE A 501 0.537 -1.632 6.512 1.00 0.00 N ATOM 702 CA ILE A 501 0.320 -3.053 6.267 1.00 0.00 C ATOM 703 C ILE A 501 -0.401 -3.278 4.942 1.00 0.00 C ATOM 704 O ILE A 501 -1.589 -2.980 4.810 1.00 0.00 O ATOM 705 CB ILE A 501 -0.498 -3.701 7.399 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.042 -3.264 8.763 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.468 -5.217 7.273 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.379 -3.882 9.110 1.00 0.00 C ATOM 0 H ILE A 501 -0.301 -1.118 6.784 1.00 0.00 H new ATOM 0 HA ILE A 501 1.304 -3.520 6.227 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.533 -3.369 7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.138 -2.178 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.682 -3.529 9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.051 -5.661 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.894 -5.511 6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.562 -5.567 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.700 -3.528 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.284 -4.968 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.117 -3.596 8.361 1.00 0.00 H new ATOM 720 N LEU A 502 0.325 -3.806 3.962 1.00 0.00 N ATOM 721 CA LEU A 502 -0.246 -4.073 2.646 1.00 0.00 C ATOM 722 C LEU A 502 -0.429 -5.571 2.427 1.00 0.00 C ATOM 723 O LEU A 502 0.406 -6.377 2.839 1.00 0.00 O ATOM 724 CB LEU A 502 0.652 -3.492 1.552 1.00 0.00 C ATOM 725 CG LEU A 502 1.979 -4.214 1.319 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.537 -3.874 -0.055 1.00 0.00 C ATOM 727 CD2 LEU A 502 2.981 -3.854 2.407 1.00 0.00 C ATOM 0 H LEU A 502 1.309 -4.057 4.054 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.224 -3.595 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.094 -3.489 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 502 0.866 -2.452 1.799 1.00 0.00 H new ATOM 0 HG LEU A 502 1.798 -5.288 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.482 -4.397 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.827 -4.182 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.702 -2.799 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 502 3.920 -4.377 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.157 -2.778 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.584 -4.148 3.379 1.00 0.00 H new ATOM 739 N PHE A 503 -1.526 -5.938 1.773 1.00 0.00 N ATOM 740 CA PHE A 503 -1.819 -7.340 1.497 1.00 0.00 C ATOM 741 C PHE A 503 -1.108 -7.804 0.229 1.00 0.00 C ATOM 742 O PHE A 503 -1.273 -7.216 -0.839 1.00 0.00 O ATOM 743 CB PHE A 503 -3.328 -7.549 1.355 1.00 0.00 C ATOM 744 CG PHE A 503 -3.718 -8.986 1.155 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.717 -9.872 2.221 1.00 0.00 C ATOM 746 CD2 PHE A 503 -4.085 -9.450 -0.097 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.075 -11.194 2.040 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.444 -10.772 -0.284 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.440 -11.645 0.786 1.00 0.00 C ATOM 0 H PHE A 503 -2.227 -5.284 1.424 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.454 -7.934 2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.825 -7.167 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.690 -6.962 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.433 -9.525 3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -4.091 -8.771 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.070 -11.875 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.727 -11.122 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.722 -12.678 0.643 1.00 0.00 H new ATOM 759 N SER A 504 -0.316 -8.864 0.357 1.00 0.00 N ATOM 760 CA SER A 504 0.425 -9.406 -0.776 1.00 0.00 C ATOM 761 C SER A 504 -0.497 -10.198 -1.698 1.00 0.00 C ATOM 762 O SER A 504 -1.532 -10.709 -1.270 1.00 0.00 O ATOM 763 CB SER A 504 1.566 -10.299 -0.287 1.00 0.00 C ATOM 764 OG SER A 504 2.092 -11.081 -1.346 1.00 0.00 O ATOM 0 H SER A 504 -0.171 -9.364 1.234 1.00 0.00 H new ATOM 0 HA SER A 504 0.843 -8.571 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.356 -9.683 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.206 -10.952 0.507 1.00 0.00 H new ATOM 0 HG SER A 504 2.657 -11.792 -0.978 1.00 0.00 H new ATOM 770 N ASP A 505 -0.113 -10.296 -2.966 1.00 0.00 N ATOM 771 CA ASP A 505 -0.903 -11.027 -3.950 1.00 0.00 C ATOM 772 C ASP A 505 -0.297 -12.400 -4.223 1.00 0.00 C ATOM 773 O ASP A 505 -0.999 -13.334 -4.613 1.00 0.00 O ATOM 774 CB ASP A 505 -0.999 -10.230 -5.253 1.00 0.00 C ATOM 775 CG ASP A 505 -1.675 -8.886 -5.061 1.00 0.00 C ATOM 776 OD1 ASP A 505 -2.755 -8.850 -4.435 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.125 -7.872 -5.538 1.00 0.00 O ATOM 0 H ASP A 505 0.741 -9.878 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.905 -11.166 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 505 0.002 -10.076 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.553 -10.810 -5.991 1.00 0.00 H new ATOM 782 N LEU A 506 1.010 -12.515 -4.016 1.00 0.00 N ATOM 783 CA LEU A 506 1.712 -13.774 -4.241 1.00 0.00 C ATOM 784 C LEU A 506 1.674 -14.649 -2.992 1.00 0.00 C ATOM 785 O LEU A 506 1.190 -15.780 -3.027 1.00 0.00 O ATOM 786 CB LEU A 506 3.162 -13.507 -4.647 1.00 0.00 C ATOM 787 CG LEU A 506 3.378 -12.998 -6.072 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.803 -12.497 -6.251 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.065 -14.093 -7.082 1.00 0.00 C ATOM 0 H LEU A 506 1.605 -11.752 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 506 1.207 -14.304 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.584 -12.778 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.729 -14.430 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 506 2.698 -12.164 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 506 4.937 -12.139 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 506 4.993 -11.682 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.502 -13.311 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.224 -13.713 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.720 -14.947 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.026 -14.404 -6.971 1.00 0.00 H new ATOM 801 N THR A 507 2.187 -14.116 -1.887 1.00 0.00 N ATOM 802 CA THR A 507 2.211 -14.847 -0.626 1.00 0.00 C ATOM 803 C THR A 507 0.855 -14.789 0.069 1.00 0.00 C ATOM 804 O THR A 507 0.696 -15.291 1.181 1.00 0.00 O ATOM 805 CB THR A 507 3.287 -14.291 0.325 1.00 0.00 C ATOM 806 OG1 THR A 507 3.044 -12.903 0.582 1.00 0.00 O ATOM 807 CG2 THR A 507 4.677 -14.466 -0.268 1.00 0.00 C ATOM 0 H THR A 507 2.591 -13.181 -1.840 1.00 0.00 H new ATOM 0 HA THR A 507 2.449 -15.883 -0.866 1.00 0.00 H new ATOM 0 HB THR A 507 3.236 -14.848 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.732 -12.557 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.420 -14.066 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.871 -15.526 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.738 -13.932 -1.216 1.00 0.00 H new ATOM 815 N MET A 508 -0.119 -14.175 -0.594 1.00 0.00 N ATOM 816 CA MET A 508 -1.462 -14.054 -0.040 1.00 0.00 C ATOM 817 C MET A 508 -1.411 -13.872 1.474 1.00 0.00 C ATOM 818 O MET A 508 -2.113 -14.559 2.216 1.00 0.00 O ATOM 819 CB MET A 508 -2.294 -15.289 -0.389 1.00 0.00 C ATOM 820 CG MET A 508 -2.311 -15.611 -1.874 1.00 0.00 C ATOM 821 SD MET A 508 -3.456 -16.942 -2.284 1.00 0.00 S ATOM 822 CE MET A 508 -3.263 -17.020 -4.063 1.00 0.00 C ATOM 0 H MET A 508 -0.003 -13.754 -1.516 1.00 0.00 H new ATOM 0 HA MET A 508 -1.931 -13.173 -0.479 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.901 -16.147 0.156 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.318 -15.136 -0.047 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.585 -14.716 -2.433 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.307 -15.890 -2.193 1.00 0.00 H new ATOM 0 HE1 MET A 508 -3.910 -17.800 -4.465 1.00 0.00 H new ATOM 0 HE2 MET A 508 -3.536 -16.060 -4.501 1.00 0.00 H new ATOM 0 HE3 MET A 508 -2.225 -17.248 -4.307 1.00 0.00 H new ATOM 832 N HIS A 509 -0.575 -12.942 1.926 1.00 0.00 N ATOM 833 CA HIS A 509 -0.433 -12.670 3.352 1.00 0.00 C ATOM 834 C HIS A 509 -0.314 -11.171 3.609 1.00 0.00 C ATOM 835 O HIS A 509 -0.303 -10.370 2.675 1.00 0.00 O ATOM 836 CB HIS A 509 0.792 -13.394 3.911 1.00 0.00 C ATOM 837 CG HIS A 509 0.628 -14.881 3.981 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.600 -15.499 4.086 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.547 -15.875 3.958 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.430 -16.809 4.127 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.864 -17.063 4.050 1.00 0.00 N ATOM 0 H HIS A 509 0.014 -12.365 1.326 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.325 -13.038 3.858 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.657 -13.161 3.290 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.005 -13.013 4.910 1.00 0.00 H new ATOM 0 HD1 HIS A 509 -1.500 -15.020 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.618 -15.756 3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.215 -17.546 4.209 1.00 0.00 H new ATOM 849 N GLU A 510 -0.226 -10.799 4.883 1.00 0.00 N ATOM 850 CA GLU A 510 -0.110 -9.396 5.262 1.00 0.00 C ATOM 851 C GLU A 510 1.351 -9.010 5.478 1.00 0.00 C ATOM 852 O GLU A 510 2.045 -9.599 6.307 1.00 0.00 O ATOM 853 CB GLU A 510 -0.914 -9.120 6.534 1.00 0.00 C ATOM 854 CG GLU A 510 -2.394 -8.887 6.279 1.00 0.00 C ATOM 855 CD GLU A 510 -3.261 -9.313 7.449 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.048 -8.796 8.565 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.154 -10.162 7.246 1.00 0.00 O ATOM 0 H GLU A 510 -0.233 -11.449 5.669 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.512 -8.792 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.800 -9.962 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.498 -8.246 7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.562 -7.830 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.697 -9.437 5.388 1.00 0.00 H new ATOM 864 N LEU A 511 1.811 -8.017 4.724 1.00 0.00 N ATOM 865 CA LEU A 511 3.190 -7.552 4.831 1.00 0.00 C ATOM 866 C LEU A 511 3.261 -6.233 5.594 1.00 0.00 C ATOM 867 O LEU A 511 2.408 -5.361 5.429 1.00 0.00 O ATOM 868 CB LEU A 511 3.801 -7.383 3.439 1.00 0.00 C ATOM 869 CG LEU A 511 3.594 -8.547 2.469 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.213 -8.232 1.117 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.181 -9.829 3.041 1.00 0.00 C ATOM 0 H LEU A 511 1.250 -7.519 4.033 1.00 0.00 H new ATOM 0 HA LEU A 511 3.759 -8.301 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.384 -6.482 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.872 -7.217 3.552 1.00 0.00 H new ATOM 0 HG LEU A 511 2.523 -8.692 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.056 -9.072 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.746 -7.339 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.282 -8.059 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.024 -10.647 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.249 -9.696 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.690 -10.064 3.985 1.00 0.00 H new ATOM 883 N LYS A 512 4.286 -6.092 6.427 1.00 0.00 N ATOM 884 CA LYS A 512 4.473 -4.878 7.213 1.00 0.00 C ATOM 885 C LYS A 512 5.786 -4.192 6.852 1.00 0.00 C ATOM 886 O LYS A 512 6.860 -4.782 6.973 1.00 0.00 O ATOM 887 CB LYS A 512 4.451 -5.206 8.708 1.00 0.00 C ATOM 888 CG LYS A 512 4.938 -4.067 9.587 1.00 0.00 C ATOM 889 CD LYS A 512 6.444 -4.121 9.787 1.00 0.00 C ATOM 890 CE LYS A 512 6.861 -3.420 11.071 1.00 0.00 C ATOM 891 NZ LYS A 512 8.237 -2.859 10.974 1.00 0.00 N ATOM 0 H LYS A 512 5.001 -6.804 6.576 1.00 0.00 H new ATOM 0 HA LYS A 512 3.653 -4.197 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.434 -5.469 8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.071 -6.084 8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 512 4.664 -3.114 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.440 -4.115 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.771 -5.160 9.816 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.942 -3.653 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.157 -2.618 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.814 -4.124 11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.484 -2.390 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 8.913 -3.627 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 8.276 -2.168 10.198 1.00 0.00 H new ATOM 905 N VAL A 513 5.694 -2.943 6.407 1.00 0.00 N ATOM 906 CA VAL A 513 6.875 -2.176 6.030 1.00 0.00 C ATOM 907 C VAL A 513 6.622 -0.678 6.160 1.00 0.00 C ATOM 908 O VAL A 513 5.511 -0.202 5.921 1.00 0.00 O ATOM 909 CB VAL A 513 7.310 -2.489 4.586 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.684 -1.902 4.304 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.302 -3.990 4.341 1.00 0.00 C ATOM 0 H VAL A 513 4.813 -2.441 6.299 1.00 0.00 H new ATOM 0 HA VAL A 513 7.673 -2.467 6.713 1.00 0.00 H new ATOM 0 HB VAL A 513 6.597 -2.029 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.975 -2.133 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.652 -0.821 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.411 -2.331 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.612 -4.193 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.992 -4.475 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.296 -4.379 4.500 1.00 0.00 H new ATOM 921 N LEU A 514 7.659 0.061 6.539 1.00 0.00 N ATOM 922 CA LEU A 514 7.550 1.507 6.701 1.00 0.00 C ATOM 923 C LEU A 514 7.207 2.178 5.375 1.00 0.00 C ATOM 924 O LEU A 514 7.565 1.700 4.298 1.00 0.00 O ATOM 925 CB LEU A 514 8.857 2.078 7.252 1.00 0.00 C ATOM 926 CG LEU A 514 9.310 1.532 8.606 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.719 2.004 8.928 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.341 1.952 9.702 1.00 0.00 C ATOM 0 H LEU A 514 8.585 -0.317 6.740 1.00 0.00 H new ATOM 0 HA LEU A 514 6.746 1.710 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.647 1.891 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.751 3.160 7.336 1.00 0.00 H new ATOM 0 HG LEU A 514 9.317 0.443 8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.024 1.605 9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.405 1.652 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.739 3.093 8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.679 1.554 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.301 3.040 9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.348 1.563 9.478 1.00 0.00 H new ATOM 940 N PRO A 515 6.498 3.314 5.452 1.00 0.00 N ATOM 941 CA PRO A 515 6.094 4.078 4.268 1.00 0.00 C ATOM 942 C PRO A 515 7.278 4.748 3.578 1.00 0.00 C ATOM 943 O PRO A 515 7.117 5.412 2.555 1.00 0.00 O ATOM 944 CB PRO A 515 5.139 5.131 4.834 1.00 0.00 C ATOM 945 CG PRO A 515 5.552 5.293 6.256 1.00 0.00 C ATOM 946 CD PRO A 515 6.037 3.941 6.702 1.00 0.00 C ATOM 0 HA PRO A 515 5.645 3.441 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.219 6.072 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.101 4.806 4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.339 6.041 6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 515 4.716 5.630 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 515 6.843 4.024 7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.241 3.363 7.171 1.00 0.00 H new ATOM 954 N ARG A 516 8.466 4.568 4.146 1.00 0.00 N ATOM 955 CA ARG A 516 9.677 5.157 3.586 1.00 0.00 C ATOM 956 C ARG A 516 10.321 4.214 2.573 1.00 0.00 C ATOM 957 O ARG A 516 11.238 4.600 1.847 1.00 0.00 O ATOM 958 CB ARG A 516 10.673 5.484 4.699 1.00 0.00 C ATOM 959 CG ARG A 516 11.110 4.269 5.502 1.00 0.00 C ATOM 960 CD ARG A 516 11.722 4.673 6.834 1.00 0.00 C ATOM 961 NE ARG A 516 13.050 5.258 6.672 1.00 0.00 N ATOM 962 CZ ARG A 516 13.657 5.976 7.610 1.00 0.00 C ATOM 963 NH1 ARG A 516 13.058 6.195 8.773 1.00 0.00 N ATOM 964 NH2 ARG A 516 14.866 6.476 7.387 1.00 0.00 N ATOM 0 H ARG A 516 8.616 4.020 4.993 1.00 0.00 H new ATOM 0 HA ARG A 516 9.400 6.079 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.553 5.955 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.224 6.213 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.253 3.619 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.835 3.693 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 516 11.068 5.390 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 516 11.788 3.799 7.482 1.00 0.00 H new ATOM 0 HE ARG A 516 13.539 5.107 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 516 12.129 5.812 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 516 13.526 6.747 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 516 15.330 6.309 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 516 15.331 7.027 8.108 1.00 0.00 H new ATOM 978 N ASP A 517 9.835 2.979 2.531 1.00 0.00 N ATOM 979 CA ASP A 517 10.363 1.981 1.607 1.00 0.00 C ATOM 980 C ASP A 517 9.298 1.554 0.602 1.00 0.00 C ATOM 981 O ASP A 517 9.469 0.571 -0.120 1.00 0.00 O ATOM 982 CB ASP A 517 10.874 0.762 2.377 1.00 0.00 C ATOM 983 CG ASP A 517 11.665 1.147 3.611 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.890 1.356 3.488 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.060 1.237 4.700 1.00 0.00 O ATOM 0 H ASP A 517 9.077 2.644 3.125 1.00 0.00 H new ATOM 0 HA ASP A 517 11.193 2.430 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.028 0.140 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.501 0.158 1.721 1.00 0.00 H new ATOM 990 N LEU A 518 8.198 2.298 0.561 1.00 0.00 N ATOM 991 CA LEU A 518 7.104 1.996 -0.355 1.00 0.00 C ATOM 992 C LEU A 518 6.850 3.163 -1.303 1.00 0.00 C ATOM 993 O LEU A 518 7.214 4.302 -1.012 1.00 0.00 O ATOM 994 CB LEU A 518 5.830 1.675 0.429 1.00 0.00 C ATOM 995 CG LEU A 518 5.972 0.641 1.547 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.608 0.268 2.106 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.699 -0.596 1.039 1.00 0.00 C ATOM 0 H LEU A 518 8.040 3.115 1.151 1.00 0.00 H new ATOM 0 HA LEU A 518 7.388 1.126 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.452 2.600 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.075 1.320 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 518 6.562 1.081 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.729 -0.469 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.124 1.158 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.992 -0.153 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.791 -1.321 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 518 6.135 -1.038 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.692 -0.316 0.688 1.00 0.00 H new ATOM 1009 N GLN A 519 6.222 2.871 -2.438 1.00 0.00 N ATOM 1010 CA GLN A 519 5.919 3.897 -3.428 1.00 0.00 C ATOM 1011 C GLN A 519 4.638 3.561 -4.185 1.00 0.00 C ATOM 1012 O GLN A 519 4.387 2.402 -4.518 1.00 0.00 O ATOM 1013 CB GLN A 519 7.081 4.048 -4.411 1.00 0.00 C ATOM 1014 CG GLN A 519 7.234 2.868 -5.358 1.00 0.00 C ATOM 1015 CD GLN A 519 8.128 3.182 -6.541 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.020 2.255 -6.871 1.00 0.00 O flip ATOM 1017 NE2 GLN A 519 8.019 4.245 -7.152 1.00 0.00 N flip ATOM 0 H GLN A 519 5.914 1.933 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 519 5.773 4.841 -2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.936 4.956 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.007 4.175 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.645 2.019 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.251 2.568 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 519 7.320 4.929 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.628 4.441 -7.946 1.00 0.00 H new ATOM 1026 N LEU A 520 3.831 4.582 -4.454 1.00 0.00 N ATOM 1027 CA LEU A 520 2.575 4.395 -5.173 1.00 0.00 C ATOM 1028 C LEU A 520 2.831 3.992 -6.621 1.00 0.00 C ATOM 1029 O LEU A 520 3.847 4.363 -7.209 1.00 0.00 O ATOM 1030 CB LEU A 520 1.743 5.678 -5.127 1.00 0.00 C ATOM 1031 CG LEU A 520 0.783 5.814 -3.945 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.078 7.161 -3.982 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.230 4.679 -3.946 1.00 0.00 C ATOM 0 H LEU A 520 4.024 5.547 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 520 2.021 3.593 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.424 6.529 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.165 5.745 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 520 1.362 5.755 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.601 7.240 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.817 7.960 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.488 7.250 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.905 4.793 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.804 4.705 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.292 3.725 -3.869 1.00 0.00 H new ATOM 1045 N CYS A 521 1.901 3.233 -7.191 1.00 0.00 N ATOM 1046 CA CYS A 521 2.025 2.781 -8.573 1.00 0.00 C ATOM 1047 C CYS A 521 1.407 3.791 -9.533 1.00 0.00 C ATOM 1048 O CYS A 521 1.998 4.129 -10.559 1.00 0.00 O ATOM 1049 CB CYS A 521 1.354 1.417 -8.747 1.00 0.00 C ATOM 1050 SG CYS A 521 1.288 0.841 -10.459 1.00 0.00 S ATOM 0 H CYS A 521 1.054 2.918 -6.718 1.00 0.00 H new ATOM 0 HA CYS A 521 3.086 2.689 -8.805 1.00 0.00 H new ATOM 0 HB2 CYS A 521 1.890 0.681 -8.148 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.339 1.470 -8.353 1.00 0.00 H new ATOM 0 HG CYS A 521 0.705 -0.320 -10.504 1.00 0.00 H new ATOM 1056 N SER A 522 0.215 4.270 -9.194 1.00 0.00 N ATOM 1057 CA SER A 522 -0.486 5.239 -10.029 1.00 0.00 C ATOM 1058 C SER A 522 0.188 6.606 -9.958 1.00 0.00 C ATOM 1059 O SER A 522 0.748 7.084 -10.943 1.00 0.00 O ATOM 1060 CB SER A 522 -1.948 5.355 -9.594 1.00 0.00 C ATOM 1061 OG SER A 522 -2.709 4.255 -10.063 1.00 0.00 O ATOM 0 H SER A 522 -0.286 4.003 -8.347 1.00 0.00 H new ATOM 0 HA SER A 522 -0.448 4.888 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 522 -2.004 5.403 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 522 -2.372 6.284 -9.976 1.00 0.00 H new ATOM 0 HG SER A 522 -3.639 4.352 -9.770 1.00 0.00 H new ATOM 1067 N GLU A 523 0.128 7.228 -8.785 1.00 0.00 N ATOM 1068 CA GLU A 523 0.732 8.540 -8.585 1.00 0.00 C ATOM 1069 C GLU A 523 2.191 8.408 -8.157 1.00 0.00 C ATOM 1070 O GLU A 523 3.066 9.095 -8.682 1.00 0.00 O ATOM 1071 CB GLU A 523 -0.050 9.331 -7.534 1.00 0.00 C ATOM 1072 CG GLU A 523 -1.340 9.935 -8.063 1.00 0.00 C ATOM 1073 CD GLU A 523 -2.484 8.940 -8.084 1.00 0.00 C ATOM 1074 OE1 GLU A 523 -2.951 8.550 -6.994 1.00 0.00 O ATOM 1075 OE2 GLU A 523 -2.912 8.551 -9.191 1.00 0.00 O ATOM 0 H GLU A 523 -0.332 6.845 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 523 0.697 9.076 -9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -0.283 8.674 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 523 0.583 10.129 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.617 10.789 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.173 10.313 -9.072 1.00 0.00 H new TER 1082 GLU A 523