USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 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 180:sc= 0 USER MOD Set 1.2: A 522 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 477 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.048) USER MOD Set 2.2: A 489 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 456 SER OG : rot 151:sc= 0.139 USER MOD Set 3.2: A 459 SER OG : rot 26:sc= 0.258 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 180:sc= 0 USER MOD Single : A 466 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.37) 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 479 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0356) USER MOD Single : A 498 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.096) USER MOD Single : A 504 SER OG : rot 180:sc= 0 USER MOD Single : A 507 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.33) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -4.24! C(o=-4.2!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -30.429 31.854 -7.218 1.00 0.00 N ATOM 2 CA GLY A 455 -30.593 30.417 -7.091 1.00 0.00 C ATOM 3 C GLY A 455 -30.162 29.903 -5.732 1.00 0.00 C ATOM 4 O GLY A 455 -30.986 29.746 -4.830 1.00 0.00 O ATOM 0 HA2 GLY A 455 -31.638 30.157 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -30.011 29.918 -7.866 1.00 0.00 H new ATOM 8 N SER A 456 -28.868 29.639 -5.584 1.00 0.00 N ATOM 9 CA SER A 456 -28.330 29.134 -4.326 1.00 0.00 C ATOM 10 C SER A 456 -28.056 30.277 -3.354 1.00 0.00 C ATOM 11 O SER A 456 -28.265 30.145 -2.148 1.00 0.00 O ATOM 12 CB SER A 456 -27.044 28.344 -4.578 1.00 0.00 C ATOM 13 OG SER A 456 -26.055 29.160 -5.182 1.00 0.00 O ATOM 0 H SER A 456 -28.173 29.766 -6.319 1.00 0.00 H new ATOM 0 HA SER A 456 -29.073 28.473 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 456 -26.667 27.947 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 456 -27.258 27.490 -5.221 1.00 0.00 H new ATOM 0 HG SER A 456 -25.165 28.839 -4.926 1.00 0.00 H new ATOM 19 N SER A 457 -27.588 31.400 -3.888 1.00 0.00 N ATOM 20 CA SER A 457 -27.281 32.567 -3.069 1.00 0.00 C ATOM 21 C SER A 457 -26.486 32.167 -1.830 1.00 0.00 C ATOM 22 O SER A 457 -26.781 32.607 -0.720 1.00 0.00 O ATOM 23 CB SER A 457 -28.571 33.278 -2.653 1.00 0.00 C ATOM 24 OG SER A 457 -29.002 34.180 -3.657 1.00 0.00 O ATOM 0 H SER A 457 -27.413 31.527 -4.885 1.00 0.00 H new ATOM 0 HA SER A 457 -26.674 33.249 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 457 -29.351 32.541 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 457 -28.408 33.818 -1.720 1.00 0.00 H new ATOM 0 HG SER A 457 -29.829 34.620 -3.368 1.00 0.00 H new ATOM 30 N GLY A 458 -25.474 31.328 -2.029 1.00 0.00 N ATOM 31 CA GLY A 458 -24.650 30.881 -0.921 1.00 0.00 C ATOM 32 C GLY A 458 -23.444 30.086 -1.378 1.00 0.00 C ATOM 33 O GLY A 458 -22.307 30.427 -1.051 1.00 0.00 O ATOM 0 H GLY A 458 -25.210 30.950 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -24.315 31.747 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -25.251 30.269 -0.249 1.00 0.00 H new ATOM 37 N SER A 459 -23.690 29.022 -2.135 1.00 0.00 N ATOM 38 CA SER A 459 -22.615 28.172 -2.633 1.00 0.00 C ATOM 39 C SER A 459 -22.156 28.631 -4.014 1.00 0.00 C ATOM 40 O SER A 459 -22.966 28.799 -4.926 1.00 0.00 O ATOM 41 CB SER A 459 -23.075 26.714 -2.694 1.00 0.00 C ATOM 42 OG SER A 459 -24.052 26.530 -3.704 1.00 0.00 O ATOM 0 H SER A 459 -24.625 28.728 -2.417 1.00 0.00 H new ATOM 0 HA SER A 459 -21.774 28.251 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 459 -22.220 26.067 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 459 -23.485 26.418 -1.728 1.00 0.00 H new ATOM 0 HG SER A 459 -23.938 27.213 -4.398 1.00 0.00 H new ATOM 48 N SER A 460 -20.850 28.832 -4.160 1.00 0.00 N ATOM 49 CA SER A 460 -20.282 29.274 -5.428 1.00 0.00 C ATOM 50 C SER A 460 -18.773 29.050 -5.456 1.00 0.00 C ATOM 51 O SER A 460 -18.131 28.944 -4.412 1.00 0.00 O ATOM 52 CB SER A 460 -20.593 30.754 -5.662 1.00 0.00 C ATOM 53 OG SER A 460 -20.636 31.054 -7.046 1.00 0.00 O ATOM 0 H SER A 460 -20.166 28.696 -3.416 1.00 0.00 H new ATOM 0 HA SER A 460 -20.734 28.684 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 460 -21.549 31.005 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 460 -19.835 31.369 -5.177 1.00 0.00 H new ATOM 0 HG SER A 460 -20.838 32.005 -7.168 1.00 0.00 H new ATOM 59 N GLY A 461 -18.214 28.978 -6.659 1.00 0.00 N ATOM 60 CA GLY A 461 -16.785 28.766 -6.802 1.00 0.00 C ATOM 61 C GLY A 461 -16.455 27.402 -7.374 1.00 0.00 C ATOM 62 O GLY A 461 -17.352 26.620 -7.686 1.00 0.00 O ATOM 0 H GLY A 461 -18.725 29.063 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -16.369 29.538 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -16.306 28.874 -5.829 1.00 0.00 H new ATOM 66 N GLU A 462 -15.164 27.117 -7.514 1.00 0.00 N ATOM 67 CA GLU A 462 -14.719 25.838 -8.056 1.00 0.00 C ATOM 68 C GLU A 462 -13.527 25.300 -7.270 1.00 0.00 C ATOM 69 O GLU A 462 -12.847 26.045 -6.564 1.00 0.00 O ATOM 70 CB GLU A 462 -14.347 25.986 -9.532 1.00 0.00 C ATOM 71 CG GLU A 462 -13.216 26.971 -9.779 1.00 0.00 C ATOM 72 CD GLU A 462 -13.178 27.468 -11.211 1.00 0.00 C ATOM 73 OE1 GLU A 462 -14.254 27.788 -11.758 1.00 0.00 O ATOM 74 OE2 GLU A 462 -12.071 27.538 -11.785 1.00 0.00 O ATOM 0 H GLU A 462 -14.409 27.754 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 462 -15.541 25.128 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -14.060 25.011 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -15.227 26.309 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -13.326 27.821 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -12.265 26.495 -9.538 1.00 0.00 H new ATOM 81 N PHE A 463 -13.279 24.001 -7.398 1.00 0.00 N ATOM 82 CA PHE A 463 -12.170 23.361 -6.700 1.00 0.00 C ATOM 83 C PHE A 463 -11.293 22.580 -7.673 1.00 0.00 C ATOM 84 O PHE A 463 -11.770 21.990 -8.643 1.00 0.00 O ATOM 85 CB PHE A 463 -12.697 22.427 -5.609 1.00 0.00 C ATOM 86 CG PHE A 463 -13.262 23.152 -4.420 1.00 0.00 C ATOM 87 CD1 PHE A 463 -12.451 23.489 -3.348 1.00 0.00 C ATOM 88 CD2 PHE A 463 -14.603 23.497 -4.375 1.00 0.00 C ATOM 89 CE1 PHE A 463 -12.967 24.157 -2.254 1.00 0.00 C ATOM 90 CE2 PHE A 463 -15.125 24.164 -3.283 1.00 0.00 C ATOM 91 CZ PHE A 463 -14.306 24.494 -2.221 1.00 0.00 C ATOM 0 H PHE A 463 -13.831 23.370 -7.979 1.00 0.00 H new ATOM 0 HA PHE A 463 -11.565 24.142 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -13.469 21.785 -6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -11.888 21.776 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -11.404 23.226 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -15.248 23.242 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -12.324 24.415 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -16.172 24.427 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 463 -14.712 25.015 -1.366 1.00 0.00 H new ATOM 101 N PRO A 464 -9.977 22.576 -7.411 1.00 0.00 N ATOM 102 CA PRO A 464 -9.004 21.872 -8.252 1.00 0.00 C ATOM 103 C PRO A 464 -9.131 20.356 -8.139 1.00 0.00 C ATOM 104 O PRO A 464 -8.855 19.777 -7.089 1.00 0.00 O ATOM 105 CB PRO A 464 -7.655 22.338 -7.700 1.00 0.00 C ATOM 106 CG PRO A 464 -7.935 22.719 -6.287 1.00 0.00 C ATOM 107 CD PRO A 464 -9.338 23.259 -6.274 1.00 0.00 C ATOM 0 HA PRO A 464 -9.145 22.091 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -6.909 21.545 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -7.265 23.183 -8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -7.842 21.858 -5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -7.225 23.468 -5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -9.845 23.037 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -9.353 24.342 -6.396 1.00 0.00 H new ATOM 115 N ALA A 465 -9.549 19.720 -9.228 1.00 0.00 N ATOM 116 CA ALA A 465 -9.710 18.271 -9.252 1.00 0.00 C ATOM 117 C ALA A 465 -8.448 17.588 -9.767 1.00 0.00 C ATOM 118 O ALA A 465 -8.367 17.216 -10.938 1.00 0.00 O ATOM 119 CB ALA A 465 -10.908 17.887 -10.108 1.00 0.00 C ATOM 0 H ALA A 465 -9.782 20.185 -10.105 1.00 0.00 H new ATOM 0 HA ALA A 465 -9.884 17.932 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -11.016 16.802 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -11.810 18.338 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -10.757 18.245 -11.126 1.00 0.00 H new ATOM 125 N GLN A 466 -7.466 17.426 -8.886 1.00 0.00 N ATOM 126 CA GLN A 466 -6.208 16.788 -9.254 1.00 0.00 C ATOM 127 C GLN A 466 -5.782 15.774 -8.197 1.00 0.00 C ATOM 128 O GLN A 466 -5.825 16.056 -7.000 1.00 0.00 O ATOM 129 CB GLN A 466 -5.113 17.840 -9.438 1.00 0.00 C ATOM 130 CG GLN A 466 -4.791 18.612 -8.169 1.00 0.00 C ATOM 131 CD GLN A 466 -3.709 19.654 -8.378 1.00 0.00 C ATOM 132 OE1 GLN A 466 -3.702 20.364 -9.383 1.00 0.00 O ATOM 133 NE2 GLN A 466 -2.788 19.750 -7.426 1.00 0.00 N ATOM 0 H GLN A 466 -7.517 17.728 -7.913 1.00 0.00 H new ATOM 0 HA GLN A 466 -6.359 16.262 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -4.207 17.350 -9.795 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.422 18.542 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.695 19.101 -7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.473 17.914 -7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -2.833 19.140 -6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -2.036 20.433 -7.511 1.00 0.00 H new ATOM 142 N GLU A 467 -5.372 14.593 -8.648 1.00 0.00 N ATOM 143 CA GLU A 467 -4.940 13.537 -7.740 1.00 0.00 C ATOM 144 C GLU A 467 -3.419 13.411 -7.737 1.00 0.00 C ATOM 145 O GLU A 467 -2.872 12.349 -8.036 1.00 0.00 O ATOM 146 CB GLU A 467 -5.572 12.201 -8.138 1.00 0.00 C ATOM 147 CG GLU A 467 -5.572 11.172 -7.020 1.00 0.00 C ATOM 148 CD GLU A 467 -6.467 11.568 -5.862 1.00 0.00 C ATOM 149 OE1 GLU A 467 -7.544 12.147 -6.115 1.00 0.00 O ATOM 150 OE2 GLU A 467 -6.090 11.299 -4.702 1.00 0.00 O ATOM 0 H GLU A 467 -5.330 14.343 -9.636 1.00 0.00 H new ATOM 0 HA GLU A 467 -5.268 13.801 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -6.599 12.376 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -5.034 11.795 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -5.900 10.211 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -4.553 11.036 -6.657 1.00 0.00 H new ATOM 157 N LEU A 468 -2.742 14.502 -7.397 1.00 0.00 N ATOM 158 CA LEU A 468 -1.284 14.515 -7.354 1.00 0.00 C ATOM 159 C LEU A 468 -0.779 14.363 -5.923 1.00 0.00 C ATOM 160 O LEU A 468 -0.027 15.202 -5.426 1.00 0.00 O ATOM 161 CB LEU A 468 -0.748 15.814 -7.960 1.00 0.00 C ATOM 162 CG LEU A 468 -1.208 16.130 -9.384 1.00 0.00 C ATOM 163 CD1 LEU A 468 -0.898 17.577 -9.736 1.00 0.00 C ATOM 164 CD2 LEU A 468 -0.552 15.185 -10.379 1.00 0.00 C ATOM 0 H LEU A 468 -3.179 15.389 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 468 -0.921 13.670 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.041 16.641 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 468 0.341 15.773 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.287 15.988 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.232 17.784 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -1.416 18.239 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.176 17.746 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.891 15.425 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 468 0.531 15.294 -10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -0.825 14.157 -10.139 1.00 0.00 H new ATOM 176 N ARG A 469 -1.196 13.286 -5.266 1.00 0.00 N ATOM 177 CA ARG A 469 -0.786 13.022 -3.892 1.00 0.00 C ATOM 178 C ARG A 469 0.186 11.848 -3.830 1.00 0.00 C ATOM 179 O ARG A 469 0.093 10.908 -4.620 1.00 0.00 O ATOM 180 CB ARG A 469 -2.008 12.734 -3.018 1.00 0.00 C ATOM 181 CG ARG A 469 -2.906 13.942 -2.808 1.00 0.00 C ATOM 182 CD ARG A 469 -4.262 13.538 -2.250 1.00 0.00 C ATOM 183 NE ARG A 469 -4.978 14.674 -1.677 1.00 0.00 N ATOM 184 CZ ARG A 469 -5.923 14.556 -0.751 1.00 0.00 C ATOM 185 NH1 ARG A 469 -6.264 13.358 -0.296 1.00 0.00 N ATOM 186 NH2 ARG A 469 -6.529 15.637 -0.278 1.00 0.00 N ATOM 0 H ARG A 469 -1.818 12.582 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 469 -0.280 13.910 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -2.591 11.934 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -1.672 12.369 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -2.424 14.641 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -3.042 14.465 -3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -4.863 13.094 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -4.126 12.772 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 469 -4.739 15.610 -2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -5.800 12.524 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -6.990 13.270 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -6.270 16.560 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -7.255 15.545 0.433 1.00 0.00 H new ATOM 200 N LYS A 470 1.119 11.907 -2.886 1.00 0.00 N ATOM 201 CA LYS A 470 2.109 10.849 -2.719 1.00 0.00 C ATOM 202 C LYS A 470 1.799 10.004 -1.488 1.00 0.00 C ATOM 203 O LYS A 470 2.258 8.867 -1.372 1.00 0.00 O ATOM 204 CB LYS A 470 3.512 11.449 -2.600 1.00 0.00 C ATOM 205 CG LYS A 470 4.161 11.748 -3.940 1.00 0.00 C ATOM 206 CD LYS A 470 3.463 12.893 -4.655 1.00 0.00 C ATOM 207 CE LYS A 470 3.907 12.998 -6.106 1.00 0.00 C ATOM 208 NZ LYS A 470 5.127 13.838 -6.253 1.00 0.00 N ATOM 0 H LYS A 470 1.211 12.677 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 470 2.069 10.206 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 470 3.456 12.370 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 470 4.147 10.759 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 470 5.211 11.998 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 470 4.133 10.856 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 470 2.384 12.745 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 470 3.677 13.829 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 470 4.103 12.000 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 470 3.100 13.422 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 5.397 13.885 -7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 4.932 14.797 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 5.905 13.420 -5.704 1.00 0.00 H new ATOM 222 N TYR A 471 1.018 10.566 -0.572 1.00 0.00 N ATOM 223 CA TYR A 471 0.648 9.863 0.651 1.00 0.00 C ATOM 224 C TYR A 471 0.016 8.512 0.334 1.00 0.00 C ATOM 225 O TYR A 471 -0.923 8.423 -0.457 1.00 0.00 O ATOM 226 CB TYR A 471 -0.321 10.711 1.477 1.00 0.00 C ATOM 227 CG TYR A 471 0.000 12.188 1.460 1.00 0.00 C ATOM 228 CD1 TYR A 471 1.009 12.710 2.260 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.705 13.063 0.642 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.305 14.059 2.248 1.00 0.00 C ATOM 231 CE2 TYR A 471 -0.415 14.413 0.622 1.00 0.00 C ATOM 232 CZ TYR A 471 0.591 14.906 1.427 1.00 0.00 C ATOM 233 OH TYR A 471 0.884 16.251 1.411 1.00 0.00 O ATOM 0 H TYR A 471 0.629 11.505 -0.653 1.00 0.00 H new ATOM 0 HA TYR A 471 1.555 9.691 1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.333 10.563 1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.311 10.358 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.572 12.049 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.493 12.680 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 471 2.091 14.448 2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -0.972 15.079 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 471 0.291 16.708 0.779 1.00 0.00 H new ATOM 243 N PHE A 472 0.539 7.461 0.957 1.00 0.00 N ATOM 244 CA PHE A 472 0.027 6.112 0.742 1.00 0.00 C ATOM 245 C PHE A 472 -1.161 5.829 1.657 1.00 0.00 C ATOM 246 O PHE A 472 -1.018 5.768 2.879 1.00 0.00 O ATOM 247 CB PHE A 472 1.130 5.080 0.985 1.00 0.00 C ATOM 248 CG PHE A 472 2.471 5.500 0.453 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.564 6.371 -0.620 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.639 5.023 1.027 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.796 6.759 -1.112 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.873 5.408 0.540 1.00 0.00 C ATOM 253 CZ PHE A 472 4.952 6.276 -0.532 1.00 0.00 C ATOM 0 H PHE A 472 1.317 7.517 1.615 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.308 6.038 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 472 1.214 4.895 2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.843 4.137 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.663 6.752 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.584 4.343 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.854 7.439 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.776 5.031 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.916 6.576 -0.915 1.00 0.00 H new ATOM 263 N LYS A 473 -2.334 5.657 1.058 1.00 0.00 N ATOM 264 CA LYS A 473 -3.548 5.379 1.816 1.00 0.00 C ATOM 265 C LYS A 473 -4.054 3.968 1.535 1.00 0.00 C ATOM 266 O LYS A 473 -3.437 3.216 0.781 1.00 0.00 O ATOM 267 CB LYS A 473 -4.634 6.400 1.472 1.00 0.00 C ATOM 268 CG LYS A 473 -4.525 7.694 2.260 1.00 0.00 C ATOM 269 CD LYS A 473 -5.300 7.620 3.564 1.00 0.00 C ATOM 270 CE LYS A 473 -4.605 6.722 4.576 1.00 0.00 C ATOM 271 NZ LYS A 473 -5.080 6.978 5.964 1.00 0.00 N ATOM 0 H LYS A 473 -2.470 5.705 0.048 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.309 5.456 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.583 6.628 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.611 5.954 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -3.477 7.906 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -4.902 8.521 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.410 8.621 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.304 7.243 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -4.784 5.678 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -3.528 6.883 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -4.582 6.346 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -4.887 7.967 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -6.103 6.800 6.019 1.00 0.00 H new ATOM 285 N MET A 474 -5.181 3.616 2.145 1.00 0.00 N ATOM 286 CA MET A 474 -5.771 2.296 1.957 1.00 0.00 C ATOM 287 C MET A 474 -6.425 2.182 0.584 1.00 0.00 C ATOM 288 O MET A 474 -6.792 3.187 -0.024 1.00 0.00 O ATOM 289 CB MET A 474 -6.803 2.014 3.051 1.00 0.00 C ATOM 290 CG MET A 474 -7.183 0.547 3.166 1.00 0.00 C ATOM 291 SD MET A 474 -8.648 0.286 4.184 1.00 0.00 S ATOM 292 CE MET A 474 -9.240 -1.273 3.531 1.00 0.00 C ATOM 0 H MET A 474 -5.704 4.226 2.773 1.00 0.00 H new ATOM 0 HA MET A 474 -4.972 1.557 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.408 2.354 4.008 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.701 2.599 2.851 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.361 0.143 2.170 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.347 -0.009 3.590 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.145 -1.569 4.061 1.00 0.00 H new ATOM 0 HE2 MET A 474 -9.461 -1.162 2.469 1.00 0.00 H new ATOM 0 HE3 MET A 474 -8.475 -2.038 3.665 1.00 0.00 H new ATOM 302 N GLY A 475 -6.566 0.952 0.100 1.00 0.00 N ATOM 303 CA GLY A 475 -7.175 0.731 -1.199 1.00 0.00 C ATOM 304 C GLY A 475 -6.235 1.056 -2.343 1.00 0.00 C ATOM 305 O GLY A 475 -6.530 0.759 -3.501 1.00 0.00 O ATOM 0 H GLY A 475 -6.269 0.105 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.491 -0.309 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.072 1.344 -1.285 1.00 0.00 H new ATOM 309 N ASP A 476 -5.101 1.668 -2.019 1.00 0.00 N ATOM 310 CA ASP A 476 -4.115 2.034 -3.028 1.00 0.00 C ATOM 311 C ASP A 476 -3.061 0.942 -3.180 1.00 0.00 C ATOM 312 O ASP A 476 -2.732 0.245 -2.219 1.00 0.00 O ATOM 313 CB ASP A 476 -3.445 3.359 -2.661 1.00 0.00 C ATOM 314 CG ASP A 476 -4.346 4.552 -2.910 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.283 4.428 -3.726 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.114 5.610 -2.289 1.00 0.00 O ATOM 0 H ASP A 476 -4.842 1.921 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.633 2.149 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.157 3.338 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.529 3.472 -3.240 1.00 0.00 H new ATOM 321 N HIS A 477 -2.536 0.797 -4.392 1.00 0.00 N ATOM 322 CA HIS A 477 -1.520 -0.212 -4.670 1.00 0.00 C ATOM 323 C HIS A 477 -0.120 0.389 -4.582 1.00 0.00 C ATOM 324 O HIS A 477 0.255 1.236 -5.393 1.00 0.00 O ATOM 325 CB HIS A 477 -1.740 -0.821 -6.055 1.00 0.00 C ATOM 326 CG HIS A 477 -0.697 -1.824 -6.441 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.137 -1.663 -7.527 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.355 -3.007 -5.878 1.00 0.00 C ATOM 329 CE1 HIS A 477 0.946 -2.703 -7.616 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.669 -3.533 -6.626 1.00 0.00 N ATOM 0 H HIS A 477 -2.797 1.365 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.608 -0.997 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.719 -1.299 -6.081 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.755 -0.022 -6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.804 -3.454 -5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.705 -2.850 -8.370 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.139 -4.420 -6.447 1.00 0.00 H new ATOM 338 N VAL A 478 0.648 -0.055 -3.592 1.00 0.00 N ATOM 339 CA VAL A 478 2.006 0.438 -3.399 1.00 0.00 C ATOM 340 C VAL A 478 3.035 -0.605 -3.820 1.00 0.00 C ATOM 341 O VAL A 478 2.725 -1.791 -3.929 1.00 0.00 O ATOM 342 CB VAL A 478 2.258 0.828 -1.930 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.519 2.112 -1.584 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.843 -0.303 -1.001 1.00 0.00 C ATOM 0 H VAL A 478 0.353 -0.755 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 478 2.113 1.323 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 478 3.325 1.005 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.709 2.372 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.869 2.918 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.449 1.967 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.028 -0.011 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.782 -0.513 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.422 -1.197 -1.235 1.00 0.00 H new ATOM 354 N LYS A 479 4.264 -0.155 -4.054 1.00 0.00 N ATOM 355 CA LYS A 479 5.341 -1.049 -4.462 1.00 0.00 C ATOM 356 C LYS A 479 6.504 -0.983 -3.477 1.00 0.00 C ATOM 357 O LYS A 479 6.842 0.087 -2.971 1.00 0.00 O ATOM 358 CB LYS A 479 5.827 -0.687 -5.867 1.00 0.00 C ATOM 359 CG LYS A 479 7.284 -1.039 -6.116 1.00 0.00 C ATOM 360 CD LYS A 479 7.687 -0.758 -7.554 1.00 0.00 C ATOM 361 CE LYS A 479 9.085 -1.279 -7.852 1.00 0.00 C ATOM 362 NZ LYS A 479 9.110 -2.764 -7.969 1.00 0.00 N ATOM 0 H LYS A 479 4.538 0.824 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 479 4.952 -2.067 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.207 -1.202 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.688 0.382 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.919 -0.465 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.449 -2.093 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.972 -1.224 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.650 0.315 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.448 -0.835 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.766 -0.965 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.040 -3.069 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.936 -3.189 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.371 -3.072 -8.633 1.00 0.00 H new ATOM 376 N VAL A 480 7.114 -2.134 -3.211 1.00 0.00 N ATOM 377 CA VAL A 480 8.242 -2.206 -2.289 1.00 0.00 C ATOM 378 C VAL A 480 9.563 -1.995 -3.019 1.00 0.00 C ATOM 379 O VAL A 480 9.942 -2.791 -3.879 1.00 0.00 O ATOM 380 CB VAL A 480 8.283 -3.561 -1.557 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.323 -3.537 -0.448 1.00 0.00 C ATOM 382 CG2 VAL A 480 6.909 -3.909 -1.004 1.00 0.00 C ATOM 0 H VAL A 480 6.846 -3.029 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 480 8.104 -1.410 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 480 8.568 -4.333 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.338 -4.502 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.306 -3.336 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.072 -2.755 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 480 6.956 -4.869 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.593 -3.137 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.192 -3.971 -1.823 1.00 0.00 H new ATOM 392 N ILE A 481 10.260 -0.919 -2.671 1.00 0.00 N ATOM 393 CA ILE A 481 11.540 -0.604 -3.292 1.00 0.00 C ATOM 394 C ILE A 481 12.703 -1.017 -2.396 1.00 0.00 C ATOM 395 O ILE A 481 13.780 -1.365 -2.880 1.00 0.00 O ATOM 396 CB ILE A 481 11.659 0.899 -3.608 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.711 1.711 -2.312 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.495 1.351 -4.477 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.229 3.120 -2.503 1.00 0.00 C ATOM 0 H ILE A 481 9.959 -0.250 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 481 11.585 -1.167 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 481 12.584 1.068 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.711 1.755 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.346 1.193 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.593 2.415 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.499 0.790 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.557 1.172 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.239 3.637 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.241 3.084 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.581 3.655 -3.197 1.00 0.00 H new ATOM 411 N ALA A 482 12.476 -0.978 -1.087 1.00 0.00 N ATOM 412 CA ALA A 482 13.503 -1.352 -0.123 1.00 0.00 C ATOM 413 C ALA A 482 12.907 -2.151 1.032 1.00 0.00 C ATOM 414 O ALA A 482 11.689 -2.266 1.156 1.00 0.00 O ATOM 415 CB ALA A 482 14.212 -0.112 0.402 1.00 0.00 C ATOM 0 H ALA A 482 11.590 -0.691 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 482 14.230 -1.985 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 482 14.976 -0.407 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.680 0.418 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.489 0.542 0.889 1.00 0.00 H new ATOM 421 N GLY A 483 13.776 -2.703 1.874 1.00 0.00 N ATOM 422 CA GLY A 483 13.316 -3.486 3.006 1.00 0.00 C ATOM 423 C GLY A 483 13.560 -4.970 2.823 1.00 0.00 C ATOM 424 O GLY A 483 14.430 -5.373 2.051 1.00 0.00 O ATOM 0 H GLY A 483 14.789 -2.622 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.824 -3.146 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.250 -3.312 3.155 1.00 0.00 H new ATOM 428 N ARG A 484 12.790 -5.787 3.535 1.00 0.00 N ATOM 429 CA ARG A 484 12.929 -7.236 3.448 1.00 0.00 C ATOM 430 C ARG A 484 12.068 -7.798 2.321 1.00 0.00 C ATOM 431 O ARG A 484 12.181 -8.972 1.966 1.00 0.00 O ATOM 432 CB ARG A 484 12.537 -7.887 4.776 1.00 0.00 C ATOM 433 CG ARG A 484 12.467 -9.404 4.714 1.00 0.00 C ATOM 434 CD ARG A 484 12.406 -10.017 6.104 1.00 0.00 C ATOM 435 NE ARG A 484 11.153 -9.704 6.786 1.00 0.00 N ATOM 436 CZ ARG A 484 11.017 -9.697 8.107 1.00 0.00 C ATOM 437 NH1 ARG A 484 12.052 -9.984 8.885 1.00 0.00 N ATOM 438 NH2 ARG A 484 9.844 -9.403 8.653 1.00 0.00 N ATOM 0 H ARG A 484 12.064 -5.470 4.178 1.00 0.00 H new ATOM 0 HA ARG A 484 13.973 -7.464 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.258 -7.596 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.567 -7.500 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 484 11.589 -9.706 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.339 -9.788 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 484 12.517 -11.099 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.243 -9.651 6.698 1.00 0.00 H new ATOM 0 HE ARG A 484 10.338 -9.478 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 484 12.955 -10.211 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 484 11.945 -9.978 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 484 9.046 -9.182 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 484 9.741 -9.398 9.668 1.00 0.00 H new ATOM 452 N PHE A 485 11.208 -6.953 1.762 1.00 0.00 N ATOM 453 CA PHE A 485 10.327 -7.366 0.676 1.00 0.00 C ATOM 454 C PHE A 485 10.594 -6.546 -0.583 1.00 0.00 C ATOM 455 O PHE A 485 9.668 -6.179 -1.305 1.00 0.00 O ATOM 456 CB PHE A 485 8.863 -7.218 1.094 1.00 0.00 C ATOM 457 CG PHE A 485 8.537 -7.905 2.389 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.122 -9.227 2.402 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.645 -7.229 3.594 1.00 0.00 C ATOM 460 CE1 PHE A 485 7.821 -9.862 3.592 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.346 -7.859 4.787 1.00 0.00 C ATOM 462 CZ PHE A 485 7.934 -9.177 4.786 1.00 0.00 C ATOM 0 H PHE A 485 11.102 -5.978 2.043 1.00 0.00 H new ATOM 0 HA PHE A 485 10.530 -8.414 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.625 -6.158 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.226 -7.622 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 485 8.033 -9.767 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.967 -6.198 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 485 7.498 -10.893 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.434 -7.321 5.719 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.701 -9.671 5.717 1.00 0.00 H new ATOM 472 N GLU A 486 11.867 -6.261 -0.837 1.00 0.00 N ATOM 473 CA GLU A 486 12.256 -5.482 -2.007 1.00 0.00 C ATOM 474 C GLU A 486 11.822 -6.179 -3.294 1.00 0.00 C ATOM 475 O GLU A 486 11.954 -7.395 -3.429 1.00 0.00 O ATOM 476 CB GLU A 486 13.770 -5.261 -2.020 1.00 0.00 C ATOM 477 CG GLU A 486 14.259 -4.470 -3.222 1.00 0.00 C ATOM 478 CD GLU A 486 14.616 -5.358 -4.399 1.00 0.00 C ATOM 479 OE1 GLU A 486 14.894 -6.555 -4.175 1.00 0.00 O ATOM 480 OE2 GLU A 486 14.617 -4.857 -5.542 1.00 0.00 O ATOM 0 H GLU A 486 12.646 -6.557 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 486 11.755 -4.515 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.060 -4.738 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.270 -6.229 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.487 -3.763 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 486 15.132 -3.884 -2.936 1.00 0.00 H new ATOM 487 N GLY A 487 11.302 -5.399 -4.236 1.00 0.00 N ATOM 488 CA GLY A 487 10.855 -5.958 -5.499 1.00 0.00 C ATOM 489 C GLY A 487 9.419 -6.440 -5.444 1.00 0.00 C ATOM 490 O GLY A 487 8.769 -6.593 -6.478 1.00 0.00 O ATOM 0 H GLY A 487 11.182 -4.390 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.952 -5.205 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.504 -6.789 -5.775 1.00 0.00 H new ATOM 494 N ASP A 488 8.924 -6.681 -4.235 1.00 0.00 N ATOM 495 CA ASP A 488 7.555 -7.150 -4.049 1.00 0.00 C ATOM 496 C ASP A 488 6.576 -5.981 -4.053 1.00 0.00 C ATOM 497 O ASP A 488 6.962 -4.831 -3.839 1.00 0.00 O ATOM 498 CB ASP A 488 7.434 -7.928 -2.738 1.00 0.00 C ATOM 499 CG ASP A 488 8.026 -9.321 -2.835 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.257 -9.432 -3.009 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.257 -10.300 -2.735 1.00 0.00 O ATOM 0 H ASP A 488 9.450 -6.560 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 488 7.307 -7.811 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.938 -7.377 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.383 -8.002 -2.458 1.00 0.00 H new ATOM 506 N THR A 489 5.304 -6.281 -4.301 1.00 0.00 N ATOM 507 CA THR A 489 4.269 -5.256 -4.335 1.00 0.00 C ATOM 508 C THR A 489 2.959 -5.777 -3.756 1.00 0.00 C ATOM 509 O THR A 489 2.782 -6.982 -3.581 1.00 0.00 O ATOM 510 CB THR A 489 4.020 -4.758 -5.772 1.00 0.00 C ATOM 511 OG1 THR A 489 3.507 -5.825 -6.578 1.00 0.00 O ATOM 512 CG2 THR A 489 5.302 -4.221 -6.389 1.00 0.00 C ATOM 0 H THR A 489 4.967 -7.227 -4.481 1.00 0.00 H new ATOM 0 HA THR A 489 4.626 -4.425 -3.726 1.00 0.00 H new ATOM 0 HB THR A 489 3.290 -3.950 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.350 -5.500 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.101 -3.876 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.674 -3.390 -5.790 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.051 -5.012 -6.417 1.00 0.00 H new ATOM 520 N GLY A 490 2.043 -4.861 -3.459 1.00 0.00 N ATOM 521 CA GLY A 490 0.760 -5.248 -2.902 1.00 0.00 C ATOM 522 C GLY A 490 -0.141 -4.058 -2.639 1.00 0.00 C ATOM 523 O GLY A 490 0.229 -2.916 -2.915 1.00 0.00 O ATOM 0 H GLY A 490 2.166 -3.858 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.261 -5.933 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.921 -5.791 -1.971 1.00 0.00 H new ATOM 527 N LEU A 491 -1.329 -4.324 -2.105 1.00 0.00 N ATOM 528 CA LEU A 491 -2.287 -3.265 -1.806 1.00 0.00 C ATOM 529 C LEU A 491 -2.245 -2.895 -0.327 1.00 0.00 C ATOM 530 O LEU A 491 -1.758 -3.665 0.502 1.00 0.00 O ATOM 531 CB LEU A 491 -3.700 -3.704 -2.194 1.00 0.00 C ATOM 532 CG LEU A 491 -4.131 -3.388 -3.626 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.338 -4.227 -4.018 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.440 -1.905 -3.775 1.00 0.00 C ATOM 0 H LEU A 491 -1.651 -5.263 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.014 -2.386 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.779 -4.780 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.406 -3.232 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.308 -3.637 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.630 -3.988 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.083 -5.285 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.166 -4.010 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.745 -1.698 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.246 -1.631 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.550 -1.322 -3.537 1.00 0.00 H new ATOM 546 N ILE A 492 -2.761 -1.714 -0.003 1.00 0.00 N ATOM 547 CA ILE A 492 -2.785 -1.244 1.377 1.00 0.00 C ATOM 548 C ILE A 492 -4.114 -1.578 2.047 1.00 0.00 C ATOM 549 O ILE A 492 -5.132 -0.938 1.784 1.00 0.00 O ATOM 550 CB ILE A 492 -2.549 0.275 1.458 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.253 0.652 0.737 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.503 0.727 2.910 1.00 0.00 C ATOM 553 CD1 ILE A 492 -0.738 2.027 1.097 1.00 0.00 C ATOM 0 H ILE A 492 -3.168 -1.065 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 492 -1.978 -1.757 1.900 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.378 0.783 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.487 -0.087 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.419 0.606 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.335 1.803 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.449 0.488 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.691 0.214 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 492 0.183 2.226 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -1.486 2.776 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -0.539 2.072 2.168 1.00 0.00 H new ATOM 565 N VAL A 493 -4.096 -2.583 2.917 1.00 0.00 N ATOM 566 CA VAL A 493 -5.298 -3.000 3.629 1.00 0.00 C ATOM 567 C VAL A 493 -5.436 -2.261 4.955 1.00 0.00 C ATOM 568 O VAL A 493 -6.544 -2.055 5.450 1.00 0.00 O ATOM 569 CB VAL A 493 -5.293 -4.516 3.897 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.643 -5.284 2.631 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.943 -4.957 4.442 1.00 0.00 C ATOM 0 H VAL A 493 -3.262 -3.124 3.146 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.146 -2.754 2.990 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.051 -4.736 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.634 -6.354 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.635 -4.989 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.911 -5.060 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.958 -6.031 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.164 -4.724 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.738 -4.432 5.375 1.00 0.00 H new ATOM 581 N ARG A 494 -4.303 -1.862 5.525 1.00 0.00 N ATOM 582 CA ARG A 494 -4.297 -1.146 6.794 1.00 0.00 C ATOM 583 C ARG A 494 -3.061 -0.259 6.912 1.00 0.00 C ATOM 584 O ARG A 494 -1.970 -0.636 6.485 1.00 0.00 O ATOM 585 CB ARG A 494 -4.343 -2.133 7.962 1.00 0.00 C ATOM 586 CG ARG A 494 -4.567 -1.471 9.311 1.00 0.00 C ATOM 587 CD ARG A 494 -4.949 -2.489 10.374 1.00 0.00 C ATOM 588 NE ARG A 494 -6.310 -2.986 10.192 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.886 -3.867 11.003 1.00 0.00 C ATOM 590 NH1 ARG A 494 -6.222 -4.345 12.046 1.00 0.00 N ATOM 591 NH2 ARG A 494 -8.128 -4.271 10.771 1.00 0.00 N ATOM 0 H ARG A 494 -3.378 -2.023 5.127 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.183 -0.512 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -5.140 -2.855 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.407 -2.691 7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.661 -0.948 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.354 -0.722 9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -4.251 -3.325 10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.858 -2.034 11.361 1.00 0.00 H new ATOM 0 HE ARG A 494 -6.848 -2.638 9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -5.267 -4.037 12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -6.666 -5.021 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -8.642 -3.905 9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -8.569 -4.947 11.394 1.00 0.00 H new ATOM 605 N VAL A 495 -3.241 0.923 7.495 1.00 0.00 N ATOM 606 CA VAL A 495 -2.141 1.864 7.670 1.00 0.00 C ATOM 607 C VAL A 495 -2.012 2.295 9.126 1.00 0.00 C ATOM 608 O VAL A 495 -3.012 2.532 9.803 1.00 0.00 O ATOM 609 CB VAL A 495 -2.327 3.114 6.790 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.168 4.080 6.983 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.466 2.721 5.327 1.00 0.00 C ATOM 0 H VAL A 495 -4.138 1.251 7.854 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.231 1.347 7.366 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.244 3.618 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.317 4.957 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.120 4.387 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.235 3.589 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -2.597 3.617 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.569 2.193 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.333 2.071 5.206 1.00 0.00 H new ATOM 621 N GLU A 496 -0.775 2.394 9.602 1.00 0.00 N ATOM 622 CA GLU A 496 -0.517 2.796 10.980 1.00 0.00 C ATOM 623 C GLU A 496 0.451 3.975 11.030 1.00 0.00 C ATOM 624 O GLU A 496 1.345 4.092 10.193 1.00 0.00 O ATOM 625 CB GLU A 496 0.051 1.622 11.779 1.00 0.00 C ATOM 626 CG GLU A 496 -0.899 0.441 11.885 1.00 0.00 C ATOM 627 CD GLU A 496 -1.927 0.616 12.986 1.00 0.00 C ATOM 628 OE1 GLU A 496 -2.983 1.227 12.720 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.675 0.141 14.113 1.00 0.00 O ATOM 0 H GLU A 496 0.064 2.202 9.054 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.463 3.105 11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.978 1.291 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.304 1.965 12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.412 0.305 10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.325 -0.467 12.070 1.00 0.00 H new ATOM 636 N GLU A 497 0.263 4.846 12.016 1.00 0.00 N ATOM 637 CA GLU A 497 1.118 6.016 12.175 1.00 0.00 C ATOM 638 C GLU A 497 2.592 5.625 12.114 1.00 0.00 C ATOM 639 O GLU A 497 3.438 6.418 11.702 1.00 0.00 O ATOM 640 CB GLU A 497 0.820 6.718 13.501 1.00 0.00 C ATOM 641 CG GLU A 497 1.487 8.076 13.635 1.00 0.00 C ATOM 642 CD GLU A 497 0.669 9.192 13.014 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.391 9.534 13.579 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.088 9.722 11.964 1.00 0.00 O ATOM 0 H GLU A 497 -0.474 4.764 12.717 1.00 0.00 H new ATOM 0 HA GLU A 497 0.907 6.702 11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -0.258 6.841 13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.147 6.080 14.322 1.00 0.00 H new ATOM 0 HG2 GLU A 497 1.650 8.294 14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 497 2.468 8.043 13.161 1.00 0.00 H new ATOM 651 N ASN A 498 2.890 4.398 12.527 1.00 0.00 N ATOM 652 CA ASN A 498 4.262 3.902 12.521 1.00 0.00 C ATOM 653 C ASN A 498 4.627 3.330 11.154 1.00 0.00 C ATOM 654 O ASN A 498 5.555 3.804 10.499 1.00 0.00 O ATOM 655 CB ASN A 498 4.444 2.831 13.599 1.00 0.00 C ATOM 656 CG ASN A 498 3.639 3.128 14.850 1.00 0.00 C ATOM 657 OD1 ASN A 498 2.524 2.633 15.015 1.00 0.00 O ATOM 658 ND2 ASN A 498 4.202 3.940 15.737 1.00 0.00 N ATOM 0 H ASN A 498 2.201 3.729 12.870 1.00 0.00 H new ATOM 0 HA ASN A 498 4.926 4.740 12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 498 4.145 1.862 13.199 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.500 2.756 13.859 1.00 0.00 H new ATOM 0 HD21 ASN A 498 3.708 4.177 16.597 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.129 4.327 15.558 1.00 0.00 H new ATOM 665 N PHE A 499 3.890 2.309 10.730 1.00 0.00 N ATOM 666 CA PHE A 499 4.136 1.672 9.442 1.00 0.00 C ATOM 667 C PHE A 499 2.826 1.406 8.707 1.00 0.00 C ATOM 668 O PHE A 499 1.744 1.688 9.223 1.00 0.00 O ATOM 669 CB PHE A 499 4.901 0.360 9.635 1.00 0.00 C ATOM 670 CG PHE A 499 4.609 -0.316 10.944 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.537 -1.185 11.066 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.408 -0.083 12.052 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.266 -1.808 12.270 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.142 -0.704 13.259 1.00 0.00 C ATOM 675 CZ PHE A 499 4.070 -1.568 13.367 1.00 0.00 C ATOM 0 H PHE A 499 3.118 1.905 11.260 1.00 0.00 H new ATOM 0 HA PHE A 499 4.739 2.351 8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.652 -0.320 8.820 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.971 0.559 9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.906 -1.378 10.211 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.248 0.591 11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.426 -2.482 12.353 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.772 -0.514 14.116 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.861 -2.055 14.308 1.00 0.00 H new ATOM 685 N VAL A 500 2.931 0.862 7.499 1.00 0.00 N ATOM 686 CA VAL A 500 1.755 0.557 6.692 1.00 0.00 C ATOM 687 C VAL A 500 1.676 -0.932 6.377 1.00 0.00 C ATOM 688 O VAL A 500 2.663 -1.542 5.963 1.00 0.00 O ATOM 689 CB VAL A 500 1.759 1.351 5.373 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.468 1.114 4.603 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.962 2.834 5.644 1.00 0.00 C ATOM 0 H VAL A 500 3.819 0.623 7.057 1.00 0.00 H new ATOM 0 HA VAL A 500 0.884 0.847 7.279 1.00 0.00 H new ATOM 0 HB VAL A 500 2.590 1.000 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.489 1.683 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.369 0.052 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.380 1.436 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.962 3.380 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.154 3.202 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.916 2.984 6.150 1.00 0.00 H new ATOM 701 N ILE A 501 0.497 -1.511 6.574 1.00 0.00 N ATOM 702 CA ILE A 501 0.288 -2.929 6.308 1.00 0.00 C ATOM 703 C ILE A 501 -0.329 -3.146 4.931 1.00 0.00 C ATOM 704 O ILE A 501 -1.489 -2.804 4.698 1.00 0.00 O ATOM 705 CB ILE A 501 -0.619 -3.574 7.372 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.195 -3.128 8.773 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.576 -5.090 7.257 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.124 -3.717 9.221 1.00 0.00 C ATOM 0 H ILE A 501 -0.329 -1.020 6.917 1.00 0.00 H new ATOM 0 HA ILE A 501 1.269 -3.403 6.342 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.644 -3.246 7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.124 -2.041 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.970 -3.410 9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.222 -5.531 8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.921 -5.390 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.447 -5.437 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.362 -3.358 10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.051 -4.805 9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.911 -3.414 8.531 1.00 0.00 H new ATOM 720 N LEU A 502 0.453 -3.717 4.021 1.00 0.00 N ATOM 721 CA LEU A 502 -0.017 -3.982 2.666 1.00 0.00 C ATOM 722 C LEU A 502 -0.127 -5.482 2.411 1.00 0.00 C ATOM 723 O LEU A 502 0.752 -6.253 2.797 1.00 0.00 O ATOM 724 CB LEU A 502 0.927 -3.347 1.644 1.00 0.00 C ATOM 725 CG LEU A 502 2.240 -4.090 1.390 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.853 -3.653 0.069 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.214 -3.857 2.536 1.00 0.00 C ATOM 0 H LEU A 502 1.415 -4.005 4.197 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.008 -3.541 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.396 -3.255 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.163 -2.336 1.976 1.00 0.00 H new ATOM 0 HG LEU A 502 2.027 -5.157 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.786 -4.192 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.160 -3.872 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 502 3.053 -2.582 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.143 -4.393 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.422 -2.791 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.776 -4.220 3.466 1.00 0.00 H new ATOM 739 N PHE A 503 -1.209 -5.888 1.756 1.00 0.00 N ATOM 740 CA PHE A 503 -1.433 -7.296 1.448 1.00 0.00 C ATOM 741 C PHE A 503 -0.708 -7.694 0.166 1.00 0.00 C ATOM 742 O PHE A 503 -0.743 -6.972 -0.830 1.00 0.00 O ATOM 743 CB PHE A 503 -2.931 -7.577 1.308 1.00 0.00 C ATOM 744 CG PHE A 503 -3.263 -9.041 1.249 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.343 -9.794 2.410 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.495 -9.664 0.033 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.647 -11.141 2.358 1.00 0.00 C ATOM 748 CE2 PHE A 503 -3.800 -11.010 -0.025 1.00 0.00 C ATOM 749 CZ PHE A 503 -3.877 -11.750 1.139 1.00 0.00 C ATOM 0 H PHE A 503 -1.945 -5.262 1.428 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.034 -7.890 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.457 -7.127 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.301 -7.092 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.166 -9.323 3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.437 -9.090 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.705 -11.717 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -3.978 -11.483 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.116 -12.802 1.096 1.00 0.00 H new ATOM 759 N SER A 504 -0.049 -8.848 0.200 1.00 0.00 N ATOM 760 CA SER A 504 0.690 -9.341 -0.956 1.00 0.00 C ATOM 761 C SER A 504 -0.193 -10.232 -1.825 1.00 0.00 C ATOM 762 O SER A 504 -1.009 -11.002 -1.316 1.00 0.00 O ATOM 763 CB SER A 504 1.929 -10.116 -0.504 1.00 0.00 C ATOM 764 OG SER A 504 2.968 -10.020 -1.463 1.00 0.00 O ATOM 0 H SER A 504 -0.012 -9.459 1.016 1.00 0.00 H new ATOM 0 HA SER A 504 1.005 -8.482 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.276 -9.727 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.670 -11.163 -0.347 1.00 0.00 H new ATOM 0 HG SER A 504 3.749 -10.522 -1.150 1.00 0.00 H new ATOM 770 N ASP A 505 -0.024 -10.123 -3.138 1.00 0.00 N ATOM 771 CA ASP A 505 -0.804 -10.919 -4.078 1.00 0.00 C ATOM 772 C ASP A 505 -0.119 -12.252 -4.360 1.00 0.00 C ATOM 773 O ASP A 505 -0.704 -13.146 -4.973 1.00 0.00 O ATOM 774 CB ASP A 505 -1.007 -10.149 -5.385 1.00 0.00 C ATOM 775 CG ASP A 505 -1.710 -10.978 -6.441 1.00 0.00 C ATOM 776 OD1 ASP A 505 -2.959 -10.988 -6.453 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.012 -11.616 -7.256 1.00 0.00 O ATOM 0 H ASP A 505 0.646 -9.491 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.776 -11.119 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.589 -9.249 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.039 -9.825 -5.767 1.00 0.00 H new ATOM 782 N LEU A 506 1.124 -12.380 -3.908 1.00 0.00 N ATOM 783 CA LEU A 506 1.890 -13.605 -4.112 1.00 0.00 C ATOM 784 C LEU A 506 1.857 -14.482 -2.865 1.00 0.00 C ATOM 785 O LEU A 506 1.590 -15.682 -2.943 1.00 0.00 O ATOM 786 CB LEU A 506 3.337 -13.270 -4.476 1.00 0.00 C ATOM 787 CG LEU A 506 3.559 -12.664 -5.862 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.930 -12.013 -5.947 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.402 -13.726 -6.940 1.00 0.00 C ATOM 0 H LEU A 506 1.623 -11.651 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 506 1.434 -14.157 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.726 -12.575 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.929 -14.182 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 506 2.804 -11.895 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.070 -11.587 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.004 -11.223 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.700 -12.761 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.563 -13.277 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.133 -14.518 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.397 -14.145 -6.894 1.00 0.00 H new ATOM 801 N THR A 507 2.127 -13.875 -1.713 1.00 0.00 N ATOM 802 CA THR A 507 2.127 -14.600 -0.449 1.00 0.00 C ATOM 803 C THR A 507 0.765 -14.518 0.232 1.00 0.00 C ATOM 804 O THR A 507 0.547 -15.125 1.280 1.00 0.00 O ATOM 805 CB THR A 507 3.201 -14.055 0.511 1.00 0.00 C ATOM 806 OG1 THR A 507 2.747 -12.839 1.115 1.00 0.00 O ATOM 807 CG2 THR A 507 4.508 -13.803 -0.226 1.00 0.00 C ATOM 0 H THR A 507 2.348 -12.883 -1.630 1.00 0.00 H new ATOM 0 HA THR A 507 2.352 -15.641 -0.682 1.00 0.00 H new ATOM 0 HB THR A 507 3.377 -14.802 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.435 -12.500 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.251 -13.418 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.867 -14.736 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.344 -13.073 -1.019 1.00 0.00 H new ATOM 815 N MET A 508 -0.149 -13.765 -0.372 1.00 0.00 N ATOM 816 CA MET A 508 -1.491 -13.606 0.176 1.00 0.00 C ATOM 817 C MET A 508 -1.441 -13.409 1.688 1.00 0.00 C ATOM 818 O MET A 508 -2.329 -13.859 2.413 1.00 0.00 O ATOM 819 CB MET A 508 -2.351 -14.825 -0.162 1.00 0.00 C ATOM 820 CG MET A 508 -2.472 -15.088 -1.655 1.00 0.00 C ATOM 821 SD MET A 508 -3.563 -13.914 -2.480 1.00 0.00 S ATOM 822 CE MET A 508 -5.099 -14.835 -2.498 1.00 0.00 C ATOM 0 H MET A 508 0.015 -13.256 -1.240 1.00 0.00 H new ATOM 0 HA MET A 508 -1.937 -12.719 -0.274 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.925 -15.705 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.348 -14.683 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 508 -1.483 -15.040 -2.110 1.00 0.00 H new ATOM 0 HG3 MET A 508 -2.847 -16.099 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.875 -14.239 -2.979 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.960 -15.764 -3.051 1.00 0.00 H new ATOM 0 HE3 MET A 508 -5.398 -15.063 -1.475 1.00 0.00 H new ATOM 832 N HIS A 509 -0.397 -12.733 2.158 1.00 0.00 N ATOM 833 CA HIS A 509 -0.232 -12.476 3.584 1.00 0.00 C ATOM 834 C HIS A 509 -0.112 -10.979 3.856 1.00 0.00 C ATOM 835 O HIS A 509 0.126 -10.191 2.942 1.00 0.00 O ATOM 836 CB HIS A 509 1.004 -13.203 4.115 1.00 0.00 C ATOM 837 CG HIS A 509 0.784 -14.667 4.347 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.415 -15.187 4.788 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.617 -15.722 4.195 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.308 -16.499 4.899 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.915 -16.849 4.544 1.00 0.00 N ATOM 0 H HIS A 509 0.347 -12.354 1.572 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.115 -12.852 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.823 -13.075 3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.315 -12.738 5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.643 -15.685 3.861 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.088 -17.171 5.225 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.279 -17.802 4.531 1.00 0.00 H new ATOM 849 N GLU A 510 -0.279 -10.597 5.118 1.00 0.00 N ATOM 850 CA GLU A 510 -0.191 -9.195 5.509 1.00 0.00 C ATOM 851 C GLU A 510 1.258 -8.794 5.774 1.00 0.00 C ATOM 852 O GLU A 510 1.828 -9.134 6.812 1.00 0.00 O ATOM 853 CB GLU A 510 -1.040 -8.935 6.755 1.00 0.00 C ATOM 854 CG GLU A 510 -2.512 -9.263 6.568 1.00 0.00 C ATOM 855 CD GLU A 510 -2.832 -10.710 6.885 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.763 -11.548 5.961 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.152 -11.005 8.055 1.00 0.00 O ATOM 0 H GLU A 510 -0.476 -11.238 5.887 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.573 -8.590 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.647 -9.526 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.943 -7.887 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -3.109 -8.614 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.800 -9.048 5.539 1.00 0.00 H new ATOM 864 N LEU A 511 1.847 -8.070 4.830 1.00 0.00 N ATOM 865 CA LEU A 511 3.230 -7.622 4.960 1.00 0.00 C ATOM 866 C LEU A 511 3.303 -6.286 5.691 1.00 0.00 C ATOM 867 O LEU A 511 2.444 -5.421 5.515 1.00 0.00 O ATOM 868 CB LEU A 511 3.878 -7.498 3.580 1.00 0.00 C ATOM 869 CG LEU A 511 3.904 -8.771 2.733 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.522 -8.493 1.372 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.666 -9.874 3.452 1.00 0.00 C ATOM 0 H LEU A 511 1.389 -7.780 3.966 1.00 0.00 H new ATOM 0 HA LEU A 511 3.773 -8.365 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.351 -6.725 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.903 -7.153 3.712 1.00 0.00 H new ATOM 0 HG LEU A 511 2.878 -9.106 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.532 -9.410 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.935 -7.735 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.543 -8.134 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.674 -10.772 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.690 -9.549 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 511 4.180 -10.092 4.403 1.00 0.00 H new ATOM 883 N LYS A 512 4.335 -6.121 6.511 1.00 0.00 N ATOM 884 CA LYS A 512 4.524 -4.889 7.267 1.00 0.00 C ATOM 885 C LYS A 512 5.789 -4.164 6.819 1.00 0.00 C ATOM 886 O LYS A 512 6.901 -4.653 7.019 1.00 0.00 O ATOM 887 CB LYS A 512 4.601 -5.192 8.765 1.00 0.00 C ATOM 888 CG LYS A 512 5.028 -4.001 9.606 1.00 0.00 C ATOM 889 CD LYS A 512 5.622 -4.440 10.933 1.00 0.00 C ATOM 890 CE LYS A 512 6.619 -3.421 11.463 1.00 0.00 C ATOM 891 NZ LYS A 512 7.453 -3.980 12.562 1.00 0.00 N ATOM 0 H LYS A 512 5.055 -6.826 6.669 1.00 0.00 H new ATOM 0 HA LYS A 512 3.668 -4.241 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.626 -5.537 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.303 -6.010 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.761 -3.410 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.169 -3.355 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.823 -4.581 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.116 -5.404 10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.265 -3.088 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.083 -2.543 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.119 -3.255 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.839 -4.274 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.984 -4.802 12.211 1.00 0.00 H new ATOM 905 N VAL A 513 5.612 -2.994 6.213 1.00 0.00 N ATOM 906 CA VAL A 513 6.740 -2.201 5.739 1.00 0.00 C ATOM 907 C VAL A 513 6.492 -0.712 5.953 1.00 0.00 C ATOM 908 O VAL A 513 5.385 -0.218 5.737 1.00 0.00 O ATOM 909 CB VAL A 513 7.016 -2.454 4.245 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.429 -2.023 3.883 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.793 -3.920 3.904 1.00 0.00 C ATOM 0 H VAL A 513 4.699 -2.575 6.039 1.00 0.00 H new ATOM 0 HA VAL A 513 7.610 -2.510 6.319 1.00 0.00 H new ATOM 0 HB VAL A 513 6.318 -1.857 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.606 -2.209 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.549 -0.960 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.146 -2.591 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 513 6.992 -4.082 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.466 -4.538 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.761 -4.192 4.125 1.00 0.00 H new ATOM 921 N LEU A 514 7.531 0.000 6.379 1.00 0.00 N ATOM 922 CA LEU A 514 7.427 1.434 6.622 1.00 0.00 C ATOM 923 C LEU A 514 7.076 2.180 5.339 1.00 0.00 C ATOM 924 O LEU A 514 7.372 1.732 4.231 1.00 0.00 O ATOM 925 CB LEU A 514 8.740 1.970 7.195 1.00 0.00 C ATOM 926 CG LEU A 514 9.107 1.488 8.599 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.551 1.836 8.923 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.167 2.090 9.633 1.00 0.00 C ATOM 0 H LEU A 514 8.454 -0.393 6.563 1.00 0.00 H new ATOM 0 HA LEU A 514 6.628 1.598 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.548 1.696 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.690 3.059 7.208 1.00 0.00 H new ATOM 0 HG LEU A 514 9.001 0.404 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 514 10.794 1.485 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.212 1.356 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.684 2.917 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.443 1.736 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.240 3.177 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.143 1.789 9.413 1.00 0.00 H new ATOM 940 N PRO A 515 6.433 3.348 5.490 1.00 0.00 N ATOM 941 CA PRO A 515 6.031 4.182 4.353 1.00 0.00 C ATOM 942 C PRO A 515 7.225 4.819 3.651 1.00 0.00 C ATOM 943 O PRO A 515 7.062 5.581 2.697 1.00 0.00 O ATOM 944 CB PRO A 515 5.153 5.258 4.997 1.00 0.00 C ATOM 945 CG PRO A 515 5.622 5.336 6.409 1.00 0.00 C ATOM 946 CD PRO A 515 6.049 3.943 6.781 1.00 0.00 C ATOM 0 HA PRO A 515 5.524 3.603 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.265 6.216 4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.098 4.991 4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.451 6.037 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 515 4.827 5.689 7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 515 6.883 3.952 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.240 3.388 7.255 1.00 0.00 H new ATOM 954 N ARG A 516 8.424 4.502 4.127 1.00 0.00 N ATOM 955 CA ARG A 516 9.646 5.044 3.545 1.00 0.00 C ATOM 956 C ARG A 516 10.265 4.054 2.562 1.00 0.00 C ATOM 957 O ARG A 516 11.258 4.360 1.901 1.00 0.00 O ATOM 958 CB ARG A 516 10.653 5.386 4.644 1.00 0.00 C ATOM 959 CG ARG A 516 11.260 4.164 5.315 1.00 0.00 C ATOM 960 CD ARG A 516 12.481 4.533 6.144 1.00 0.00 C ATOM 961 NE ARG A 516 12.116 5.224 7.377 1.00 0.00 N ATOM 962 CZ ARG A 516 12.951 5.400 8.395 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.192 4.938 8.327 1.00 0.00 N ATOM 964 NH2 ARG A 516 12.546 6.040 9.485 1.00 0.00 N ATOM 0 H ARG A 516 8.576 3.872 4.915 1.00 0.00 H new ATOM 0 HA ARG A 516 9.388 5.954 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.453 5.991 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.160 5.998 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.515 3.690 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.541 3.433 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.041 3.630 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.141 5.169 5.554 1.00 0.00 H new ATOM 0 HE ARG A 516 11.168 5.592 7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.508 4.446 7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 516 14.831 5.075 9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 516 11.592 6.397 9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 516 13.188 6.174 10.266 1.00 0.00 H new ATOM 978 N ASP A 517 9.673 2.869 2.472 1.00 0.00 N ATOM 979 CA ASP A 517 10.166 1.834 1.571 1.00 0.00 C ATOM 980 C ASP A 517 9.113 1.476 0.527 1.00 0.00 C ATOM 981 O ASP A 517 9.329 0.603 -0.315 1.00 0.00 O ATOM 982 CB ASP A 517 10.564 0.586 2.361 1.00 0.00 C ATOM 983 CG ASP A 517 11.497 0.903 3.512 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.547 1.533 3.268 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.179 0.520 4.658 1.00 0.00 O ATOM 0 H ASP A 517 8.850 2.601 3.012 1.00 0.00 H new ATOM 0 HA ASP A 517 11.044 2.224 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.667 0.102 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.047 -0.126 1.691 1.00 0.00 H new ATOM 990 N LEU A 518 7.973 2.156 0.587 1.00 0.00 N ATOM 991 CA LEU A 518 6.885 1.909 -0.353 1.00 0.00 C ATOM 992 C LEU A 518 6.654 3.122 -1.249 1.00 0.00 C ATOM 993 O LEU A 518 6.937 4.255 -0.860 1.00 0.00 O ATOM 994 CB LEU A 518 5.600 1.567 0.403 1.00 0.00 C ATOM 995 CG LEU A 518 5.695 0.411 1.399 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.519 0.439 2.363 1.00 0.00 C ATOM 997 CD2 LEU A 518 5.755 -0.921 0.666 1.00 0.00 C ATOM 0 H LEU A 518 7.778 2.882 1.276 1.00 0.00 H new ATOM 0 HA LEU A 518 7.165 1.064 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.270 2.457 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.825 1.329 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 518 6.613 0.527 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.604 -0.391 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.521 1.380 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.588 0.348 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 518 5.822 -1.732 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 518 4.855 -1.046 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 518 6.631 -0.940 0.017 1.00 0.00 H new ATOM 1009 N GLN A 519 6.136 2.876 -2.448 1.00 0.00 N ATOM 1010 CA GLN A 519 5.866 3.948 -3.398 1.00 0.00 C ATOM 1011 C GLN A 519 4.598 3.662 -4.195 1.00 0.00 C ATOM 1012 O GLN A 519 4.413 2.560 -4.713 1.00 0.00 O ATOM 1013 CB GLN A 519 7.051 4.128 -4.348 1.00 0.00 C ATOM 1014 CG GLN A 519 7.458 2.848 -5.061 1.00 0.00 C ATOM 1015 CD GLN A 519 8.346 3.107 -6.262 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.570 3.169 -6.143 1.00 0.00 O ATOM 1017 NE2 GLN A 519 7.732 3.259 -7.430 1.00 0.00 N ATOM 0 H GLN A 519 5.895 1.944 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 519 5.719 4.870 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.799 4.884 -5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 519 7.904 4.507 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.981 2.197 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.563 2.316 -5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 519 6.715 3.200 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.277 3.435 -8.274 1.00 0.00 H new ATOM 1026 N LEU A 520 3.727 4.661 -4.291 1.00 0.00 N ATOM 1027 CA LEU A 520 2.475 4.516 -5.026 1.00 0.00 C ATOM 1028 C LEU A 520 2.739 4.163 -6.486 1.00 0.00 C ATOM 1029 O LEU A 520 3.790 4.495 -7.036 1.00 0.00 O ATOM 1030 CB LEU A 520 1.659 5.807 -4.941 1.00 0.00 C ATOM 1031 CG LEU A 520 0.716 5.928 -3.744 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.141 7.333 -3.656 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.401 4.898 -3.840 1.00 0.00 C ATOM 0 H LEU A 520 3.865 5.580 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 520 1.907 3.704 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.350 6.649 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.070 5.901 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 520 1.286 5.734 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.528 7.399 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.952 8.052 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.414 7.557 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -1.063 4.998 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.969 5.061 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.028 3.896 -3.853 1.00 0.00 H new ATOM 1045 N CYS A 521 1.778 3.490 -7.109 1.00 0.00 N ATOM 1046 CA CYS A 521 1.905 3.092 -8.507 1.00 0.00 C ATOM 1047 C CYS A 521 1.300 4.146 -9.429 1.00 0.00 C ATOM 1048 O CYS A 521 0.080 4.244 -9.559 1.00 0.00 O ATOM 1049 CB CYS A 521 1.226 1.742 -8.739 1.00 0.00 C ATOM 1050 SG CYS A 521 1.050 1.294 -10.482 1.00 0.00 S ATOM 0 H CYS A 521 0.902 3.208 -6.668 1.00 0.00 H new ATOM 0 HA CYS A 521 2.966 3.000 -8.738 1.00 0.00 H new ATOM 0 HB2 CYS A 521 1.800 0.967 -8.232 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.238 1.760 -8.278 1.00 0.00 H new ATOM 0 HG CYS A 521 0.467 0.136 -10.576 1.00 0.00 H new ATOM 1056 N SER A 522 2.161 4.933 -10.066 1.00 0.00 N ATOM 1057 CA SER A 522 1.711 5.983 -10.972 1.00 0.00 C ATOM 1058 C SER A 522 0.777 6.954 -10.256 1.00 0.00 C ATOM 1059 O SER A 522 -0.333 7.218 -10.718 1.00 0.00 O ATOM 1060 CB SER A 522 1.001 5.372 -12.182 1.00 0.00 C ATOM 1061 OG SER A 522 1.805 4.383 -12.799 1.00 0.00 O ATOM 0 H SER A 522 3.174 4.863 -9.971 1.00 0.00 H new ATOM 0 HA SER A 522 2.587 6.534 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 522 0.054 4.932 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 522 0.765 6.155 -12.903 1.00 0.00 H new ATOM 0 HG SER A 522 1.328 4.007 -13.568 1.00 0.00 H new ATOM 1067 N GLU A 523 1.236 7.483 -9.126 1.00 0.00 N ATOM 1068 CA GLU A 523 0.441 8.424 -8.346 1.00 0.00 C ATOM 1069 C GLU A 523 -0.333 9.370 -9.259 1.00 0.00 C ATOM 1070 O GLU A 523 -1.435 9.806 -8.927 1.00 0.00 O ATOM 1071 CB GLU A 523 1.341 9.228 -7.405 1.00 0.00 C ATOM 1072 CG GLU A 523 2.528 9.871 -8.101 1.00 0.00 C ATOM 1073 CD GLU A 523 3.655 8.890 -8.359 1.00 0.00 C ATOM 1074 OE1 GLU A 523 3.640 8.238 -9.425 1.00 0.00 O ATOM 1075 OE2 GLU A 523 4.551 8.773 -7.497 1.00 0.00 O ATOM 0 H GLU A 523 2.153 7.276 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.274 7.853 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 523 0.747 10.006 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 523 1.706 8.571 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.200 10.300 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.900 10.694 -7.491 1.00 0.00 H new TER 1082 GLU A 523