USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 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 180:sc= 0 USER MOD Set 1.2: A 507 THR OG1 : rot -140:sc= -0.544 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 459 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= -1.94 K(o=-1.9,f=-3.1) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 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= -1.58 K(o=-1.6,f=-4.2!) 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 HD1:sc= -0.845 K(o=-0.85,f=-1.9) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -2.17 K(o=-2.2,f=-6.1!) USER MOD Single : A 521 CYS SG : rot -15:sc= 0.281 USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -19.833 20.257 12.168 1.00 0.00 N ATOM 2 CA GLY A 455 -20.578 20.625 13.358 1.00 0.00 C ATOM 3 C GLY A 455 -21.219 21.993 13.241 1.00 0.00 C ATOM 4 O GLY A 455 -20.855 22.920 13.965 1.00 0.00 O ATOM 0 HA2 GLY A 455 -21.351 19.880 13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -19.910 20.613 14.219 1.00 0.00 H new ATOM 8 N SER A 456 -22.174 22.122 12.326 1.00 0.00 N ATOM 9 CA SER A 456 -22.863 23.389 12.113 1.00 0.00 C ATOM 10 C SER A 456 -21.876 24.485 11.720 1.00 0.00 C ATOM 11 O SER A 456 -21.979 25.622 12.180 1.00 0.00 O ATOM 12 CB SER A 456 -23.622 23.800 13.376 1.00 0.00 C ATOM 13 OG SER A 456 -24.719 24.640 13.061 1.00 0.00 O ATOM 0 H SER A 456 -22.488 21.364 11.720 1.00 0.00 H new ATOM 0 HA SER A 456 -23.574 23.255 11.298 1.00 0.00 H new ATOM 0 HB2 SER A 456 -23.978 22.911 13.896 1.00 0.00 H new ATOM 0 HB3 SER A 456 -22.947 24.318 14.057 1.00 0.00 H new ATOM 0 HG SER A 456 -25.189 24.887 13.885 1.00 0.00 H new ATOM 19 N SER A 457 -20.920 24.132 10.867 1.00 0.00 N ATOM 20 CA SER A 457 -19.911 25.083 10.414 1.00 0.00 C ATOM 21 C SER A 457 -19.692 24.967 8.909 1.00 0.00 C ATOM 22 O SER A 457 -20.092 23.985 8.286 1.00 0.00 O ATOM 23 CB SER A 457 -18.592 24.850 11.153 1.00 0.00 C ATOM 24 OG SER A 457 -17.666 25.888 10.884 1.00 0.00 O ATOM 0 H SER A 457 -20.823 23.195 10.476 1.00 0.00 H new ATOM 0 HA SER A 457 -20.270 26.088 10.634 1.00 0.00 H new ATOM 0 HB2 SER A 457 -18.778 24.793 12.226 1.00 0.00 H new ATOM 0 HB3 SER A 457 -18.167 23.892 10.852 1.00 0.00 H new ATOM 0 HG SER A 457 -16.832 25.716 11.369 1.00 0.00 H new ATOM 30 N GLY A 458 -19.052 25.979 8.331 1.00 0.00 N ATOM 31 CA GLY A 458 -18.791 25.973 6.903 1.00 0.00 C ATOM 32 C GLY A 458 -17.967 24.776 6.470 1.00 0.00 C ATOM 33 O GLY A 458 -17.108 24.303 7.214 1.00 0.00 O ATOM 0 H GLY A 458 -18.710 26.803 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -19.738 25.973 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -18.268 26.889 6.628 1.00 0.00 H new ATOM 37 N SER A 459 -18.231 24.283 5.264 1.00 0.00 N ATOM 38 CA SER A 459 -17.512 23.130 4.736 1.00 0.00 C ATOM 39 C SER A 459 -16.661 23.525 3.533 1.00 0.00 C ATOM 40 O SER A 459 -17.175 24.024 2.532 1.00 0.00 O ATOM 41 CB SER A 459 -18.495 22.027 4.339 1.00 0.00 C ATOM 42 OG SER A 459 -19.321 21.662 5.432 1.00 0.00 O ATOM 0 H SER A 459 -18.937 24.664 4.635 1.00 0.00 H new ATOM 0 HA SER A 459 -16.853 22.755 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 459 -19.114 22.369 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 459 -17.945 21.154 3.988 1.00 0.00 H new ATOM 0 HG SER A 459 -19.941 20.957 5.152 1.00 0.00 H new ATOM 48 N SER A 460 -15.356 23.299 3.639 1.00 0.00 N ATOM 49 CA SER A 460 -14.431 23.634 2.563 1.00 0.00 C ATOM 50 C SER A 460 -14.767 22.854 1.295 1.00 0.00 C ATOM 51 O SER A 460 -14.948 21.638 1.331 1.00 0.00 O ATOM 52 CB SER A 460 -12.991 23.342 2.988 1.00 0.00 C ATOM 53 OG SER A 460 -12.443 24.428 3.714 1.00 0.00 O ATOM 0 H SER A 460 -14.915 22.885 4.460 1.00 0.00 H new ATOM 0 HA SER A 460 -14.530 24.699 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 460 -12.965 22.441 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 460 -12.381 23.145 2.106 1.00 0.00 H new ATOM 0 HG SER A 460 -11.523 24.216 3.975 1.00 0.00 H new ATOM 59 N GLY A 461 -14.849 23.565 0.174 1.00 0.00 N ATOM 60 CA GLY A 461 -15.163 22.924 -1.089 1.00 0.00 C ATOM 61 C GLY A 461 -16.584 22.398 -1.135 1.00 0.00 C ATOM 62 O GLY A 461 -17.200 22.164 -0.095 1.00 0.00 O ATOM 0 H GLY A 461 -14.704 24.573 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -15.016 23.636 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -14.469 22.101 -1.258 1.00 0.00 H new ATOM 66 N GLU A 462 -17.107 22.213 -2.343 1.00 0.00 N ATOM 67 CA GLU A 462 -18.465 21.714 -2.519 1.00 0.00 C ATOM 68 C GLU A 462 -18.487 20.514 -3.462 1.00 0.00 C ATOM 69 O GLU A 462 -18.979 19.442 -3.110 1.00 0.00 O ATOM 70 CB GLU A 462 -19.373 22.820 -3.062 1.00 0.00 C ATOM 71 CG GLU A 462 -20.796 22.361 -3.334 1.00 0.00 C ATOM 72 CD GLU A 462 -21.635 22.287 -2.074 1.00 0.00 C ATOM 73 OE1 GLU A 462 -21.391 23.089 -1.149 1.00 0.00 O ATOM 74 OE2 GLU A 462 -22.537 21.425 -2.013 1.00 0.00 O ATOM 0 H GLU A 462 -16.611 22.401 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 462 -18.836 21.395 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -19.396 23.643 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -18.944 23.211 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -21.266 23.046 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -20.773 21.380 -3.809 1.00 0.00 H new ATOM 81 N PHE A 463 -17.950 20.704 -4.663 1.00 0.00 N ATOM 82 CA PHE A 463 -17.908 19.639 -5.658 1.00 0.00 C ATOM 83 C PHE A 463 -17.110 18.444 -5.143 1.00 0.00 C ATOM 84 O PHE A 463 -16.136 18.588 -4.405 1.00 0.00 O ATOM 85 CB PHE A 463 -17.294 20.154 -6.961 1.00 0.00 C ATOM 86 CG PHE A 463 -18.065 21.282 -7.583 1.00 0.00 C ATOM 87 CD1 PHE A 463 -19.431 21.175 -7.788 1.00 0.00 C ATOM 88 CD2 PHE A 463 -17.425 22.451 -7.963 1.00 0.00 C ATOM 89 CE1 PHE A 463 -20.145 22.212 -8.360 1.00 0.00 C ATOM 90 CE2 PHE A 463 -18.132 23.491 -8.534 1.00 0.00 C ATOM 91 CZ PHE A 463 -19.494 23.371 -8.734 1.00 0.00 C ATOM 0 H PHE A 463 -17.538 21.585 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 463 -18.931 19.314 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -16.274 20.486 -6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -17.231 19.331 -7.673 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -19.945 20.270 -7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -16.360 22.550 -7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -21.210 22.116 -8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -17.621 24.397 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 463 -20.048 24.182 -9.182 1.00 0.00 H new ATOM 101 N PRO A 464 -17.533 17.235 -5.542 1.00 0.00 N ATOM 102 CA PRO A 464 -16.872 15.992 -5.134 1.00 0.00 C ATOM 103 C PRO A 464 -15.497 15.829 -5.771 1.00 0.00 C ATOM 104 O PRO A 464 -15.375 15.329 -6.889 1.00 0.00 O ATOM 105 CB PRO A 464 -17.825 14.903 -5.634 1.00 0.00 C ATOM 106 CG PRO A 464 -18.555 15.532 -6.770 1.00 0.00 C ATOM 107 CD PRO A 464 -18.687 16.989 -6.422 1.00 0.00 C ATOM 0 HA PRO A 464 -16.692 15.961 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -17.279 14.016 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -18.512 14.586 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -18.009 15.402 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -19.534 15.073 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -18.656 17.619 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -19.630 17.198 -5.916 1.00 0.00 H new ATOM 115 N ALA A 465 -14.463 16.255 -5.053 1.00 0.00 N ATOM 116 CA ALA A 465 -13.095 16.155 -5.548 1.00 0.00 C ATOM 117 C ALA A 465 -12.353 15.003 -4.879 1.00 0.00 C ATOM 118 O ALA A 465 -12.906 14.308 -4.027 1.00 0.00 O ATOM 119 CB ALA A 465 -12.355 17.464 -5.322 1.00 0.00 C ATOM 0 H ALA A 465 -14.547 16.673 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 465 -13.136 15.954 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -11.335 17.375 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -12.867 18.267 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -12.332 17.689 -4.256 1.00 0.00 H new ATOM 125 N GLN A 466 -11.098 14.806 -5.271 1.00 0.00 N ATOM 126 CA GLN A 466 -10.282 13.737 -4.710 1.00 0.00 C ATOM 127 C GLN A 466 -8.896 14.251 -4.334 1.00 0.00 C ATOM 128 O GLN A 466 -8.406 15.221 -4.911 1.00 0.00 O ATOM 129 CB GLN A 466 -10.158 12.584 -5.708 1.00 0.00 C ATOM 130 CG GLN A 466 -9.389 12.949 -6.967 1.00 0.00 C ATOM 131 CD GLN A 466 -10.116 13.970 -7.819 1.00 0.00 C ATOM 132 OE1 GLN A 466 -11.345 13.964 -7.903 1.00 0.00 O ATOM 133 NE2 GLN A 466 -9.360 14.856 -8.458 1.00 0.00 N ATOM 0 H GLN A 466 -10.625 15.373 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 466 -10.773 13.375 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -9.663 11.744 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -11.156 12.247 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -8.411 13.343 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -9.214 12.048 -7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -8.345 14.825 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -9.794 15.567 -9.046 1.00 0.00 H new ATOM 142 N GLU A 467 -8.270 13.593 -3.362 1.00 0.00 N ATOM 143 CA GLU A 467 -6.941 13.986 -2.909 1.00 0.00 C ATOM 144 C GLU A 467 -5.887 13.656 -3.963 1.00 0.00 C ATOM 145 O GLU A 467 -5.948 12.611 -4.613 1.00 0.00 O ATOM 146 CB GLU A 467 -6.599 13.284 -1.593 1.00 0.00 C ATOM 147 CG GLU A 467 -7.279 13.899 -0.381 1.00 0.00 C ATOM 148 CD GLU A 467 -8.740 14.216 -0.631 1.00 0.00 C ATOM 149 OE1 GLU A 467 -9.492 13.295 -1.013 1.00 0.00 O ATOM 150 OE2 GLU A 467 -9.133 15.387 -0.444 1.00 0.00 O ATOM 0 H GLU A 467 -8.661 12.787 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 467 -6.944 15.064 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -6.884 12.235 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -5.519 13.311 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -7.199 13.214 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -6.756 14.813 -0.100 1.00 0.00 H new ATOM 157 N LEU A 468 -4.922 14.553 -4.127 1.00 0.00 N ATOM 158 CA LEU A 468 -3.854 14.359 -5.102 1.00 0.00 C ATOM 159 C LEU A 468 -2.487 14.399 -4.427 1.00 0.00 C ATOM 160 O LEU A 468 -1.537 14.973 -4.959 1.00 0.00 O ATOM 161 CB LEU A 468 -3.929 15.432 -6.190 1.00 0.00 C ATOM 162 CG LEU A 468 -5.206 15.445 -7.032 1.00 0.00 C ATOM 163 CD1 LEU A 468 -5.388 16.798 -7.703 1.00 0.00 C ATOM 164 CD2 LEU A 468 -5.172 14.333 -8.069 1.00 0.00 C ATOM 0 H LEU A 468 -4.857 15.422 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.986 13.378 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.819 16.408 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.078 15.303 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 468 -6.056 15.272 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -6.301 16.789 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -5.458 17.575 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -4.535 17.001 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -6.088 14.357 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -4.314 14.474 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -5.090 13.369 -7.566 1.00 0.00 H new ATOM 176 N ARG A 469 -2.394 13.783 -3.253 1.00 0.00 N ATOM 177 CA ARG A 469 -1.143 13.747 -2.505 1.00 0.00 C ATOM 178 C ARG A 469 -0.548 12.342 -2.508 1.00 0.00 C ATOM 179 O ARG A 469 -1.220 11.372 -2.862 1.00 0.00 O ATOM 180 CB ARG A 469 -1.370 14.213 -1.066 1.00 0.00 C ATOM 181 CG ARG A 469 -1.971 15.605 -0.965 1.00 0.00 C ATOM 182 CD ARG A 469 -0.915 16.683 -1.155 1.00 0.00 C ATOM 183 NE ARG A 469 -1.257 17.915 -0.450 1.00 0.00 N ATOM 184 CZ ARG A 469 -0.393 18.900 -0.229 1.00 0.00 C ATOM 185 NH1 ARG A 469 0.858 18.797 -0.657 1.00 0.00 N ATOM 186 NH2 ARG A 469 -0.780 19.991 0.420 1.00 0.00 N ATOM 0 H ARG A 469 -3.170 13.302 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 469 -0.439 14.422 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -2.028 13.505 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -0.419 14.197 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -2.751 15.721 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -2.447 15.727 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 469 0.047 16.315 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -0.800 16.894 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 469 -2.212 18.026 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 469 1.159 17.960 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 469 1.519 19.554 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -1.742 20.074 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -0.116 20.746 0.589 1.00 0.00 H new ATOM 200 N LYS A 470 0.716 12.239 -2.112 1.00 0.00 N ATOM 201 CA LYS A 470 1.402 10.953 -2.068 1.00 0.00 C ATOM 202 C LYS A 470 1.357 10.360 -0.663 1.00 0.00 C ATOM 203 O LYS A 470 2.303 10.503 0.112 1.00 0.00 O ATOM 204 CB LYS A 470 2.856 11.112 -2.519 1.00 0.00 C ATOM 205 CG LYS A 470 3.000 11.509 -3.978 1.00 0.00 C ATOM 206 CD LYS A 470 4.434 11.883 -4.316 1.00 0.00 C ATOM 207 CE LYS A 470 4.697 11.788 -5.811 1.00 0.00 C ATOM 208 NZ LYS A 470 5.039 10.400 -6.227 1.00 0.00 N ATOM 0 H LYS A 470 1.287 13.031 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 470 0.889 10.272 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 470 3.340 11.865 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 470 3.384 10.173 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 470 2.679 10.684 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.343 12.352 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 470 4.637 12.898 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 470 5.119 11.224 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 470 3.815 12.124 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 470 5.513 12.459 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 5.211 10.377 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 5.895 10.088 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 4.250 9.763 -5.994 1.00 0.00 H new ATOM 222 N TYR A 471 0.254 9.694 -0.343 1.00 0.00 N ATOM 223 CA TYR A 471 0.085 9.080 0.969 1.00 0.00 C ATOM 224 C TYR A 471 -0.522 7.686 0.844 1.00 0.00 C ATOM 225 O TYR A 471 -1.655 7.528 0.390 1.00 0.00 O ATOM 226 CB TYR A 471 -0.801 9.957 1.856 1.00 0.00 C ATOM 227 CG TYR A 471 -0.241 11.342 2.090 1.00 0.00 C ATOM 228 CD1 TYR A 471 1.044 11.518 2.588 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.997 12.474 1.812 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.558 12.782 2.805 1.00 0.00 C ATOM 231 CE2 TYR A 471 -0.490 13.741 2.024 1.00 0.00 C ATOM 232 CZ TYR A 471 0.788 13.890 2.521 1.00 0.00 C ATOM 233 OH TYR A 471 1.298 15.150 2.734 1.00 0.00 O ATOM 0 H TYR A 471 -0.537 9.565 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 471 1.069 8.988 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.786 10.045 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.940 9.463 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.651 10.653 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.998 12.361 1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 471 2.558 12.902 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -1.091 14.610 1.802 1.00 0.00 H new ATOM 0 HH TYR A 471 0.629 15.821 2.482 1.00 0.00 H new ATOM 243 N PHE A 472 0.241 6.677 1.252 1.00 0.00 N ATOM 244 CA PHE A 472 -0.220 5.295 1.186 1.00 0.00 C ATOM 245 C PHE A 472 -1.482 5.102 2.021 1.00 0.00 C ATOM 246 O PHE A 472 -1.421 5.011 3.248 1.00 0.00 O ATOM 247 CB PHE A 472 0.877 4.346 1.672 1.00 0.00 C ATOM 248 CG PHE A 472 2.225 4.630 1.073 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.364 4.828 -0.291 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.353 4.699 1.874 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.602 5.090 -0.846 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.595 4.961 1.326 1.00 0.00 C ATOM 253 CZ PHE A 472 4.719 5.156 -0.036 1.00 0.00 C ATOM 0 H PHE A 472 1.181 6.790 1.632 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.455 5.066 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.949 4.413 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.591 3.321 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.494 4.777 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.261 4.546 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.696 5.243 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.467 5.013 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.688 5.360 -0.467 1.00 0.00 H new ATOM 263 N LYS A 473 -2.626 5.042 1.348 1.00 0.00 N ATOM 264 CA LYS A 473 -3.904 4.860 2.026 1.00 0.00 C ATOM 265 C LYS A 473 -4.605 3.598 1.534 1.00 0.00 C ATOM 266 O LYS A 473 -4.448 3.198 0.381 1.00 0.00 O ATOM 267 CB LYS A 473 -4.803 6.077 1.799 1.00 0.00 C ATOM 268 CG LYS A 473 -4.242 7.364 2.379 1.00 0.00 C ATOM 269 CD LYS A 473 -5.114 8.559 2.031 1.00 0.00 C ATOM 270 CE LYS A 473 -4.641 9.819 2.740 1.00 0.00 C ATOM 271 NZ LYS A 473 -5.512 10.988 2.432 1.00 0.00 N ATOM 0 H LYS A 473 -2.694 5.117 0.333 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.709 4.754 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.959 6.208 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.780 5.884 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.164 7.272 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -3.233 7.526 2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.100 8.720 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.147 8.350 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -4.630 9.648 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -3.616 10.041 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -5.157 11.827 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -5.503 11.167 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -6.485 10.787 2.740 1.00 0.00 H new ATOM 285 N MET A 474 -5.381 2.975 2.416 1.00 0.00 N ATOM 286 CA MET A 474 -6.108 1.760 2.069 1.00 0.00 C ATOM 287 C MET A 474 -6.732 1.876 0.682 1.00 0.00 C ATOM 288 O MET A 474 -7.243 2.931 0.308 1.00 0.00 O ATOM 289 CB MET A 474 -7.196 1.477 3.108 1.00 0.00 C ATOM 290 CG MET A 474 -7.577 0.009 3.204 1.00 0.00 C ATOM 291 SD MET A 474 -8.845 -0.300 4.448 1.00 0.00 S ATOM 292 CE MET A 474 -10.321 -0.306 3.433 1.00 0.00 C ATOM 0 H MET A 474 -5.522 3.292 3.375 1.00 0.00 H new ATOM 0 HA MET A 474 -5.399 0.932 2.061 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.853 1.819 4.084 1.00 0.00 H new ATOM 0 HB3 MET A 474 -8.084 2.059 2.860 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.935 -0.334 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.690 -0.578 3.442 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.194 -0.486 4.061 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.424 0.658 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.244 -1.094 2.684 1.00 0.00 H new ATOM 302 N GLY A 475 -6.685 0.785 -0.077 1.00 0.00 N ATOM 303 CA GLY A 475 -7.249 0.787 -1.414 1.00 0.00 C ATOM 304 C GLY A 475 -6.207 1.059 -2.481 1.00 0.00 C ATOM 305 O GLY A 475 -6.119 0.333 -3.472 1.00 0.00 O ATOM 0 H GLY A 475 -6.267 -0.100 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.720 -0.176 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.032 1.543 -1.474 1.00 0.00 H new ATOM 309 N ASP A 476 -5.418 2.109 -2.282 1.00 0.00 N ATOM 310 CA ASP A 476 -4.378 2.476 -3.235 1.00 0.00 C ATOM 311 C ASP A 476 -3.332 1.371 -3.351 1.00 0.00 C ATOM 312 O ASP A 476 -3.108 0.613 -2.407 1.00 0.00 O ATOM 313 CB ASP A 476 -3.710 3.786 -2.815 1.00 0.00 C ATOM 314 CG ASP A 476 -4.531 5.003 -3.193 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.767 4.871 -3.307 1.00 0.00 O ATOM 316 OD2 ASP A 476 -3.938 6.086 -3.375 1.00 0.00 O ATOM 0 H ASP A 476 -5.479 2.721 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.846 2.612 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.551 3.780 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.727 3.855 -3.282 1.00 0.00 H new ATOM 321 N HIS A 477 -2.696 1.286 -4.515 1.00 0.00 N ATOM 322 CA HIS A 477 -1.674 0.273 -4.755 1.00 0.00 C ATOM 323 C HIS A 477 -0.281 0.829 -4.473 1.00 0.00 C ATOM 324 O HIS A 477 0.080 1.901 -4.958 1.00 0.00 O ATOM 325 CB HIS A 477 -1.753 -0.231 -6.196 1.00 0.00 C ATOM 326 CG HIS A 477 -0.556 -1.025 -6.619 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.251 -0.664 -7.678 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.030 -2.168 -6.120 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.221 -1.551 -7.811 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.074 -2.474 -6.878 1.00 0.00 N ATOM 0 H HIS A 477 -2.870 1.906 -5.306 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.857 -0.560 -4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.645 -0.847 -6.308 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.868 0.622 -6.865 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.408 -2.734 -5.282 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.002 -1.526 -8.557 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.681 -3.282 -6.742 1.00 0.00 H new ATOM 338 N VAL A 478 0.497 0.093 -3.686 1.00 0.00 N ATOM 339 CA VAL A 478 1.850 0.512 -3.340 1.00 0.00 C ATOM 340 C VAL A 478 2.868 -0.562 -3.705 1.00 0.00 C ATOM 341 O VAL A 478 2.527 -1.737 -3.841 1.00 0.00 O ATOM 342 CB VAL A 478 1.972 0.830 -1.838 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.359 2.187 -1.528 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.316 -0.263 -1.007 1.00 0.00 C ATOM 0 H VAL A 478 0.213 -0.797 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 478 2.058 1.415 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 478 3.030 0.868 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.455 2.394 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.878 2.959 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.304 2.181 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.412 -0.022 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.260 -0.335 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 478 1.805 -1.216 -1.208 1.00 0.00 H new ATOM 354 N LYS A 479 4.122 -0.151 -3.864 1.00 0.00 N ATOM 355 CA LYS A 479 5.193 -1.077 -4.212 1.00 0.00 C ATOM 356 C LYS A 479 6.358 -0.952 -3.237 1.00 0.00 C ATOM 357 O LYS A 479 6.625 0.126 -2.706 1.00 0.00 O ATOM 358 CB LYS A 479 5.678 -0.814 -5.640 1.00 0.00 C ATOM 359 CG LYS A 479 7.132 -1.190 -5.867 1.00 0.00 C ATOM 360 CD LYS A 479 7.470 -1.243 -7.347 1.00 0.00 C ATOM 361 CE LYS A 479 8.962 -1.433 -7.572 1.00 0.00 C ATOM 362 NZ LYS A 479 9.409 -0.837 -8.862 1.00 0.00 N ATOM 0 H LYS A 479 4.421 0.818 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 479 4.798 -2.091 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.054 -1.374 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.544 0.243 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.778 -0.465 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.333 -2.160 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.923 -2.060 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.143 -0.322 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.514 -0.977 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.198 -2.497 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.431 -0.988 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.901 -1.290 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.207 0.183 -8.861 1.00 0.00 H new ATOM 376 N VAL A 480 7.051 -2.063 -3.005 1.00 0.00 N ATOM 377 CA VAL A 480 8.191 -2.077 -2.095 1.00 0.00 C ATOM 378 C VAL A 480 9.505 -1.965 -2.858 1.00 0.00 C ATOM 379 O VAL A 480 9.810 -2.795 -3.716 1.00 0.00 O ATOM 380 CB VAL A 480 8.212 -3.360 -1.243 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.206 -3.226 -0.100 1.00 0.00 C ATOM 382 CG2 VAL A 480 6.820 -3.673 -0.716 1.00 0.00 C ATOM 0 H VAL A 480 6.843 -2.965 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 480 8.082 -1.214 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 480 8.531 -4.189 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.207 -4.142 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.204 -3.054 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 480 8.921 -2.386 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 480 6.854 -4.583 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.470 -2.845 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.137 -3.816 -1.554 1.00 0.00 H new ATOM 392 N ILE A 481 10.281 -0.934 -2.541 1.00 0.00 N ATOM 393 CA ILE A 481 11.564 -0.714 -3.196 1.00 0.00 C ATOM 394 C ILE A 481 12.721 -1.120 -2.289 1.00 0.00 C ATOM 395 O ILE A 481 13.815 -1.426 -2.762 1.00 0.00 O ATOM 396 CB ILE A 481 11.742 0.760 -3.607 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.806 1.653 -2.366 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.606 1.195 -4.521 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.066 3.109 -2.683 1.00 0.00 C ATOM 0 H ILE A 481 10.043 -0.238 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 481 11.571 -1.336 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 481 12.680 0.860 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.866 1.570 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.592 1.287 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.745 2.239 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.602 0.574 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.656 1.084 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.099 3.683 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.020 3.204 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.267 3.491 -3.319 1.00 0.00 H new ATOM 411 N ALA A 482 12.470 -1.122 -0.984 1.00 0.00 N ATOM 412 CA ALA A 482 13.490 -1.494 -0.011 1.00 0.00 C ATOM 413 C ALA A 482 12.873 -2.224 1.178 1.00 0.00 C ATOM 414 O ALA A 482 11.667 -2.465 1.213 1.00 0.00 O ATOM 415 CB ALA A 482 14.246 -0.261 0.459 1.00 0.00 C ATOM 0 H ALA A 482 11.570 -0.870 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 482 14.191 -2.172 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.004 -0.554 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.726 0.218 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.550 0.438 0.923 1.00 0.00 H new ATOM 421 N GLY A 483 13.709 -2.573 2.151 1.00 0.00 N ATOM 422 CA GLY A 483 13.228 -3.272 3.327 1.00 0.00 C ATOM 423 C GLY A 483 13.465 -4.767 3.251 1.00 0.00 C ATOM 424 O GLY A 483 14.398 -5.221 2.589 1.00 0.00 O ATOM 0 H GLY A 483 14.711 -2.384 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.725 -2.873 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.161 -3.082 3.448 1.00 0.00 H new ATOM 428 N ARG A 484 12.619 -5.535 3.931 1.00 0.00 N ATOM 429 CA ARG A 484 12.743 -6.987 3.940 1.00 0.00 C ATOM 430 C ARG A 484 11.944 -7.608 2.798 1.00 0.00 C ATOM 431 O ARG A 484 12.001 -8.817 2.572 1.00 0.00 O ATOM 432 CB ARG A 484 12.265 -7.553 5.278 1.00 0.00 C ATOM 433 CG ARG A 484 12.962 -8.844 5.677 1.00 0.00 C ATOM 434 CD ARG A 484 12.095 -9.682 6.604 1.00 0.00 C ATOM 435 NE ARG A 484 12.310 -9.345 8.008 1.00 0.00 N ATOM 436 CZ ARG A 484 13.309 -9.833 8.736 1.00 0.00 C ATOM 437 NH1 ARG A 484 14.179 -10.674 8.194 1.00 0.00 N ATOM 438 NH2 ARG A 484 13.439 -9.479 10.008 1.00 0.00 N ATOM 0 H ARG A 484 11.840 -5.175 4.483 1.00 0.00 H new ATOM 0 HA ARG A 484 13.795 -7.237 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.426 -6.807 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.191 -7.731 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 484 13.203 -9.420 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.906 -8.612 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 484 11.045 -9.532 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 484 12.313 -10.738 6.447 1.00 0.00 H new ATOM 0 HE ARG A 484 11.658 -8.700 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 484 14.082 -10.948 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 484 14.945 -11.047 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 484 12.772 -8.832 10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 484 14.206 -9.854 10.566 1.00 0.00 H new ATOM 452 N PHE A 485 11.200 -6.772 2.081 1.00 0.00 N ATOM 453 CA PHE A 485 10.388 -7.239 0.963 1.00 0.00 C ATOM 454 C PHE A 485 10.671 -6.421 -0.294 1.00 0.00 C ATOM 455 O PHE A 485 9.764 -6.124 -1.070 1.00 0.00 O ATOM 456 CB PHE A 485 8.901 -7.155 1.315 1.00 0.00 C ATOM 457 CG PHE A 485 8.562 -7.784 2.637 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.664 -7.057 3.812 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.141 -9.103 2.703 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.352 -7.633 5.029 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.828 -9.684 3.917 1.00 0.00 C ATOM 462 CZ PHE A 485 7.934 -8.948 5.082 1.00 0.00 C ATOM 0 H PHE A 485 11.143 -5.768 2.254 1.00 0.00 H new ATOM 0 HA PHE A 485 10.650 -8.279 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.598 -6.108 1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.322 -7.642 0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 485 8.991 -6.028 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.057 -9.683 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.435 -7.055 5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.501 -10.713 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.690 -9.400 6.032 1.00 0.00 H new ATOM 472 N GLU A 486 11.936 -6.062 -0.486 1.00 0.00 N ATOM 473 CA GLU A 486 12.339 -5.277 -1.647 1.00 0.00 C ATOM 474 C GLU A 486 11.967 -5.993 -2.943 1.00 0.00 C ATOM 475 O GLU A 486 12.157 -7.202 -3.073 1.00 0.00 O ATOM 476 CB GLU A 486 13.845 -5.010 -1.613 1.00 0.00 C ATOM 477 CG GLU A 486 14.353 -4.235 -2.817 1.00 0.00 C ATOM 478 CD GLU A 486 14.777 -5.141 -3.957 1.00 0.00 C ATOM 479 OE1 GLU A 486 15.854 -5.764 -3.851 1.00 0.00 O ATOM 480 OE2 GLU A 486 14.031 -5.227 -4.955 1.00 0.00 O ATOM 0 H GLU A 486 12.699 -6.302 0.147 1.00 0.00 H new ATOM 0 HA GLU A 486 11.808 -4.325 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.087 -4.456 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.373 -5.962 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.572 -3.560 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 486 15.198 -3.616 -2.516 1.00 0.00 H new ATOM 487 N GLY A 487 11.436 -5.237 -3.899 1.00 0.00 N ATOM 488 CA GLY A 487 11.045 -5.815 -5.171 1.00 0.00 C ATOM 489 C GLY A 487 9.683 -6.477 -5.113 1.00 0.00 C ATOM 490 O GLY A 487 9.334 -7.274 -5.985 1.00 0.00 O ATOM 0 H GLY A 487 11.270 -4.234 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 487 11.034 -5.035 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.790 -6.550 -5.477 1.00 0.00 H new ATOM 494 N ASP A 488 8.911 -6.149 -4.083 1.00 0.00 N ATOM 495 CA ASP A 488 7.578 -6.717 -3.914 1.00 0.00 C ATOM 496 C ASP A 488 6.503 -5.666 -4.167 1.00 0.00 C ATOM 497 O ASP A 488 6.802 -4.484 -4.343 1.00 0.00 O ATOM 498 CB ASP A 488 7.422 -7.296 -2.507 1.00 0.00 C ATOM 499 CG ASP A 488 8.409 -8.412 -2.227 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.627 -8.177 -2.369 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.963 -9.521 -1.866 1.00 0.00 O ATOM 0 H ASP A 488 9.185 -5.493 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 488 7.456 -7.518 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.559 -6.502 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.407 -7.673 -2.383 1.00 0.00 H new ATOM 506 N THR A 489 5.247 -6.103 -4.186 1.00 0.00 N ATOM 507 CA THR A 489 4.127 -5.201 -4.420 1.00 0.00 C ATOM 508 C THR A 489 2.861 -5.707 -3.737 1.00 0.00 C ATOM 509 O THR A 489 2.755 -6.886 -3.401 1.00 0.00 O ATOM 510 CB THR A 489 3.850 -5.028 -5.925 1.00 0.00 C ATOM 511 OG1 THR A 489 3.558 -6.297 -6.519 1.00 0.00 O ATOM 512 CG2 THR A 489 5.045 -4.398 -6.626 1.00 0.00 C ATOM 0 H THR A 489 4.981 -7.077 -4.042 1.00 0.00 H new ATOM 0 HA THR A 489 4.405 -4.236 -3.996 1.00 0.00 H new ATOM 0 HB THR A 489 2.991 -4.367 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.381 -6.178 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.826 -4.286 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.247 -3.419 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.919 -5.038 -6.501 1.00 0.00 H new ATOM 520 N GLY A 490 1.903 -4.808 -3.536 1.00 0.00 N ATOM 521 CA GLY A 490 0.656 -5.184 -2.895 1.00 0.00 C ATOM 522 C GLY A 490 -0.275 -4.003 -2.702 1.00 0.00 C ATOM 523 O GLY A 490 0.073 -2.868 -3.029 1.00 0.00 O ATOM 0 H GLY A 490 1.968 -3.826 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.156 -5.943 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.870 -5.636 -1.927 1.00 0.00 H new ATOM 527 N LEU A 491 -1.464 -4.270 -2.172 1.00 0.00 N ATOM 528 CA LEU A 491 -2.450 -3.221 -1.937 1.00 0.00 C ATOM 529 C LEU A 491 -2.494 -2.835 -0.462 1.00 0.00 C ATOM 530 O LEU A 491 -2.153 -3.635 0.409 1.00 0.00 O ATOM 531 CB LEU A 491 -3.834 -3.683 -2.397 1.00 0.00 C ATOM 532 CG LEU A 491 -4.194 -3.379 -3.851 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.415 -4.179 -4.277 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.439 -1.889 -4.040 1.00 0.00 C ATOM 0 H LEU A 491 -1.768 -5.204 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.156 -2.344 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.905 -4.760 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.582 -3.219 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.354 -3.672 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.656 -3.950 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.204 -5.244 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.261 -3.918 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.694 -1.691 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.261 -1.571 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.538 -1.336 -3.776 1.00 0.00 H new ATOM 546 N ILE A 492 -2.917 -1.605 -0.190 1.00 0.00 N ATOM 547 CA ILE A 492 -3.009 -1.115 1.179 1.00 0.00 C ATOM 548 C ILE A 492 -4.312 -1.558 1.836 1.00 0.00 C ATOM 549 O ILE A 492 -5.400 -1.224 1.368 1.00 0.00 O ATOM 550 CB ILE A 492 -2.916 0.421 1.234 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.705 0.910 0.436 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.831 0.895 2.678 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.656 2.413 0.271 1.00 0.00 C ATOM 0 H ILE A 492 -3.201 -0.930 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.167 -1.542 1.724 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.817 0.841 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.794 0.577 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.718 0.445 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.766 1.983 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.721 0.573 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.946 0.469 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.772 2.687 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.550 2.751 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.611 2.885 1.252 1.00 0.00 H new ATOM 565 N VAL A 493 -4.193 -2.311 2.925 1.00 0.00 N ATOM 566 CA VAL A 493 -5.362 -2.798 3.648 1.00 0.00 C ATOM 567 C VAL A 493 -5.469 -2.145 5.022 1.00 0.00 C ATOM 568 O VAL A 493 -6.560 -2.024 5.580 1.00 0.00 O ATOM 569 CB VAL A 493 -5.318 -4.328 3.821 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.687 -5.023 2.520 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.943 -4.770 4.300 1.00 0.00 C ATOM 0 H VAL A 493 -3.300 -2.597 3.326 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.236 -2.532 3.053 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.050 -4.612 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.650 -6.103 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.694 -4.730 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.981 -4.735 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.929 -5.854 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.191 -4.475 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.723 -4.299 5.258 1.00 0.00 H new ATOM 581 N ARG A 494 -4.329 -1.725 5.561 1.00 0.00 N ATOM 582 CA ARG A 494 -4.295 -1.084 6.871 1.00 0.00 C ATOM 583 C ARG A 494 -3.007 -0.286 7.051 1.00 0.00 C ATOM 584 O ARG A 494 -1.908 -0.836 6.979 1.00 0.00 O ATOM 585 CB ARG A 494 -4.418 -2.132 7.978 1.00 0.00 C ATOM 586 CG ARG A 494 -5.042 -1.597 9.256 1.00 0.00 C ATOM 587 CD ARG A 494 -4.640 -2.430 10.464 1.00 0.00 C ATOM 588 NE ARG A 494 -5.147 -1.865 11.711 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.076 -2.488 12.883 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.521 -3.689 12.966 1.00 0.00 N ATOM 591 NH2 ARG A 494 -5.560 -1.909 13.974 1.00 0.00 N ATOM 0 H ARG A 494 -3.418 -1.817 5.112 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.139 -0.398 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -5.017 -2.966 7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.428 -2.527 8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -4.734 -0.562 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -6.128 -1.595 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.018 -3.446 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.553 -2.498 10.512 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.579 -0.942 11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -4.147 -4.137 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -4.468 -4.165 13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -5.987 -0.985 13.914 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -5.505 -2.388 14.873 1.00 0.00 H new ATOM 605 N VAL A 495 -3.151 1.014 7.287 1.00 0.00 N ATOM 606 CA VAL A 495 -2.000 1.888 7.479 1.00 0.00 C ATOM 607 C VAL A 495 -1.893 2.346 8.929 1.00 0.00 C ATOM 608 O VAL A 495 -2.903 2.537 9.605 1.00 0.00 O ATOM 609 CB VAL A 495 -2.077 3.126 6.566 1.00 0.00 C ATOM 610 CG1 VAL A 495 -0.749 3.869 6.559 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.478 2.723 5.155 1.00 0.00 C ATOM 0 H VAL A 495 -4.053 1.485 7.350 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.115 1.307 7.218 1.00 0.00 H new ATOM 0 HB VAL A 495 -2.840 3.798 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -0.823 4.740 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.507 4.192 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 495 0.036 3.208 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -2.528 3.610 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.740 2.030 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.455 2.239 5.178 1.00 0.00 H new ATOM 621 N GLU A 496 -0.662 2.521 9.400 1.00 0.00 N ATOM 622 CA GLU A 496 -0.423 2.956 10.771 1.00 0.00 C ATOM 623 C GLU A 496 0.590 4.096 10.811 1.00 0.00 C ATOM 624 O GLU A 496 1.463 4.194 9.949 1.00 0.00 O ATOM 625 CB GLU A 496 0.074 1.786 11.622 1.00 0.00 C ATOM 626 CG GLU A 496 -0.945 0.669 11.776 1.00 0.00 C ATOM 627 CD GLU A 496 -2.184 1.110 12.531 1.00 0.00 C ATOM 628 OE1 GLU A 496 -2.085 2.070 13.324 1.00 0.00 O ATOM 629 OE2 GLU A 496 -3.252 0.495 12.330 1.00 0.00 O ATOM 0 H GLU A 496 0.185 2.368 8.852 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.366 3.317 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.980 1.380 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.347 2.157 12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.235 0.308 10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.484 -0.169 12.299 1.00 0.00 H new ATOM 636 N GLU A 497 0.467 4.954 11.819 1.00 0.00 N ATOM 637 CA GLU A 497 1.372 6.088 11.971 1.00 0.00 C ATOM 638 C GLU A 497 2.827 5.628 11.963 1.00 0.00 C ATOM 639 O GLU A 497 3.725 6.381 11.589 1.00 0.00 O ATOM 640 CB GLU A 497 1.070 6.839 13.269 1.00 0.00 C ATOM 641 CG GLU A 497 1.725 8.208 13.347 1.00 0.00 C ATOM 642 CD GLU A 497 1.110 9.204 12.383 1.00 0.00 C ATOM 643 OE1 GLU A 497 0.003 9.705 12.674 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.734 9.482 11.338 1.00 0.00 O ATOM 0 H GLU A 497 -0.249 4.886 12.542 1.00 0.00 H new ATOM 0 HA GLU A 497 1.217 6.760 11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -0.009 6.956 13.369 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.405 6.237 14.114 1.00 0.00 H new ATOM 0 HG2 GLU A 497 1.638 8.591 14.364 1.00 0.00 H new ATOM 0 HG3 GLU A 497 2.789 8.110 13.133 1.00 0.00 H new ATOM 651 N ASN A 498 3.051 4.385 12.378 1.00 0.00 N ATOM 652 CA ASN A 498 4.396 3.824 12.420 1.00 0.00 C ATOM 653 C ASN A 498 4.785 3.242 11.065 1.00 0.00 C ATOM 654 O ASN A 498 5.766 3.667 10.453 1.00 0.00 O ATOM 655 CB ASN A 498 4.486 2.741 13.497 1.00 0.00 C ATOM 656 CG ASN A 498 4.044 3.242 14.859 1.00 0.00 C ATOM 657 OD1 ASN A 498 4.658 4.142 15.431 1.00 0.00 O ATOM 658 ND2 ASN A 498 2.974 2.658 15.385 1.00 0.00 N ATOM 0 H ASN A 498 2.318 3.748 12.690 1.00 0.00 H new ATOM 0 HA ASN A 498 5.091 4.628 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.867 1.892 13.207 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.513 2.380 13.561 1.00 0.00 H new ATOM 0 HD21 ASN A 498 2.630 2.952 16.299 1.00 0.00 H new ATOM 0 HD22 ASN A 498 2.496 1.915 14.875 1.00 0.00 H new ATOM 665 N PHE A 499 4.010 2.268 10.600 1.00 0.00 N ATOM 666 CA PHE A 499 4.273 1.627 9.317 1.00 0.00 C ATOM 667 C PHE A 499 2.974 1.374 8.559 1.00 0.00 C ATOM 668 O PHE A 499 1.882 1.599 9.082 1.00 0.00 O ATOM 669 CB PHE A 499 5.021 0.309 9.525 1.00 0.00 C ATOM 670 CG PHE A 499 4.696 -0.366 10.827 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.527 -1.097 10.970 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.558 -0.269 11.907 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.225 -1.718 12.167 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.261 -0.888 13.107 1.00 0.00 C ATOM 675 CZ PHE A 499 4.093 -1.615 13.236 1.00 0.00 C ATOM 0 H PHE A 499 3.194 1.905 11.093 1.00 0.00 H new ATOM 0 HA PHE A 499 4.894 2.299 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.783 -0.368 8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.094 0.498 9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.845 -1.182 10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.473 0.297 11.810 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.310 -2.284 12.266 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.941 -0.803 13.942 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.859 -2.102 14.171 1.00 0.00 H new ATOM 685 N VAL A 500 3.099 0.903 7.322 1.00 0.00 N ATOM 686 CA VAL A 500 1.936 0.618 6.491 1.00 0.00 C ATOM 687 C VAL A 500 1.813 -0.876 6.212 1.00 0.00 C ATOM 688 O VAL A 500 2.795 -1.537 5.874 1.00 0.00 O ATOM 689 CB VAL A 500 2.004 1.375 5.151 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.721 1.175 4.359 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.268 2.854 5.388 1.00 0.00 C ATOM 0 H VAL A 500 3.995 0.711 6.874 1.00 0.00 H new ATOM 0 HA VAL A 500 1.060 0.955 7.046 1.00 0.00 H new ATOM 0 HB VAL A 500 2.830 0.970 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.787 1.717 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.579 0.113 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.124 1.551 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.313 3.374 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.464 3.275 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.216 2.975 5.911 1.00 0.00 H new ATOM 701 N ILE A 501 0.600 -1.401 6.355 1.00 0.00 N ATOM 702 CA ILE A 501 0.348 -2.816 6.117 1.00 0.00 C ATOM 703 C ILE A 501 -0.348 -3.033 4.778 1.00 0.00 C ATOM 704 O ILE A 501 -1.509 -2.662 4.602 1.00 0.00 O ATOM 705 CB ILE A 501 -0.513 -3.431 7.236 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.105 -2.859 8.596 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.383 -4.947 7.233 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.387 -2.888 8.840 1.00 0.00 C ATOM 0 H ILE A 501 -0.223 -0.867 6.634 1.00 0.00 H new ATOM 0 HA ILE A 501 1.319 -3.311 6.103 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.557 -3.175 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.457 -1.830 8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.605 -3.423 9.383 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.997 -5.366 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.717 -5.339 6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.659 -5.223 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.603 -2.468 9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.742 -3.918 8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.892 -2.300 8.074 1.00 0.00 H new ATOM 720 N LEU A 502 0.368 -3.638 3.836 1.00 0.00 N ATOM 721 CA LEU A 502 -0.182 -3.907 2.512 1.00 0.00 C ATOM 722 C LEU A 502 -0.306 -5.408 2.269 1.00 0.00 C ATOM 723 O LEU A 502 0.581 -6.182 2.629 1.00 0.00 O ATOM 724 CB LEU A 502 0.701 -3.276 1.434 1.00 0.00 C ATOM 725 CG LEU A 502 2.012 -4.003 1.129 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.561 -3.569 -0.221 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.032 -3.747 2.229 1.00 0.00 C ATOM 0 H LEU A 502 1.330 -3.951 3.965 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.177 -3.466 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.123 -3.209 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 502 0.937 -2.256 1.737 1.00 0.00 H new ATOM 0 HG LEU A 502 1.811 -5.074 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.494 -4.096 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.837 -3.804 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.747 -2.495 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 502 3.958 -4.272 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.229 -2.677 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.640 -4.108 3.180 1.00 0.00 H new ATOM 739 N PHE A 503 -1.413 -5.812 1.654 1.00 0.00 N ATOM 740 CA PHE A 503 -1.654 -7.220 1.361 1.00 0.00 C ATOM 741 C PHE A 503 -0.886 -7.656 0.116 1.00 0.00 C ATOM 742 O PHE A 503 -0.919 -6.983 -0.914 1.00 0.00 O ATOM 743 CB PHE A 503 -3.150 -7.474 1.166 1.00 0.00 C ATOM 744 CG PHE A 503 -3.510 -8.931 1.122 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.640 -9.662 2.292 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.719 -9.570 -0.090 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.970 -11.004 2.253 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.051 -10.912 -0.134 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.177 -11.629 1.039 1.00 0.00 C ATOM 0 H PHE A 503 -2.157 -5.184 1.349 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.301 -7.807 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.700 -6.996 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.473 -7.000 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.482 -9.178 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.622 -9.014 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.066 -11.564 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.211 -11.398 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.437 -12.677 1.007 1.00 0.00 H new ATOM 759 N SER A 504 -0.194 -8.786 0.220 1.00 0.00 N ATOM 760 CA SER A 504 0.586 -9.310 -0.895 1.00 0.00 C ATOM 761 C SER A 504 -0.259 -10.242 -1.758 1.00 0.00 C ATOM 762 O SER A 504 -1.201 -10.871 -1.275 1.00 0.00 O ATOM 763 CB SER A 504 1.818 -10.054 -0.377 1.00 0.00 C ATOM 764 OG SER A 504 2.889 -9.973 -1.302 1.00 0.00 O ATOM 0 H SER A 504 -0.158 -9.356 1.065 1.00 0.00 H new ATOM 0 HA SER A 504 0.909 -8.469 -1.508 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.126 -9.631 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.567 -11.099 -0.197 1.00 0.00 H new ATOM 0 HG SER A 504 3.665 -10.455 -0.947 1.00 0.00 H new ATOM 770 N ASP A 505 0.085 -10.325 -3.039 1.00 0.00 N ATOM 771 CA ASP A 505 -0.641 -11.181 -3.971 1.00 0.00 C ATOM 772 C ASP A 505 0.071 -12.519 -4.146 1.00 0.00 C ATOM 773 O ASP A 505 -0.535 -13.506 -4.566 1.00 0.00 O ATOM 774 CB ASP A 505 -0.787 -10.485 -5.325 1.00 0.00 C ATOM 775 CG ASP A 505 -1.914 -11.068 -6.156 1.00 0.00 C ATOM 776 OD1 ASP A 505 -2.875 -11.600 -5.562 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.835 -10.990 -7.400 1.00 0.00 O ATOM 0 H ASP A 505 0.861 -9.811 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.632 -11.369 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -0.968 -9.422 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 505 0.149 -10.570 -5.877 1.00 0.00 H new ATOM 782 N LEU A 506 1.359 -12.545 -3.824 1.00 0.00 N ATOM 783 CA LEU A 506 2.154 -13.762 -3.947 1.00 0.00 C ATOM 784 C LEU A 506 2.111 -14.573 -2.656 1.00 0.00 C ATOM 785 O LEU A 506 1.853 -15.777 -2.675 1.00 0.00 O ATOM 786 CB LEU A 506 3.602 -13.415 -4.297 1.00 0.00 C ATOM 787 CG LEU A 506 3.841 -12.869 -5.705 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.239 -12.281 -5.820 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.632 -13.961 -6.743 1.00 0.00 C ATOM 0 H LEU A 506 1.876 -11.737 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 506 1.728 -14.366 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.962 -12.679 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 506 4.210 -14.310 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 506 3.119 -12.074 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.391 -11.898 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.352 -11.469 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.978 -13.055 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.806 -13.554 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.330 -14.778 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.610 -14.335 -6.677 1.00 0.00 H new ATOM 801 N THR A 507 2.362 -13.905 -1.535 1.00 0.00 N ATOM 802 CA THR A 507 2.351 -14.563 -0.234 1.00 0.00 C ATOM 803 C THR A 507 0.958 -14.534 0.385 1.00 0.00 C ATOM 804 O THR A 507 0.757 -14.998 1.507 1.00 0.00 O ATOM 805 CB THR A 507 3.346 -13.902 0.738 1.00 0.00 C ATOM 806 OG1 THR A 507 2.981 -12.536 0.960 1.00 0.00 O ATOM 807 CG2 THR A 507 4.764 -13.971 0.191 1.00 0.00 C ATOM 0 H THR A 507 2.576 -12.908 -1.502 1.00 0.00 H new ATOM 0 HA THR A 507 2.650 -15.598 -0.401 1.00 0.00 H new ATOM 0 HB THR A 507 3.311 -14.445 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.789 -11.982 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.449 -13.498 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 507 5.050 -15.014 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.811 -13.451 -0.766 1.00 0.00 H new ATOM 815 N MET A 508 -0.002 -13.987 -0.354 1.00 0.00 N ATOM 816 CA MET A 508 -1.377 -13.900 0.122 1.00 0.00 C ATOM 817 C MET A 508 -1.416 -13.627 1.623 1.00 0.00 C ATOM 818 O MET A 508 -2.296 -14.118 2.330 1.00 0.00 O ATOM 819 CB MET A 508 -2.132 -15.193 -0.193 1.00 0.00 C ATOM 820 CG MET A 508 -2.217 -15.500 -1.679 1.00 0.00 C ATOM 821 SD MET A 508 -3.686 -16.452 -2.108 1.00 0.00 S ATOM 822 CE MET A 508 -4.782 -15.150 -2.666 1.00 0.00 C ATOM 0 H MET A 508 0.147 -13.597 -1.285 1.00 0.00 H new ATOM 0 HA MET A 508 -1.862 -13.071 -0.393 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.641 -16.024 0.314 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.141 -15.123 0.214 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.218 -14.565 -2.240 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.329 -16.053 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.736 -15.582 -2.967 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.945 -14.439 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 508 -4.333 -14.635 -3.515 1.00 0.00 H new ATOM 832 N HIS A 509 -0.457 -12.841 2.102 1.00 0.00 N ATOM 833 CA HIS A 509 -0.383 -12.503 3.519 1.00 0.00 C ATOM 834 C HIS A 509 -0.214 -10.999 3.711 1.00 0.00 C ATOM 835 O HIS A 509 -0.006 -10.262 2.748 1.00 0.00 O ATOM 836 CB HIS A 509 0.777 -13.247 4.182 1.00 0.00 C ATOM 837 CG HIS A 509 0.533 -14.716 4.343 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.730 -15.267 4.403 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.398 -15.751 4.455 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.631 -16.576 4.547 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.650 -16.895 4.581 1.00 0.00 N ATOM 0 H HIS A 509 0.279 -12.427 1.530 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.318 -12.809 3.989 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.679 -13.100 3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.966 -12.809 5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.476 -15.688 4.447 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.457 -17.268 4.624 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.023 -17.839 4.684 1.00 0.00 H new ATOM 849 N GLU A 510 -0.305 -10.553 4.959 1.00 0.00 N ATOM 850 CA GLU A 510 -0.164 -9.136 5.275 1.00 0.00 C ATOM 851 C GLU A 510 1.296 -8.782 5.548 1.00 0.00 C ATOM 852 O GLU A 510 1.903 -9.287 6.493 1.00 0.00 O ATOM 853 CB GLU A 510 -1.023 -8.773 6.489 1.00 0.00 C ATOM 854 CG GLU A 510 -2.433 -8.339 6.127 1.00 0.00 C ATOM 855 CD GLU A 510 -3.325 -8.183 7.344 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.980 -7.379 8.235 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.369 -8.866 7.404 1.00 0.00 O ATOM 0 H GLU A 510 -0.476 -11.151 5.767 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.505 -8.562 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -1.076 -9.633 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.535 -7.970 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.391 -7.392 5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.872 -9.072 5.450 1.00 0.00 H new ATOM 864 N LEU A 511 1.853 -7.912 4.713 1.00 0.00 N ATOM 865 CA LEU A 511 3.241 -7.490 4.862 1.00 0.00 C ATOM 866 C LEU A 511 3.325 -6.118 5.524 1.00 0.00 C ATOM 867 O LEU A 511 2.692 -5.161 5.078 1.00 0.00 O ATOM 868 CB LEU A 511 3.933 -7.454 3.498 1.00 0.00 C ATOM 869 CG LEU A 511 3.837 -8.731 2.663 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.661 -8.600 1.391 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.294 -9.934 3.475 1.00 0.00 C ATOM 0 H LEU A 511 1.365 -7.485 3.926 1.00 0.00 H new ATOM 0 HA LEU A 511 3.748 -8.213 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.509 -6.633 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.987 -7.224 3.654 1.00 0.00 H new ATOM 0 HG LEU A 511 2.795 -8.882 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.581 -9.518 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.288 -7.763 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.705 -8.425 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.219 -10.834 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.329 -9.791 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.662 -10.039 4.357 1.00 0.00 H new ATOM 883 N LYS A 512 4.113 -6.029 6.590 1.00 0.00 N ATOM 884 CA LYS A 512 4.284 -4.774 7.313 1.00 0.00 C ATOM 885 C LYS A 512 5.604 -4.107 6.940 1.00 0.00 C ATOM 886 O LYS A 512 6.679 -4.655 7.186 1.00 0.00 O ATOM 887 CB LYS A 512 4.233 -5.021 8.823 1.00 0.00 C ATOM 888 CG LYS A 512 4.547 -3.787 9.651 1.00 0.00 C ATOM 889 CD LYS A 512 5.155 -4.157 10.994 1.00 0.00 C ATOM 890 CE LYS A 512 6.654 -4.389 10.883 1.00 0.00 C ATOM 891 NZ LYS A 512 7.263 -4.720 12.201 1.00 0.00 N ATOM 0 H LYS A 512 4.644 -6.811 6.973 1.00 0.00 H new ATOM 0 HA LYS A 512 3.469 -4.107 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.241 -5.385 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 512 4.941 -5.809 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.237 -3.145 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.635 -3.212 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.961 -3.362 11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 512 4.674 -5.057 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.845 -5.200 10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 512 7.130 -3.497 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.285 -4.871 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 7.103 -3.935 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 6.827 -5.586 12.578 1.00 0.00 H new ATOM 905 N VAL A 513 5.516 -2.921 6.347 1.00 0.00 N ATOM 906 CA VAL A 513 6.703 -2.178 5.943 1.00 0.00 C ATOM 907 C VAL A 513 6.545 -0.689 6.230 1.00 0.00 C ATOM 908 O VAL A 513 5.427 -0.182 6.338 1.00 0.00 O ATOM 909 CB VAL A 513 7.003 -2.371 4.445 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.339 -1.740 4.082 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.988 -3.849 4.085 1.00 0.00 C ATOM 0 H VAL A 513 4.634 -2.454 6.136 1.00 0.00 H new ATOM 0 HA VAL A 513 7.535 -2.571 6.527 1.00 0.00 H new ATOM 0 HB VAL A 513 6.224 -1.872 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.534 -1.886 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.309 -0.673 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.133 -2.208 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.202 -3.967 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.745 -4.373 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.006 -4.267 4.306 1.00 0.00 H new ATOM 921 N LEU A 514 7.669 0.007 6.353 1.00 0.00 N ATOM 922 CA LEU A 514 7.656 1.440 6.628 1.00 0.00 C ATOM 923 C LEU A 514 7.328 2.233 5.367 1.00 0.00 C ATOM 924 O LEU A 514 7.572 1.790 4.244 1.00 0.00 O ATOM 925 CB LEU A 514 9.008 1.885 7.187 1.00 0.00 C ATOM 926 CG LEU A 514 9.354 1.381 8.588 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.796 1.719 8.936 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.402 1.973 9.617 1.00 0.00 C ATOM 0 H LEU A 514 8.602 -0.397 6.267 1.00 0.00 H new ATOM 0 HA LEU A 514 6.882 1.635 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.788 1.555 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.033 2.975 7.198 1.00 0.00 H new ATOM 0 HG LEU A 514 9.244 0.297 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.024 1.353 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.464 1.247 8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.934 2.800 8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.663 1.604 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.481 3.060 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.380 1.680 9.378 1.00 0.00 H new ATOM 940 N PRO A 515 6.763 3.435 5.554 1.00 0.00 N ATOM 941 CA PRO A 515 6.392 4.317 4.443 1.00 0.00 C ATOM 942 C PRO A 515 7.610 4.891 3.727 1.00 0.00 C ATOM 943 O PRO A 515 7.476 5.665 2.779 1.00 0.00 O ATOM 944 CB PRO A 515 5.597 5.433 5.126 1.00 0.00 C ATOM 945 CG PRO A 515 6.099 5.451 6.528 1.00 0.00 C ATOM 946 CD PRO A 515 6.443 4.026 6.864 1.00 0.00 C ATOM 0 HA PRO A 515 5.833 3.788 3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.759 6.392 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.526 5.234 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.973 6.096 6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.342 5.840 7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.289 3.967 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.609 3.513 7.343 1.00 0.00 H new ATOM 954 N ARG A 516 8.796 4.507 4.187 1.00 0.00 N ATOM 955 CA ARG A 516 10.038 4.985 3.591 1.00 0.00 C ATOM 956 C ARG A 516 10.560 3.994 2.555 1.00 0.00 C ATOM 957 O ARG A 516 11.465 4.308 1.781 1.00 0.00 O ATOM 958 CB ARG A 516 11.094 5.212 4.673 1.00 0.00 C ATOM 959 CG ARG A 516 11.547 3.934 5.360 1.00 0.00 C ATOM 960 CD ARG A 516 12.539 4.223 6.476 1.00 0.00 C ATOM 961 NE ARG A 516 13.905 4.348 5.974 1.00 0.00 N ATOM 962 CZ ARG A 516 14.957 4.573 6.754 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.800 4.696 8.065 1.00 0.00 N ATOM 964 NH2 ARG A 516 16.168 4.674 6.223 1.00 0.00 N ATOM 0 H ARG A 516 8.923 3.866 4.970 1.00 0.00 H new ATOM 0 HA ARG A 516 9.831 5.931 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.960 5.701 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.693 5.895 5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.681 3.412 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 516 12.005 3.269 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.254 5.144 6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.496 3.423 7.216 1.00 0.00 H new ATOM 0 HE ARG A 516 14.060 4.258 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 516 13.870 4.618 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.609 4.869 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 516 16.292 4.579 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 516 16.975 4.847 6.822 1.00 0.00 H new ATOM 978 N ASP A 517 9.985 2.796 2.547 1.00 0.00 N ATOM 979 CA ASP A 517 10.392 1.759 1.607 1.00 0.00 C ATOM 980 C ASP A 517 9.252 1.411 0.654 1.00 0.00 C ATOM 981 O ASP A 517 9.306 0.405 -0.054 1.00 0.00 O ATOM 982 CB ASP A 517 10.843 0.506 2.360 1.00 0.00 C ATOM 983 CG ASP A 517 11.640 0.836 3.607 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.760 1.371 3.471 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.143 0.559 4.719 1.00 0.00 O ATOM 0 H ASP A 517 9.236 2.520 3.181 1.00 0.00 H new ATOM 0 HA ASP A 517 11.228 2.142 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.968 -0.083 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.448 -0.114 1.699 1.00 0.00 H new ATOM 990 N LEU A 518 8.222 2.250 0.642 1.00 0.00 N ATOM 991 CA LEU A 518 7.068 2.031 -0.223 1.00 0.00 C ATOM 992 C LEU A 518 6.944 3.145 -1.258 1.00 0.00 C ATOM 993 O LEU A 518 7.531 4.215 -1.103 1.00 0.00 O ATOM 994 CB LEU A 518 5.788 1.951 0.612 1.00 0.00 C ATOM 995 CG LEU A 518 5.698 0.780 1.591 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.398 0.841 2.378 1.00 0.00 C ATOM 997 CD2 LEU A 518 5.813 -0.545 0.851 1.00 0.00 C ATOM 0 H LEU A 518 8.162 3.088 1.221 1.00 0.00 H new ATOM 0 HA LEU A 518 7.212 1.087 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.687 2.878 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.937 1.897 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 518 6.528 0.854 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.352 -0.000 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.356 1.775 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.554 0.792 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 518 5.747 -1.367 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.004 -0.628 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 518 6.771 -0.590 0.333 1.00 0.00 H new ATOM 1009 N GLN A 519 6.176 2.884 -2.311 1.00 0.00 N ATOM 1010 CA GLN A 519 5.975 3.865 -3.370 1.00 0.00 C ATOM 1011 C GLN A 519 4.624 3.665 -4.049 1.00 0.00 C ATOM 1012 O GLN A 519 4.217 2.535 -4.322 1.00 0.00 O ATOM 1013 CB GLN A 519 7.098 3.768 -4.405 1.00 0.00 C ATOM 1014 CG GLN A 519 8.487 3.951 -3.814 1.00 0.00 C ATOM 1015 CD GLN A 519 8.761 5.384 -3.401 1.00 0.00 C ATOM 1016 OE1 GLN A 519 7.940 6.019 -2.738 1.00 0.00 O ATOM 1017 NE2 GLN A 519 9.920 5.901 -3.790 1.00 0.00 N ATOM 0 H GLN A 519 5.683 2.002 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 519 5.991 4.857 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.046 2.796 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 519 6.937 4.523 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.598 3.300 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 519 9.233 3.639 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 519 10.571 5.339 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 519 10.160 6.861 -3.541 1.00 0.00 H new ATOM 1026 N LEU A 520 3.934 4.767 -4.319 1.00 0.00 N ATOM 1027 CA LEU A 520 2.627 4.712 -4.966 1.00 0.00 C ATOM 1028 C LEU A 520 2.770 4.427 -6.457 1.00 0.00 C ATOM 1029 O LEU A 520 3.805 4.716 -7.058 1.00 0.00 O ATOM 1030 CB LEU A 520 1.877 6.029 -4.756 1.00 0.00 C ATOM 1031 CG LEU A 520 1.015 6.116 -3.496 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.379 7.493 -3.379 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.054 5.032 -3.504 1.00 0.00 C ATOM 0 H LEU A 520 4.257 5.709 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 520 2.058 3.900 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.606 6.839 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.238 6.202 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 520 1.656 5.959 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.231 7.537 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.160 8.251 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.249 7.679 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.658 5.110 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.693 5.157 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.422 4.052 -3.540 1.00 0.00 H new ATOM 1045 N CYS A 521 1.724 3.861 -7.049 1.00 0.00 N ATOM 1046 CA CYS A 521 1.732 3.538 -8.471 1.00 0.00 C ATOM 1047 C CYS A 521 0.676 4.347 -9.218 1.00 0.00 C ATOM 1048 O CYS A 521 0.821 4.628 -10.407 1.00 0.00 O ATOM 1049 CB CYS A 521 1.487 2.043 -8.677 1.00 0.00 C ATOM 1050 SG CYS A 521 1.176 1.576 -10.396 1.00 0.00 S ATOM 0 H CYS A 521 0.860 3.616 -6.566 1.00 0.00 H new ATOM 0 HA CYS A 521 2.712 3.796 -8.872 1.00 0.00 H new ATOM 0 HB2 CYS A 521 2.353 1.490 -8.313 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.635 1.738 -8.069 1.00 0.00 H new ATOM 0 HG CYS A 521 0.904 2.640 -11.092 1.00 0.00 H new ATOM 1056 N SER A 522 -0.388 4.716 -8.512 1.00 0.00 N ATOM 1057 CA SER A 522 -1.472 5.488 -9.109 1.00 0.00 C ATOM 1058 C SER A 522 -1.723 6.771 -8.323 1.00 0.00 C ATOM 1059 O SER A 522 -2.868 7.168 -8.112 1.00 0.00 O ATOM 1060 CB SER A 522 -2.751 4.652 -9.164 1.00 0.00 C ATOM 1061 OG SER A 522 -2.819 3.900 -10.364 1.00 0.00 O ATOM 0 H SER A 522 -0.523 4.493 -7.526 1.00 0.00 H new ATOM 0 HA SER A 522 -1.178 5.756 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 522 -2.786 3.979 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 522 -3.620 5.306 -9.092 1.00 0.00 H new ATOM 0 HG SER A 522 -3.645 3.373 -10.373 1.00 0.00 H new ATOM 1067 N GLU A 523 -0.642 7.415 -7.892 1.00 0.00 N ATOM 1068 CA GLU A 523 -0.745 8.652 -7.128 1.00 0.00 C ATOM 1069 C GLU A 523 -1.644 9.659 -7.841 1.00 0.00 C ATOM 1070 O GLU A 523 -2.676 10.068 -7.311 1.00 0.00 O ATOM 1071 CB GLU A 523 0.643 9.258 -6.907 1.00 0.00 C ATOM 1072 CG GLU A 523 1.301 9.754 -8.184 1.00 0.00 C ATOM 1073 CD GLU A 523 1.906 8.631 -9.002 1.00 0.00 C ATOM 1074 OE1 GLU A 523 2.282 7.599 -8.409 1.00 0.00 O ATOM 1075 OE2 GLU A 523 2.004 8.784 -10.238 1.00 0.00 O ATOM 0 H GLU A 523 0.314 7.100 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 523 -1.189 8.416 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 523 0.560 10.088 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 523 1.287 8.511 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 523 0.562 10.281 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.079 10.474 -7.931 1.00 0.00 H new TER 1082 GLU A 523