USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 504 SER OG : rot 160:sc= 0.337 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 32:sc= 0.102 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 35:sc= 0.147 USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) 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+ 150:sc= 1.23 (180deg=0.589) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 477 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-8.7!) 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= -0.98 X(o=-0.98,f=-0.64) USER MOD Single : A 512 LYS NZ :NH3+ -140:sc= -0.629 (180deg=-2.03!) USER MOD Single : A 519 GLN : amide:sc= -4.6! C(o=-4.6!,f=-4.1!) USER MOD Single : A 521 CYS SG : rot -11:sc= 0.168 USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -19.277 37.004 2.627 1.00 0.00 N ATOM 2 CA GLY A 455 -19.214 35.574 2.863 1.00 0.00 C ATOM 3 C GLY A 455 -19.278 34.771 1.579 1.00 0.00 C ATOM 4 O GLY A 455 -18.758 35.195 0.547 1.00 0.00 O ATOM 0 HA2 GLY A 455 -18.290 35.336 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -20.038 35.280 3.513 1.00 0.00 H new ATOM 8 N SER A 456 -19.915 33.606 1.642 1.00 0.00 N ATOM 9 CA SER A 456 -20.041 32.739 0.476 1.00 0.00 C ATOM 10 C SER A 456 -21.272 33.108 -0.345 1.00 0.00 C ATOM 11 O SER A 456 -22.397 32.753 0.008 1.00 0.00 O ATOM 12 CB SER A 456 -20.123 31.274 0.911 1.00 0.00 C ATOM 13 OG SER A 456 -20.024 30.405 -0.204 1.00 0.00 O ATOM 0 H SER A 456 -20.352 33.241 2.488 1.00 0.00 H new ATOM 0 HA SER A 456 -19.157 32.877 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 456 -19.323 31.056 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 456 -21.065 31.098 1.431 1.00 0.00 H new ATOM 0 HG SER A 456 -20.078 29.475 0.100 1.00 0.00 H new ATOM 19 N SER A 457 -21.050 33.822 -1.444 1.00 0.00 N ATOM 20 CA SER A 457 -22.141 34.242 -2.316 1.00 0.00 C ATOM 21 C SER A 457 -21.868 33.839 -3.762 1.00 0.00 C ATOM 22 O SER A 457 -20.793 34.103 -4.299 1.00 0.00 O ATOM 23 CB SER A 457 -22.339 35.757 -2.225 1.00 0.00 C ATOM 24 OG SER A 457 -21.174 36.449 -2.640 1.00 0.00 O ATOM 0 H SER A 457 -20.125 34.122 -1.752 1.00 0.00 H new ATOM 0 HA SER A 457 -23.051 33.742 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 457 -23.183 36.055 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 457 -22.585 36.034 -1.200 1.00 0.00 H new ATOM 0 HG SER A 457 -20.716 35.931 -3.334 1.00 0.00 H new ATOM 30 N GLY A 458 -22.851 33.197 -4.386 1.00 0.00 N ATOM 31 CA GLY A 458 -22.698 32.768 -5.764 1.00 0.00 C ATOM 32 C GLY A 458 -21.690 31.645 -5.913 1.00 0.00 C ATOM 33 O GLY A 458 -21.366 30.960 -4.943 1.00 0.00 O ATOM 0 H GLY A 458 -23.750 32.967 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -23.663 32.439 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -22.385 33.616 -6.373 1.00 0.00 H new ATOM 37 N SER A 459 -21.193 31.456 -7.131 1.00 0.00 N ATOM 38 CA SER A 459 -20.220 30.405 -7.404 1.00 0.00 C ATOM 39 C SER A 459 -18.796 30.933 -7.261 1.00 0.00 C ATOM 40 O SER A 459 -18.388 31.854 -7.969 1.00 0.00 O ATOM 41 CB SER A 459 -20.427 29.842 -8.812 1.00 0.00 C ATOM 42 OG SER A 459 -19.755 28.605 -8.971 1.00 0.00 O ATOM 0 H SER A 459 -21.448 32.017 -7.944 1.00 0.00 H new ATOM 0 HA SER A 459 -20.369 29.608 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 459 -21.492 29.707 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 459 -20.061 30.556 -9.550 1.00 0.00 H new ATOM 0 HG SER A 459 -19.904 28.266 -9.878 1.00 0.00 H new ATOM 48 N SER A 460 -18.043 30.343 -6.338 1.00 0.00 N ATOM 49 CA SER A 460 -16.665 30.755 -6.097 1.00 0.00 C ATOM 50 C SER A 460 -15.686 29.789 -6.757 1.00 0.00 C ATOM 51 O SER A 460 -15.726 28.584 -6.514 1.00 0.00 O ATOM 52 CB SER A 460 -16.389 30.832 -4.594 1.00 0.00 C ATOM 53 OG SER A 460 -16.544 29.563 -3.981 1.00 0.00 O ATOM 0 H SER A 460 -18.364 29.578 -5.745 1.00 0.00 H new ATOM 0 HA SER A 460 -16.525 31.743 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 460 -15.377 31.200 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 460 -17.069 31.548 -4.132 1.00 0.00 H new ATOM 0 HG SER A 460 -16.249 28.863 -4.600 1.00 0.00 H new ATOM 59 N GLY A 461 -14.805 30.329 -7.594 1.00 0.00 N ATOM 60 CA GLY A 461 -13.827 29.502 -8.277 1.00 0.00 C ATOM 61 C GLY A 461 -14.379 28.141 -8.651 1.00 0.00 C ATOM 62 O GLY A 461 -15.586 27.983 -8.833 1.00 0.00 O ATOM 0 H GLY A 461 -14.751 31.324 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -13.489 30.014 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -12.954 29.373 -7.637 1.00 0.00 H new ATOM 66 N GLU A 462 -13.494 27.156 -8.768 1.00 0.00 N ATOM 67 CA GLU A 462 -13.900 25.803 -9.126 1.00 0.00 C ATOM 68 C GLU A 462 -14.766 25.187 -8.031 1.00 0.00 C ATOM 69 O GLU A 462 -14.813 25.686 -6.907 1.00 0.00 O ATOM 70 CB GLU A 462 -12.671 24.925 -9.373 1.00 0.00 C ATOM 71 CG GLU A 462 -12.907 23.818 -10.387 1.00 0.00 C ATOM 72 CD GLU A 462 -11.617 23.278 -10.971 1.00 0.00 C ATOM 73 OE1 GLU A 462 -10.777 22.777 -10.195 1.00 0.00 O ATOM 74 OE2 GLU A 462 -11.447 23.356 -12.206 1.00 0.00 O ATOM 0 H GLU A 462 -12.491 27.270 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 462 -14.488 25.859 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -11.850 25.553 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -12.357 24.480 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -13.454 23.005 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -13.536 24.196 -11.193 1.00 0.00 H new ATOM 81 N PHE A 463 -15.452 24.099 -8.368 1.00 0.00 N ATOM 82 CA PHE A 463 -16.318 23.416 -7.415 1.00 0.00 C ATOM 83 C PHE A 463 -15.545 23.032 -6.156 1.00 0.00 C ATOM 84 O PHE A 463 -14.367 22.678 -6.204 1.00 0.00 O ATOM 85 CB PHE A 463 -16.928 22.166 -8.053 1.00 0.00 C ATOM 86 CG PHE A 463 -18.206 22.435 -8.795 1.00 0.00 C ATOM 87 CD1 PHE A 463 -18.189 23.099 -10.011 1.00 0.00 C ATOM 88 CD2 PHE A 463 -19.423 22.023 -8.278 1.00 0.00 C ATOM 89 CE1 PHE A 463 -19.364 23.349 -10.696 1.00 0.00 C ATOM 90 CE2 PHE A 463 -20.601 22.270 -8.958 1.00 0.00 C ATOM 91 CZ PHE A 463 -20.571 22.932 -10.169 1.00 0.00 C ATOM 0 H PHE A 463 -15.424 23.672 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 463 -17.119 24.100 -7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -16.204 21.728 -8.740 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -17.118 21.426 -7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -17.248 23.425 -10.428 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -19.452 21.502 -7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -19.338 23.870 -11.642 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -21.544 21.945 -8.542 1.00 0.00 H new ATOM 0 HZ PHE A 463 -21.490 23.124 -10.704 1.00 0.00 H new ATOM 101 N PRO A 464 -16.223 23.104 -5.001 1.00 0.00 N ATOM 102 CA PRO A 464 -15.622 22.769 -3.707 1.00 0.00 C ATOM 103 C PRO A 464 -15.346 21.276 -3.566 1.00 0.00 C ATOM 104 O PRO A 464 -14.574 20.856 -2.704 1.00 0.00 O ATOM 105 CB PRO A 464 -16.681 23.215 -2.697 1.00 0.00 C ATOM 106 CG PRO A 464 -17.967 23.163 -3.448 1.00 0.00 C ATOM 107 CD PRO A 464 -17.630 23.518 -4.870 1.00 0.00 C ATOM 0 HA PRO A 464 -14.654 23.251 -3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -16.703 22.556 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -16.478 24.221 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -18.414 22.171 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -18.691 23.864 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -18.271 22.993 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -17.754 24.584 -5.058 1.00 0.00 H new ATOM 115 N ALA A 465 -15.983 20.478 -4.417 1.00 0.00 N ATOM 116 CA ALA A 465 -15.804 19.032 -4.388 1.00 0.00 C ATOM 117 C ALA A 465 -14.479 18.629 -5.026 1.00 0.00 C ATOM 118 O ALA A 465 -14.446 18.155 -6.161 1.00 0.00 O ATOM 119 CB ALA A 465 -16.963 18.342 -5.093 1.00 0.00 C ATOM 0 H ALA A 465 -16.628 20.809 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 465 -15.786 18.714 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -16.816 17.262 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -17.897 18.595 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -17.007 18.674 -6.130 1.00 0.00 H new ATOM 125 N GLN A 466 -13.390 18.822 -4.289 1.00 0.00 N ATOM 126 CA GLN A 466 -12.062 18.480 -4.786 1.00 0.00 C ATOM 127 C GLN A 466 -11.255 17.747 -3.719 1.00 0.00 C ATOM 128 O GLN A 466 -11.031 18.271 -2.628 1.00 0.00 O ATOM 129 CB GLN A 466 -11.319 19.742 -5.227 1.00 0.00 C ATOM 130 CG GLN A 466 -11.319 20.846 -4.181 1.00 0.00 C ATOM 131 CD GLN A 466 -10.086 21.725 -4.261 1.00 0.00 C ATOM 132 OE1 GLN A 466 -9.049 21.415 -3.673 1.00 0.00 O ATOM 133 NE2 GLN A 466 -10.192 22.829 -4.990 1.00 0.00 N ATOM 0 H GLN A 466 -13.401 19.213 -3.347 1.00 0.00 H new ATOM 0 HA GLN A 466 -12.181 17.819 -5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -10.288 19.481 -5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -11.774 20.120 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -12.209 21.462 -4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -11.379 20.401 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -11.070 23.047 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -9.395 23.459 -5.080 1.00 0.00 H new ATOM 142 N GLU A 467 -10.820 16.533 -4.043 1.00 0.00 N ATOM 143 CA GLU A 467 -10.039 15.729 -3.112 1.00 0.00 C ATOM 144 C GLU A 467 -8.738 15.259 -3.757 1.00 0.00 C ATOM 145 O GLU A 467 -8.750 14.457 -4.692 1.00 0.00 O ATOM 146 CB GLU A 467 -10.852 14.521 -2.639 1.00 0.00 C ATOM 147 CG GLU A 467 -12.113 14.897 -1.879 1.00 0.00 C ATOM 148 CD GLU A 467 -11.823 15.387 -0.474 1.00 0.00 C ATOM 149 OE1 GLU A 467 -10.707 15.896 -0.241 1.00 0.00 O ATOM 150 OE2 GLU A 467 -12.713 15.262 0.393 1.00 0.00 O ATOM 0 H GLU A 467 -10.995 16.086 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 467 -9.794 16.352 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -11.126 13.916 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -10.225 13.899 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -12.646 15.674 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -12.774 14.032 -1.829 1.00 0.00 H new ATOM 157 N LEU A 468 -7.618 15.764 -3.252 1.00 0.00 N ATOM 158 CA LEU A 468 -6.308 15.397 -3.778 1.00 0.00 C ATOM 159 C LEU A 468 -5.463 14.713 -2.708 1.00 0.00 C ATOM 160 O LEU A 468 -5.252 15.260 -1.626 1.00 0.00 O ATOM 161 CB LEU A 468 -5.582 16.637 -4.302 1.00 0.00 C ATOM 162 CG LEU A 468 -6.387 17.543 -5.234 1.00 0.00 C ATOM 163 CD1 LEU A 468 -7.224 18.526 -4.431 1.00 0.00 C ATOM 164 CD2 LEU A 468 -5.462 18.283 -6.189 1.00 0.00 C ATOM 0 H LEU A 468 -7.591 16.429 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 468 -6.457 14.696 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -5.253 17.229 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.685 16.312 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 468 -7.061 16.920 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -7.790 19.162 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -7.913 17.977 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -6.569 19.144 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -6.052 18.923 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -4.763 18.895 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.907 17.562 -6.789 1.00 0.00 H new ATOM 176 N ARG A 469 -4.981 13.514 -3.019 1.00 0.00 N ATOM 177 CA ARG A 469 -4.158 12.756 -2.085 1.00 0.00 C ATOM 178 C ARG A 469 -2.889 12.250 -2.765 1.00 0.00 C ATOM 179 O ARG A 469 -2.904 11.887 -3.941 1.00 0.00 O ATOM 180 CB ARG A 469 -4.949 11.576 -1.516 1.00 0.00 C ATOM 181 CG ARG A 469 -5.472 10.625 -2.580 1.00 0.00 C ATOM 182 CD ARG A 469 -4.458 9.539 -2.903 1.00 0.00 C ATOM 183 NE ARG A 469 -4.568 9.081 -4.286 1.00 0.00 N ATOM 184 CZ ARG A 469 -3.643 8.346 -4.892 1.00 0.00 C ATOM 185 NH1 ARG A 469 -2.545 7.986 -4.241 1.00 0.00 N ATOM 186 NH2 ARG A 469 -3.815 7.968 -6.153 1.00 0.00 N ATOM 0 H ARG A 469 -5.146 13.047 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 469 -3.873 13.421 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -4.313 11.022 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -5.790 11.958 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.400 10.168 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -5.709 11.184 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -3.452 9.918 -2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -4.604 8.695 -2.229 1.00 0.00 H new ATOM 0 HE ARG A 469 -5.401 9.340 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -2.409 8.274 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -1.836 7.421 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -4.658 8.242 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -3.104 7.403 -6.618 1.00 0.00 H new ATOM 200 N LYS A 470 -1.791 12.229 -2.016 1.00 0.00 N ATOM 201 CA LYS A 470 -0.513 11.767 -2.545 1.00 0.00 C ATOM 202 C LYS A 470 0.068 10.659 -1.673 1.00 0.00 C ATOM 203 O LYS A 470 0.690 9.723 -2.175 1.00 0.00 O ATOM 204 CB LYS A 470 0.476 12.932 -2.634 1.00 0.00 C ATOM 205 CG LYS A 470 1.757 12.587 -3.374 1.00 0.00 C ATOM 206 CD LYS A 470 2.815 12.041 -2.431 1.00 0.00 C ATOM 207 CE LYS A 470 3.883 11.261 -3.183 1.00 0.00 C ATOM 208 NZ LYS A 470 4.947 12.153 -3.721 1.00 0.00 N ATOM 0 H LYS A 470 -1.761 12.527 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 470 -0.685 11.367 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -0.008 13.771 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 470 0.726 13.263 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 470 1.544 11.851 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.139 13.476 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 470 3.279 12.864 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 470 2.345 11.395 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 470 4.330 10.523 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 470 3.421 10.711 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 5.655 11.583 -4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 4.525 12.841 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 5.406 12.659 -2.936 1.00 0.00 H new ATOM 222 N TYR A 471 -0.139 10.772 -0.365 1.00 0.00 N ATOM 223 CA TYR A 471 0.365 9.779 0.577 1.00 0.00 C ATOM 224 C TYR A 471 -0.232 8.404 0.291 1.00 0.00 C ATOM 225 O TYR A 471 -1.034 8.241 -0.629 1.00 0.00 O ATOM 226 CB TYR A 471 0.044 10.199 2.012 1.00 0.00 C ATOM 227 CG TYR A 471 -1.349 10.760 2.182 1.00 0.00 C ATOM 228 CD1 TYR A 471 -2.468 10.010 1.840 1.00 0.00 C ATOM 229 CD2 TYR A 471 -1.548 12.041 2.683 1.00 0.00 C ATOM 230 CE1 TYR A 471 -3.743 10.519 1.992 1.00 0.00 C ATOM 231 CE2 TYR A 471 -2.819 12.557 2.840 1.00 0.00 C ATOM 232 CZ TYR A 471 -3.914 11.793 2.493 1.00 0.00 C ATOM 233 OH TYR A 471 -5.182 12.305 2.647 1.00 0.00 O ATOM 0 H TYR A 471 -0.652 11.541 0.067 1.00 0.00 H new ATOM 0 HA TYR A 471 1.447 9.717 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 471 0.162 9.337 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 471 0.769 10.946 2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -2.338 9.012 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -0.694 12.643 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -4.602 9.923 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -2.955 13.554 3.233 1.00 0.00 H new ATOM 0 HH TYR A 471 -5.126 13.213 3.012 1.00 0.00 H new ATOM 243 N PHE A 472 0.165 7.418 1.088 1.00 0.00 N ATOM 244 CA PHE A 472 -0.329 6.056 0.922 1.00 0.00 C ATOM 245 C PHE A 472 -1.522 5.795 1.837 1.00 0.00 C ATOM 246 O PHE A 472 -1.416 5.901 3.059 1.00 0.00 O ATOM 247 CB PHE A 472 0.784 5.047 1.216 1.00 0.00 C ATOM 248 CG PHE A 472 2.061 5.333 0.479 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.039 5.960 -0.757 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.284 4.973 1.021 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.212 6.224 -1.437 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.461 5.236 0.345 1.00 0.00 C ATOM 253 CZ PHE A 472 4.425 5.861 -0.886 1.00 0.00 C ATOM 0 H PHE A 472 0.827 7.536 1.855 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.653 5.938 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.985 5.042 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.437 4.048 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.093 6.246 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.318 4.482 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.180 6.714 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.408 4.953 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.343 6.065 -1.416 1.00 0.00 H new ATOM 263 N LYS A 473 -2.657 5.453 1.237 1.00 0.00 N ATOM 264 CA LYS A 473 -3.871 5.176 1.996 1.00 0.00 C ATOM 265 C LYS A 473 -4.399 3.779 1.685 1.00 0.00 C ATOM 266 O LYS A 473 -4.077 3.200 0.649 1.00 0.00 O ATOM 267 CB LYS A 473 -4.944 6.221 1.680 1.00 0.00 C ATOM 268 CG LYS A 473 -5.316 6.285 0.209 1.00 0.00 C ATOM 269 CD LYS A 473 -6.441 5.319 -0.124 1.00 0.00 C ATOM 270 CE LYS A 473 -7.805 5.947 0.120 1.00 0.00 C ATOM 271 NZ LYS A 473 -8.896 4.935 0.081 1.00 0.00 N ATOM 0 H LYS A 473 -2.762 5.361 0.227 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.626 5.225 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.838 5.999 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.590 7.201 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -5.619 7.300 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -4.442 6.051 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -6.362 5.012 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.340 4.418 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.807 6.446 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.992 6.712 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -9.669 5.234 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -9.254 4.848 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -8.528 4.015 0.398 1.00 0.00 H new ATOM 285 N MET A 474 -5.214 3.245 2.589 1.00 0.00 N ATOM 286 CA MET A 474 -5.789 1.917 2.409 1.00 0.00 C ATOM 287 C MET A 474 -6.639 1.860 1.144 1.00 0.00 C ATOM 288 O MET A 474 -7.602 2.611 0.997 1.00 0.00 O ATOM 289 CB MET A 474 -6.637 1.536 3.625 1.00 0.00 C ATOM 290 CG MET A 474 -7.556 0.351 3.377 1.00 0.00 C ATOM 291 SD MET A 474 -9.108 0.828 2.593 1.00 0.00 S ATOM 292 CE MET A 474 -10.196 0.904 4.013 1.00 0.00 C ATOM 0 H MET A 474 -5.491 3.711 3.453 1.00 0.00 H new ATOM 0 HA MET A 474 -4.970 1.204 2.308 1.00 0.00 H new ATOM 0 HB2 MET A 474 -5.976 1.304 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.238 2.395 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.043 -0.376 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 474 -7.769 -0.143 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.197 1.188 3.689 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.234 -0.073 4.495 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.820 1.643 4.720 1.00 0.00 H new ATOM 302 N GLY A 475 -6.275 0.963 0.232 1.00 0.00 N ATOM 303 CA GLY A 475 -7.015 0.825 -1.009 1.00 0.00 C ATOM 304 C GLY A 475 -6.176 1.166 -2.225 1.00 0.00 C ATOM 305 O GLY A 475 -6.579 0.904 -3.358 1.00 0.00 O ATOM 0 H GLY A 475 -5.481 0.330 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.380 -0.198 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -7.890 1.475 -0.981 1.00 0.00 H new ATOM 309 N ASP A 476 -5.008 1.752 -1.990 1.00 0.00 N ATOM 310 CA ASP A 476 -4.110 2.130 -3.075 1.00 0.00 C ATOM 311 C ASP A 476 -3.013 1.086 -3.261 1.00 0.00 C ATOM 312 O ASP A 476 -2.618 0.409 -2.311 1.00 0.00 O ATOM 313 CB ASP A 476 -3.486 3.499 -2.797 1.00 0.00 C ATOM 314 CG ASP A 476 -4.363 4.641 -3.271 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.580 4.422 -3.445 1.00 0.00 O ATOM 316 OD2 ASP A 476 -3.831 5.754 -3.470 1.00 0.00 O ATOM 0 H ASP A 476 -4.660 1.976 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.694 2.186 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.306 3.603 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.516 3.560 -3.291 1.00 0.00 H new ATOM 321 N HIS A 477 -2.526 0.959 -4.492 1.00 0.00 N ATOM 322 CA HIS A 477 -1.475 -0.003 -4.803 1.00 0.00 C ATOM 323 C HIS A 477 -0.097 0.586 -4.514 1.00 0.00 C ATOM 324 O HIS A 477 0.209 1.705 -4.925 1.00 0.00 O ATOM 325 CB HIS A 477 -1.563 -0.431 -6.268 1.00 0.00 C ATOM 326 CG HIS A 477 -0.348 -1.158 -6.754 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.397 -0.739 -7.837 1.00 0.00 N ATOM 328 CD2 HIS A 477 0.254 -2.281 -6.297 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.402 -1.575 -8.026 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.339 -2.519 -7.105 1.00 0.00 N ATOM 0 H HIS A 477 -2.843 1.510 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.617 -0.878 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.436 -1.071 -6.399 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.720 0.452 -6.887 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.060 -2.879 -5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.149 -1.499 -8.802 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.990 -3.298 -7.009 1.00 0.00 H new ATOM 338 N VAL A 478 0.730 -0.176 -3.805 1.00 0.00 N ATOM 339 CA VAL A 478 2.075 0.269 -3.462 1.00 0.00 C ATOM 340 C VAL A 478 3.101 -0.828 -3.724 1.00 0.00 C ATOM 341 O VAL A 478 2.774 -2.015 -3.712 1.00 0.00 O ATOM 342 CB VAL A 478 2.165 0.699 -1.986 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.599 2.099 -1.801 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.439 -0.300 -1.096 1.00 0.00 C ATOM 0 H VAL A 478 0.492 -1.105 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 478 2.295 1.127 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 478 3.215 0.717 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.671 2.385 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 478 2.166 2.804 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.554 2.113 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.512 0.019 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.390 -0.351 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 478 1.894 -1.284 -1.207 1.00 0.00 H new ATOM 354 N LYS A 479 4.344 -0.423 -3.961 1.00 0.00 N ATOM 355 CA LYS A 479 5.420 -1.370 -4.224 1.00 0.00 C ATOM 356 C LYS A 479 6.577 -1.164 -3.251 1.00 0.00 C ATOM 357 O LYS A 479 6.735 -0.086 -2.678 1.00 0.00 O ATOM 358 CB LYS A 479 5.918 -1.221 -5.664 1.00 0.00 C ATOM 359 CG LYS A 479 7.161 -2.040 -5.966 1.00 0.00 C ATOM 360 CD LYS A 479 7.576 -1.908 -7.421 1.00 0.00 C ATOM 361 CE LYS A 479 8.814 -2.738 -7.726 1.00 0.00 C ATOM 362 NZ LYS A 479 9.164 -2.702 -9.173 1.00 0.00 N ATOM 0 H LYS A 479 4.631 0.556 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 479 5.026 -2.377 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.122 -1.518 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.130 -0.170 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.978 -1.713 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 479 6.972 -3.088 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.756 -2.226 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.773 -0.861 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.654 -2.366 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 479 8.644 -3.770 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.013 -3.280 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.373 -3.081 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.352 -1.720 -9.460 1.00 0.00 H new ATOM 376 N VAL A 480 7.385 -2.204 -3.070 1.00 0.00 N ATOM 377 CA VAL A 480 8.529 -2.136 -2.169 1.00 0.00 C ATOM 378 C VAL A 480 9.819 -1.870 -2.937 1.00 0.00 C ATOM 379 O VAL A 480 10.158 -2.598 -3.871 1.00 0.00 O ATOM 380 CB VAL A 480 8.685 -3.438 -1.361 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.648 -3.234 -0.201 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.331 -3.921 -0.862 1.00 0.00 C ATOM 0 H VAL A 480 7.268 -3.104 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 480 8.342 -1.311 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 480 9.100 -4.204 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.746 -4.164 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.624 -2.938 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.265 -2.454 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.460 -4.842 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.886 -3.159 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.676 -4.109 -1.712 1.00 0.00 H new ATOM 392 N ILE A 481 10.533 -0.824 -2.538 1.00 0.00 N ATOM 393 CA ILE A 481 11.787 -0.463 -3.188 1.00 0.00 C ATOM 394 C ILE A 481 12.980 -0.766 -2.288 1.00 0.00 C ATOM 395 O ILE A 481 14.068 -1.084 -2.768 1.00 0.00 O ATOM 396 CB ILE A 481 11.814 1.029 -3.570 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.726 1.901 -2.316 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.675 1.351 -4.527 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.965 3.371 -2.584 1.00 0.00 C ATOM 0 H ILE A 481 10.265 -0.211 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 481 11.856 -1.064 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 481 12.757 1.243 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.741 1.778 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.456 1.550 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.707 2.409 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.779 0.751 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.722 1.124 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.887 3.928 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.961 3.507 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.219 3.738 -3.289 1.00 0.00 H new ATOM 411 N ALA A 482 12.768 -0.668 -0.980 1.00 0.00 N ATOM 412 CA ALA A 482 13.824 -0.936 -0.012 1.00 0.00 C ATOM 413 C ALA A 482 13.294 -1.738 1.172 1.00 0.00 C ATOM 414 O ALA A 482 12.088 -1.935 1.310 1.00 0.00 O ATOM 415 CB ALA A 482 14.445 0.368 0.467 1.00 0.00 C ATOM 0 H ALA A 482 11.874 -0.405 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 482 14.592 -1.532 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.232 0.152 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.869 0.903 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.679 0.984 0.938 1.00 0.00 H new ATOM 421 N GLY A 483 14.205 -2.200 2.024 1.00 0.00 N ATOM 422 CA GLY A 483 13.809 -2.976 3.184 1.00 0.00 C ATOM 423 C GLY A 483 14.081 -4.457 3.011 1.00 0.00 C ATOM 424 O GLY A 483 14.971 -4.848 2.257 1.00 0.00 O ATOM 0 H GLY A 483 15.210 -2.050 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.344 -2.612 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.746 -2.825 3.373 1.00 0.00 H new ATOM 428 N ARG A 484 13.312 -5.284 3.713 1.00 0.00 N ATOM 429 CA ARG A 484 13.476 -6.730 3.636 1.00 0.00 C ATOM 430 C ARG A 484 12.606 -7.318 2.528 1.00 0.00 C ATOM 431 O ARG A 484 12.875 -8.409 2.026 1.00 0.00 O ATOM 432 CB ARG A 484 13.121 -7.378 4.975 1.00 0.00 C ATOM 433 CG ARG A 484 13.365 -8.877 5.011 1.00 0.00 C ATOM 434 CD ARG A 484 13.155 -9.443 6.407 1.00 0.00 C ATOM 435 NE ARG A 484 13.689 -10.796 6.535 1.00 0.00 N ATOM 436 CZ ARG A 484 13.019 -11.887 6.182 1.00 0.00 C ATOM 437 NH1 ARG A 484 11.795 -11.785 5.682 1.00 0.00 N ATOM 438 NH2 ARG A 484 13.572 -13.084 6.329 1.00 0.00 N ATOM 0 H ARG A 484 12.570 -4.977 4.341 1.00 0.00 H new ATOM 0 HA ARG A 484 14.520 -6.939 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.705 -6.905 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 484 12.071 -7.184 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.692 -9.373 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.382 -9.089 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 484 13.636 -8.793 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 484 12.090 -9.450 6.639 1.00 0.00 H new ATOM 0 HE ARG A 484 14.628 -10.909 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 484 11.366 -10.867 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 484 11.283 -12.625 5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 484 14.513 -13.167 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 484 13.056 -13.921 6.057 1.00 0.00 H new ATOM 452 N PHE A 485 11.563 -6.586 2.152 1.00 0.00 N ATOM 453 CA PHE A 485 10.652 -7.035 1.105 1.00 0.00 C ATOM 454 C PHE A 485 10.889 -6.263 -0.190 1.00 0.00 C ATOM 455 O PHE A 485 9.945 -5.909 -0.895 1.00 0.00 O ATOM 456 CB PHE A 485 9.200 -6.865 1.555 1.00 0.00 C ATOM 457 CG PHE A 485 8.878 -7.593 2.828 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.640 -8.958 2.821 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.813 -6.912 4.033 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.343 -9.629 3.991 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.516 -7.579 5.207 1.00 0.00 C ATOM 462 CZ PHE A 485 8.282 -8.939 5.186 1.00 0.00 C ATOM 0 H PHE A 485 11.327 -5.680 2.556 1.00 0.00 H new ATOM 0 HA PHE A 485 10.846 -8.091 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.992 -5.804 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.539 -7.221 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 485 8.687 -9.503 1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.996 -5.848 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.158 -10.693 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.467 -7.036 6.140 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.052 -9.463 6.102 1.00 0.00 H new ATOM 472 N GLU A 486 12.157 -6.005 -0.495 1.00 0.00 N ATOM 473 CA GLU A 486 12.519 -5.274 -1.703 1.00 0.00 C ATOM 474 C GLU A 486 12.201 -6.093 -2.951 1.00 0.00 C ATOM 475 O GLU A 486 12.666 -7.223 -3.100 1.00 0.00 O ATOM 476 CB GLU A 486 14.005 -4.912 -1.682 1.00 0.00 C ATOM 477 CG GLU A 486 14.501 -4.301 -2.982 1.00 0.00 C ATOM 478 CD GLU A 486 15.933 -3.811 -2.887 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.313 -3.296 -1.815 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.673 -3.943 -3.884 1.00 0.00 O ATOM 0 H GLU A 486 12.951 -6.292 0.078 1.00 0.00 H new ATOM 0 HA GLU A 486 11.930 -4.357 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.188 -4.211 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.586 -5.809 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.426 -5.041 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 486 13.854 -3.469 -3.258 1.00 0.00 H new ATOM 487 N GLY A 487 11.404 -5.516 -3.845 1.00 0.00 N ATOM 488 CA GLY A 487 11.037 -6.206 -5.067 1.00 0.00 C ATOM 489 C GLY A 487 9.681 -6.877 -4.969 1.00 0.00 C ATOM 490 O GLY A 487 9.390 -7.815 -5.711 1.00 0.00 O ATOM 0 H GLY A 487 11.006 -4.582 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 487 11.028 -5.495 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.794 -6.955 -5.299 1.00 0.00 H new ATOM 494 N ASP A 488 8.851 -6.398 -4.049 1.00 0.00 N ATOM 495 CA ASP A 488 7.518 -6.958 -3.856 1.00 0.00 C ATOM 496 C ASP A 488 6.444 -5.908 -4.120 1.00 0.00 C ATOM 497 O ASP A 488 6.743 -4.725 -4.287 1.00 0.00 O ATOM 498 CB ASP A 488 7.374 -7.507 -2.436 1.00 0.00 C ATOM 499 CG ASP A 488 6.187 -8.440 -2.294 1.00 0.00 C ATOM 500 OD1 ASP A 488 5.042 -7.943 -2.267 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.404 -9.667 -2.209 1.00 0.00 O ATOM 0 H ASP A 488 9.077 -5.623 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 488 7.386 -7.773 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.285 -8.038 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 488 7.266 -6.677 -1.738 1.00 0.00 H new ATOM 506 N THR A 489 5.190 -6.348 -4.158 1.00 0.00 N ATOM 507 CA THR A 489 4.071 -5.447 -4.404 1.00 0.00 C ATOM 508 C THR A 489 2.810 -5.931 -3.698 1.00 0.00 C ATOM 509 O THR A 489 2.675 -7.113 -3.388 1.00 0.00 O ATOM 510 CB THR A 489 3.781 -5.310 -5.911 1.00 0.00 C ATOM 511 OG1 THR A 489 3.594 -6.604 -6.494 1.00 0.00 O ATOM 512 CG2 THR A 489 4.920 -4.590 -6.618 1.00 0.00 C ATOM 0 H THR A 489 4.924 -7.323 -4.021 1.00 0.00 H new ATOM 0 HA THR A 489 4.356 -4.473 -4.006 1.00 0.00 H new ATOM 0 HB THR A 489 2.870 -4.723 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.408 -6.508 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.693 -4.505 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.041 -3.594 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.843 -5.155 -6.488 1.00 0.00 H new ATOM 520 N GLY A 490 1.886 -5.007 -3.446 1.00 0.00 N ATOM 521 CA GLY A 490 0.647 -5.360 -2.778 1.00 0.00 C ATOM 522 C GLY A 490 -0.271 -4.168 -2.592 1.00 0.00 C ATOM 523 O GLY A 490 0.060 -3.052 -2.994 1.00 0.00 O ATOM 0 H GLY A 490 1.974 -4.021 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.131 -6.125 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.874 -5.796 -1.805 1.00 0.00 H new ATOM 527 N LEU A 491 -1.427 -4.404 -1.983 1.00 0.00 N ATOM 528 CA LEU A 491 -2.398 -3.341 -1.746 1.00 0.00 C ATOM 529 C LEU A 491 -2.386 -2.910 -0.283 1.00 0.00 C ATOM 530 O LEU A 491 -2.027 -3.688 0.601 1.00 0.00 O ATOM 531 CB LEU A 491 -3.800 -3.807 -2.141 1.00 0.00 C ATOM 532 CG LEU A 491 -4.207 -3.555 -3.593 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.470 -4.329 -3.936 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.407 -2.067 -3.841 1.00 0.00 C ATOM 0 H LEU A 491 -1.715 -5.322 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.120 -2.485 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.874 -4.877 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.522 -3.312 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.404 -3.906 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.744 -4.137 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.292 -5.396 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.281 -4.010 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.696 -1.907 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.191 -1.691 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.477 -1.536 -3.637 1.00 0.00 H new ATOM 546 N ILE A 492 -2.783 -1.666 -0.035 1.00 0.00 N ATOM 547 CA ILE A 492 -2.822 -1.133 1.321 1.00 0.00 C ATOM 548 C ILE A 492 -4.135 -1.483 2.013 1.00 0.00 C ATOM 549 O ILE A 492 -5.194 -0.967 1.655 1.00 0.00 O ATOM 550 CB ILE A 492 -2.641 0.396 1.330 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.413 0.792 0.508 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.516 0.907 2.758 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.317 2.278 0.241 1.00 0.00 C ATOM 0 H ILE A 492 -3.082 -1.009 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 492 -1.996 -1.592 1.864 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.521 0.853 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.515 0.467 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.436 0.261 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.389 1.989 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.418 0.653 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.652 0.445 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.422 2.485 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.198 2.606 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.262 2.815 1.188 1.00 0.00 H new ATOM 565 N VAL A 493 -4.059 -2.362 3.007 1.00 0.00 N ATOM 566 CA VAL A 493 -5.241 -2.779 3.751 1.00 0.00 C ATOM 567 C VAL A 493 -5.333 -2.053 5.088 1.00 0.00 C ATOM 568 O VAL A 493 -6.425 -1.741 5.563 1.00 0.00 O ATOM 569 CB VAL A 493 -5.237 -4.299 4.004 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.658 -5.050 2.750 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.866 -4.757 4.475 1.00 0.00 C ATOM 0 H VAL A 493 -3.191 -2.799 3.316 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.107 -2.522 3.141 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.958 -4.521 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.649 -6.122 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.663 -4.742 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.964 -4.825 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.882 -5.833 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.123 -4.523 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.609 -4.244 5.402 1.00 0.00 H new ATOM 581 N ARG A 494 -4.179 -1.786 5.691 1.00 0.00 N ATOM 582 CA ARG A 494 -4.129 -1.096 6.974 1.00 0.00 C ATOM 583 C ARG A 494 -2.930 -0.154 7.039 1.00 0.00 C ATOM 584 O ARG A 494 -1.783 -0.582 6.906 1.00 0.00 O ATOM 585 CB ARG A 494 -4.059 -2.108 8.119 1.00 0.00 C ATOM 586 CG ARG A 494 -4.549 -1.559 9.449 1.00 0.00 C ATOM 587 CD ARG A 494 -4.914 -2.677 10.413 1.00 0.00 C ATOM 588 NE ARG A 494 -5.318 -2.164 11.719 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.584 -2.940 12.763 1.00 0.00 C ATOM 590 NH1 ARG A 494 -5.489 -4.258 12.655 1.00 0.00 N ATOM 591 NH2 ARG A 494 -5.946 -2.398 13.919 1.00 0.00 N ATOM 0 H ARG A 494 -3.266 -2.037 5.311 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.039 -0.505 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.653 -2.983 7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.029 -2.445 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.775 -0.933 9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.418 -0.922 9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.725 -3.270 9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.061 -3.344 10.534 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.400 -1.154 11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -5.211 -4.678 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -5.694 -4.852 13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -6.020 -1.384 14.006 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -6.150 -2.995 14.720 1.00 0.00 H new ATOM 605 N VAL A 495 -3.203 1.130 7.244 1.00 0.00 N ATOM 606 CA VAL A 495 -2.147 2.132 7.328 1.00 0.00 C ATOM 607 C VAL A 495 -2.012 2.671 8.747 1.00 0.00 C ATOM 608 O VAL A 495 -2.939 3.279 9.282 1.00 0.00 O ATOM 609 CB VAL A 495 -2.412 3.307 6.367 1.00 0.00 C ATOM 610 CG1 VAL A 495 -3.860 3.762 6.466 1.00 0.00 C ATOM 611 CG2 VAL A 495 -1.461 4.458 6.660 1.00 0.00 C ATOM 0 H VAL A 495 -4.147 1.501 7.355 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.218 1.639 7.041 1.00 0.00 H new ATOM 0 HB VAL A 495 -2.233 2.968 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -4.028 4.592 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -4.520 2.935 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -4.071 4.085 7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -1.662 5.280 5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.607 4.799 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -0.432 4.121 6.533 1.00 0.00 H new ATOM 621 N GLU A 496 -0.850 2.444 9.352 1.00 0.00 N ATOM 622 CA GLU A 496 -0.594 2.908 10.711 1.00 0.00 C ATOM 623 C GLU A 496 0.310 4.137 10.706 1.00 0.00 C ATOM 624 O GLU A 496 0.993 4.413 9.720 1.00 0.00 O ATOM 625 CB GLU A 496 0.047 1.793 11.541 1.00 0.00 C ATOM 626 CG GLU A 496 -0.841 0.572 11.709 1.00 0.00 C ATOM 627 CD GLU A 496 -2.065 0.852 12.559 1.00 0.00 C ATOM 628 OE1 GLU A 496 -1.943 1.615 13.540 1.00 0.00 O ATOM 629 OE2 GLU A 496 -3.144 0.310 12.243 1.00 0.00 O ATOM 0 H GLU A 496 -0.072 1.942 8.923 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.549 3.183 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.981 1.490 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.301 2.185 12.526 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.158 0.220 10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.264 -0.232 12.164 1.00 0.00 H new ATOM 636 N GLU A 497 0.308 4.871 11.814 1.00 0.00 N ATOM 637 CA GLU A 497 1.127 6.071 11.936 1.00 0.00 C ATOM 638 C GLU A 497 2.612 5.726 11.870 1.00 0.00 C ATOM 639 O GLU A 497 3.431 6.540 11.445 1.00 0.00 O ATOM 640 CB GLU A 497 0.819 6.795 13.249 1.00 0.00 C ATOM 641 CG GLU A 497 1.122 5.966 14.486 1.00 0.00 C ATOM 642 CD GLU A 497 0.579 6.593 15.755 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.601 6.345 16.082 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.333 7.333 16.422 1.00 0.00 O ATOM 0 H GLU A 497 -0.251 4.656 12.639 1.00 0.00 H new ATOM 0 HA GLU A 497 0.887 6.729 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 497 1.397 7.718 13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -0.234 7.078 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 497 0.695 4.970 14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 497 2.201 5.841 14.580 1.00 0.00 H new ATOM 651 N ASN A 498 2.951 4.513 12.293 1.00 0.00 N ATOM 652 CA ASN A 498 4.337 4.059 12.283 1.00 0.00 C ATOM 653 C ASN A 498 4.689 3.415 10.946 1.00 0.00 C ATOM 654 O ASN A 498 5.499 3.942 10.184 1.00 0.00 O ATOM 655 CB ASN A 498 4.578 3.065 13.421 1.00 0.00 C ATOM 656 CG ASN A 498 4.164 3.619 14.770 1.00 0.00 C ATOM 657 OD1 ASN A 498 3.214 3.137 15.387 1.00 0.00 O ATOM 658 ND2 ASN A 498 4.878 4.638 15.236 1.00 0.00 N ATOM 0 H ASN A 498 2.285 3.826 12.647 1.00 0.00 H new ATOM 0 HA ASN A 498 4.979 4.928 12.427 1.00 0.00 H new ATOM 0 HB2 ASN A 498 4.023 2.148 13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.635 2.799 13.449 1.00 0.00 H new ATOM 0 HD21 ASN A 498 4.647 5.052 16.139 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.658 5.006 14.691 1.00 0.00 H new ATOM 665 N PHE A 499 4.073 2.270 10.667 1.00 0.00 N ATOM 666 CA PHE A 499 4.321 1.553 9.422 1.00 0.00 C ATOM 667 C PHE A 499 3.021 1.333 8.653 1.00 0.00 C ATOM 668 O PHE A 499 1.947 1.734 9.100 1.00 0.00 O ATOM 669 CB PHE A 499 4.991 0.207 9.709 1.00 0.00 C ATOM 670 CG PHE A 499 4.593 -0.391 11.028 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.434 -1.141 11.142 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.379 -0.203 12.154 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.066 -1.692 12.356 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.017 -0.752 13.369 1.00 0.00 C ATOM 675 CZ PHE A 499 3.859 -1.498 13.470 1.00 0.00 C ATOM 0 H PHE A 499 3.399 1.820 11.286 1.00 0.00 H new ATOM 0 HA PHE A 499 4.987 2.160 8.809 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.740 -0.492 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.073 0.337 9.690 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.811 -1.297 10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.285 0.380 12.081 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.159 -2.274 12.433 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.639 -0.598 14.239 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.574 -1.929 14.418 1.00 0.00 H new ATOM 685 N VAL A 500 3.128 0.693 7.493 1.00 0.00 N ATOM 686 CA VAL A 500 1.963 0.419 6.661 1.00 0.00 C ATOM 687 C VAL A 500 1.860 -1.066 6.331 1.00 0.00 C ATOM 688 O VAL A 500 2.828 -1.682 5.886 1.00 0.00 O ATOM 689 CB VAL A 500 2.009 1.222 5.348 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.755 0.972 4.523 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.178 2.706 5.637 1.00 0.00 C ATOM 0 H VAL A 500 4.010 0.355 7.108 1.00 0.00 H new ATOM 0 HA VAL A 500 1.087 0.723 7.234 1.00 0.00 H new ATOM 0 HB VAL A 500 2.869 0.887 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.806 1.548 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.682 -0.089 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.122 1.278 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.209 3.258 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.339 3.058 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.108 2.867 6.183 1.00 0.00 H new ATOM 701 N ILE A 501 0.680 -1.635 6.553 1.00 0.00 N ATOM 702 CA ILE A 501 0.450 -3.048 6.278 1.00 0.00 C ATOM 703 C ILE A 501 -0.224 -3.242 4.924 1.00 0.00 C ATOM 704 O ILE A 501 -1.389 -2.886 4.741 1.00 0.00 O ATOM 705 CB ILE A 501 -0.420 -3.700 7.370 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.069 -3.124 8.743 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.238 -5.210 7.360 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.419 -3.039 9.000 1.00 0.00 C ATOM 0 H ILE A 501 -0.131 -1.139 6.922 1.00 0.00 H new ATOM 0 HA ILE A 501 1.427 -3.530 6.267 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.467 -3.479 7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.502 -2.128 8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.528 -3.741 9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.859 -5.656 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.533 -5.606 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.808 -5.452 7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.594 -2.622 9.992 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.855 -4.036 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.882 -2.398 8.250 1.00 0.00 H new ATOM 720 N LEU A 502 0.516 -3.810 3.978 1.00 0.00 N ATOM 721 CA LEU A 502 -0.010 -4.055 2.639 1.00 0.00 C ATOM 722 C LEU A 502 -0.170 -5.549 2.381 1.00 0.00 C ATOM 723 O LEU A 502 0.702 -6.347 2.728 1.00 0.00 O ATOM 724 CB LEU A 502 0.914 -3.440 1.587 1.00 0.00 C ATOM 725 CG LEU A 502 2.177 -4.235 1.256 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.739 -3.809 -0.091 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.220 -4.059 2.351 1.00 0.00 C ATOM 0 H LEU A 502 1.482 -4.110 4.113 1.00 0.00 H new ATOM 0 HA LEU A 502 -0.992 -3.587 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.344 -3.302 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.212 -2.449 1.929 1.00 0.00 H new ATOM 0 HG LEU A 502 1.914 -5.291 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.638 -4.386 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.996 -3.987 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.987 -2.748 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.112 -4.632 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.479 -3.004 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.816 -4.415 3.299 1.00 0.00 H new ATOM 739 N PHE A 503 -1.289 -5.923 1.769 1.00 0.00 N ATOM 740 CA PHE A 503 -1.563 -7.322 1.463 1.00 0.00 C ATOM 741 C PHE A 503 -0.851 -7.748 0.182 1.00 0.00 C ATOM 742 O PHE A 503 -0.813 -7.002 -0.797 1.00 0.00 O ATOM 743 CB PHE A 503 -3.069 -7.550 1.323 1.00 0.00 C ATOM 744 CG PHE A 503 -3.441 -8.992 1.124 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.283 -9.909 2.150 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.950 -9.429 -0.088 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.624 -11.236 1.970 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.293 -10.755 -0.274 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.131 -11.660 0.756 1.00 0.00 C ATOM 0 H PHE A 503 -2.021 -5.276 1.475 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.186 -7.929 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.570 -7.174 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.440 -6.968 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -2.889 -9.583 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -4.080 -8.725 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.494 -11.941 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.687 -11.083 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.400 -12.696 0.614 1.00 0.00 H new ATOM 759 N SER A 504 -0.288 -8.952 0.197 1.00 0.00 N ATOM 760 CA SER A 504 0.427 -9.476 -0.961 1.00 0.00 C ATOM 761 C SER A 504 -0.511 -10.273 -1.862 1.00 0.00 C ATOM 762 O SER A 504 -1.450 -10.913 -1.389 1.00 0.00 O ATOM 763 CB SER A 504 1.592 -10.359 -0.510 1.00 0.00 C ATOM 764 OG SER A 504 2.147 -11.068 -1.604 1.00 0.00 O ATOM 0 H SER A 504 -0.313 -9.583 0.998 1.00 0.00 H new ATOM 0 HA SER A 504 0.819 -8.632 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.361 -9.742 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.247 -11.064 0.247 1.00 0.00 H new ATOM 0 HG SER A 504 3.054 -11.362 -1.377 1.00 0.00 H new ATOM 770 N ASP A 505 -0.249 -10.229 -3.164 1.00 0.00 N ATOM 771 CA ASP A 505 -1.067 -10.948 -4.133 1.00 0.00 C ATOM 772 C ASP A 505 -0.456 -12.307 -4.459 1.00 0.00 C ATOM 773 O ASP A 505 -1.135 -13.198 -4.973 1.00 0.00 O ATOM 774 CB ASP A 505 -1.222 -10.124 -5.413 1.00 0.00 C ATOM 775 CG ASP A 505 -2.364 -10.612 -6.281 1.00 0.00 C ATOM 776 OD1 ASP A 505 -3.516 -10.197 -6.036 1.00 0.00 O ATOM 777 OD2 ASP A 505 -2.106 -11.409 -7.208 1.00 0.00 O ATOM 0 H ASP A 505 0.524 -9.703 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 505 -2.051 -11.109 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.389 -9.079 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.294 -10.165 -5.983 1.00 0.00 H new ATOM 782 N LEU A 506 0.829 -12.460 -4.159 1.00 0.00 N ATOM 783 CA LEU A 506 1.532 -13.710 -4.421 1.00 0.00 C ATOM 784 C LEU A 506 1.547 -14.597 -3.180 1.00 0.00 C ATOM 785 O LEU A 506 1.130 -15.755 -3.225 1.00 0.00 O ATOM 786 CB LEU A 506 2.965 -13.427 -4.876 1.00 0.00 C ATOM 787 CG LEU A 506 3.113 -12.546 -6.117 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.570 -12.165 -6.330 1.00 0.00 C ATOM 789 CD2 LEU A 506 2.561 -13.257 -7.344 1.00 0.00 C ATOM 0 H LEU A 506 1.405 -11.733 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 506 1.002 -14.236 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.500 -12.953 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.458 -14.379 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 506 2.539 -11.633 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 506 4.656 -11.538 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 506 4.933 -11.616 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.166 -13.068 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 506 2.674 -12.616 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.108 -14.187 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 506 1.505 -13.479 -7.191 1.00 0.00 H new ATOM 801 N THR A 507 2.028 -14.046 -2.070 1.00 0.00 N ATOM 802 CA THR A 507 2.096 -14.785 -0.816 1.00 0.00 C ATOM 803 C THR A 507 0.751 -14.777 -0.099 1.00 0.00 C ATOM 804 O THR A 507 0.530 -15.547 0.835 1.00 0.00 O ATOM 805 CB THR A 507 3.169 -14.202 0.122 1.00 0.00 C ATOM 806 OG1 THR A 507 2.778 -12.898 0.563 1.00 0.00 O ATOM 807 CG2 THR A 507 4.517 -14.123 -0.579 1.00 0.00 C ATOM 0 H THR A 507 2.377 -13.089 -2.014 1.00 0.00 H new ATOM 0 HA THR A 507 2.363 -15.811 -1.068 1.00 0.00 H new ATOM 0 HB THR A 507 3.264 -14.863 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.465 -12.535 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.258 -13.708 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.826 -15.122 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.434 -13.482 -1.457 1.00 0.00 H new ATOM 815 N MET A 508 -0.145 -13.901 -0.543 1.00 0.00 N ATOM 816 CA MET A 508 -1.470 -13.794 0.057 1.00 0.00 C ATOM 817 C MET A 508 -1.370 -13.608 1.567 1.00 0.00 C ATOM 818 O MET A 508 -2.060 -14.282 2.333 1.00 0.00 O ATOM 819 CB MET A 508 -2.299 -15.041 -0.261 1.00 0.00 C ATOM 820 CG MET A 508 -2.215 -15.472 -1.716 1.00 0.00 C ATOM 821 SD MET A 508 -3.310 -16.853 -2.096 1.00 0.00 S ATOM 822 CE MET A 508 -2.324 -18.234 -1.522 1.00 0.00 C ATOM 0 H MET A 508 0.022 -13.256 -1.315 1.00 0.00 H new ATOM 0 HA MET A 508 -1.964 -12.920 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.963 -15.862 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.341 -14.849 -0.007 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.467 -14.627 -2.356 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.188 -15.753 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 508 -2.868 -19.164 -1.689 1.00 0.00 H new ATOM 0 HE2 MET A 508 -1.382 -18.261 -2.070 1.00 0.00 H new ATOM 0 HE3 MET A 508 -2.121 -18.119 -0.457 1.00 0.00 H new ATOM 832 N HIS A 509 -0.507 -12.689 1.989 1.00 0.00 N ATOM 833 CA HIS A 509 -0.318 -12.413 3.409 1.00 0.00 C ATOM 834 C HIS A 509 -0.192 -10.914 3.660 1.00 0.00 C ATOM 835 O HIS A 509 -0.106 -10.124 2.720 1.00 0.00 O ATOM 836 CB HIS A 509 0.926 -13.135 3.929 1.00 0.00 C ATOM 837 CG HIS A 509 0.809 -14.628 3.899 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.273 -15.308 4.416 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.646 -15.572 3.409 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.096 -16.606 4.247 1.00 0.00 C ATOM 841 NE2 HIS A 509 1.061 -16.793 3.638 1.00 0.00 N ATOM 0 H HIS A 509 0.072 -12.123 1.368 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.193 -12.780 3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.787 -12.834 3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.121 -12.815 4.953 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.597 -15.397 2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -0.781 -17.382 4.555 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.456 -17.697 3.380 1.00 0.00 H new ATOM 849 N GLU A 510 -0.184 -10.530 4.932 1.00 0.00 N ATOM 850 CA GLU A 510 -0.071 -9.124 5.305 1.00 0.00 C ATOM 851 C GLU A 510 1.361 -8.781 5.706 1.00 0.00 C ATOM 852 O GLU A 510 1.845 -9.214 6.753 1.00 0.00 O ATOM 853 CB GLU A 510 -1.026 -8.800 6.455 1.00 0.00 C ATOM 854 CG GLU A 510 -2.403 -8.352 5.995 1.00 0.00 C ATOM 855 CD GLU A 510 -3.379 -8.191 7.145 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.013 -8.539 8.287 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.508 -7.717 6.902 1.00 0.00 O ATOM 0 H GLU A 510 -0.254 -11.172 5.722 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.341 -8.522 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -1.132 -9.682 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.586 -8.017 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.314 -7.404 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.799 -9.079 5.286 1.00 0.00 H new ATOM 864 N LEU A 511 2.034 -8.003 4.867 1.00 0.00 N ATOM 865 CA LEU A 511 3.411 -7.601 5.132 1.00 0.00 C ATOM 866 C LEU A 511 3.463 -6.199 5.730 1.00 0.00 C ATOM 867 O LEU A 511 2.821 -5.275 5.231 1.00 0.00 O ATOM 868 CB LEU A 511 4.234 -7.650 3.844 1.00 0.00 C ATOM 869 CG LEU A 511 4.163 -8.955 3.051 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.770 -8.774 1.668 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.868 -10.075 3.802 1.00 0.00 C ATOM 0 H LEU A 511 1.649 -7.637 3.996 1.00 0.00 H new ATOM 0 HA LEU A 511 3.835 -8.299 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.907 -6.837 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.277 -7.457 4.095 1.00 0.00 H new ATOM 0 HG LEU A 511 3.114 -9.228 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.710 -9.714 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.221 -8.002 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.814 -8.476 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.807 -10.996 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.914 -9.810 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 511 4.388 -10.223 4.769 1.00 0.00 H new ATOM 883 N LYS A 512 4.235 -6.046 6.801 1.00 0.00 N ATOM 884 CA LYS A 512 4.375 -4.756 7.466 1.00 0.00 C ATOM 885 C LYS A 512 5.643 -4.043 7.007 1.00 0.00 C ATOM 886 O LYS A 512 6.753 -4.535 7.211 1.00 0.00 O ATOM 887 CB LYS A 512 4.404 -4.943 8.985 1.00 0.00 C ATOM 888 CG LYS A 512 4.648 -3.654 9.751 1.00 0.00 C ATOM 889 CD LYS A 512 5.209 -3.927 11.136 1.00 0.00 C ATOM 890 CE LYS A 512 6.719 -4.112 11.100 1.00 0.00 C ATOM 891 NZ LYS A 512 7.098 -5.516 10.777 1.00 0.00 N ATOM 0 H LYS A 512 4.774 -6.800 7.227 1.00 0.00 H new ATOM 0 HA LYS A 512 3.516 -4.141 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.456 -5.374 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.184 -5.661 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.342 -3.024 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.714 -3.099 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.959 -3.100 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 512 4.742 -4.821 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.150 -3.440 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 512 7.142 -3.834 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.910 -5.800 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.294 -6.146 10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.355 -5.584 9.772 1.00 0.00 H new ATOM 905 N VAL A 513 5.470 -2.880 6.387 1.00 0.00 N ATOM 906 CA VAL A 513 6.600 -2.097 5.901 1.00 0.00 C ATOM 907 C VAL A 513 6.366 -0.605 6.108 1.00 0.00 C ATOM 908 O VAL A 513 5.253 -0.109 5.926 1.00 0.00 O ATOM 909 CB VAL A 513 6.865 -2.361 4.407 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.272 -1.924 4.028 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.648 -3.831 4.079 1.00 0.00 C ATOM 0 H VAL A 513 4.558 -2.459 6.209 1.00 0.00 H new ATOM 0 HA VAL A 513 7.471 -2.408 6.478 1.00 0.00 H new ATOM 0 HB VAL A 513 6.158 -1.773 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.440 -2.118 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.387 -0.858 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 513 8.998 -2.482 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 513 6.840 -3.999 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.329 -4.441 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.619 -4.107 4.310 1.00 0.00 H new ATOM 921 N LEU A 514 7.420 0.106 6.491 1.00 0.00 N ATOM 922 CA LEU A 514 7.330 1.544 6.723 1.00 0.00 C ATOM 923 C LEU A 514 7.003 2.285 5.430 1.00 0.00 C ATOM 924 O LEU A 514 7.331 1.839 4.330 1.00 0.00 O ATOM 925 CB LEU A 514 8.642 2.069 7.308 1.00 0.00 C ATOM 926 CG LEU A 514 9.113 1.406 8.602 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.537 1.829 8.931 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.174 1.750 9.750 1.00 0.00 C ATOM 0 H LEU A 514 8.347 -0.289 6.648 1.00 0.00 H new ATOM 0 HA LEU A 514 6.525 1.723 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.424 1.951 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.533 3.138 7.490 1.00 0.00 H new ATOM 0 HG LEU A 514 9.100 0.325 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 514 10.855 1.347 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.201 1.532 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.576 2.911 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.525 1.269 10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.155 2.830 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.170 1.397 9.517 1.00 0.00 H new ATOM 940 N PRO A 515 6.343 3.445 5.563 1.00 0.00 N ATOM 941 CA PRO A 515 5.959 4.274 4.417 1.00 0.00 C ATOM 942 C PRO A 515 7.163 4.924 3.743 1.00 0.00 C ATOM 943 O PRO A 515 7.015 5.694 2.795 1.00 0.00 O ATOM 944 CB PRO A 515 5.053 5.340 5.037 1.00 0.00 C ATOM 945 CG PRO A 515 5.486 5.424 6.460 1.00 0.00 C ATOM 946 CD PRO A 515 5.919 4.036 6.844 1.00 0.00 C ATOM 0 HA PRO A 515 5.477 3.689 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.167 6.299 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.002 5.061 4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.304 6.135 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 515 4.671 5.768 7.096 1.00 0.00 H new ATOM 0 HD2 PRO A 515 6.734 4.055 7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.104 3.472 7.297 1.00 0.00 H new ATOM 954 N ARG A 516 8.355 4.608 4.240 1.00 0.00 N ATOM 955 CA ARG A 516 9.584 5.163 3.686 1.00 0.00 C ATOM 956 C ARG A 516 10.247 4.172 2.734 1.00 0.00 C ATOM 957 O ARG A 516 11.256 4.483 2.101 1.00 0.00 O ATOM 958 CB ARG A 516 10.554 5.532 4.810 1.00 0.00 C ATOM 959 CG ARG A 516 11.180 4.328 5.495 1.00 0.00 C ATOM 960 CD ARG A 516 12.462 4.705 6.222 1.00 0.00 C ATOM 961 NE ARG A 516 12.197 5.263 7.545 1.00 0.00 N ATOM 962 CZ ARG A 516 13.147 5.529 8.434 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.418 5.289 8.143 1.00 0.00 N ATOM 964 NH2 ARG A 516 12.826 6.037 9.617 1.00 0.00 N ATOM 0 H ARG A 516 8.495 3.971 5.024 1.00 0.00 H new ATOM 0 HA ARG A 516 9.327 6.062 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.346 6.160 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.025 6.128 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.470 3.902 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.393 3.557 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.095 3.823 6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.016 5.431 5.627 1.00 0.00 H new ATOM 0 HE ARG A 516 11.229 5.459 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.668 4.899 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.146 5.494 8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 516 11.849 6.223 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 516 13.556 6.241 10.299 1.00 0.00 H new ATOM 978 N ASP A 517 9.673 2.977 2.638 1.00 0.00 N ATOM 979 CA ASP A 517 10.207 1.941 1.762 1.00 0.00 C ATOM 980 C ASP A 517 9.161 1.497 0.744 1.00 0.00 C ATOM 981 O ASP A 517 9.282 0.432 0.138 1.00 0.00 O ATOM 982 CB ASP A 517 10.676 0.740 2.585 1.00 0.00 C ATOM 983 CG ASP A 517 11.752 1.110 3.588 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.802 1.635 3.163 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.544 0.874 4.796 1.00 0.00 O ATOM 0 H ASP A 517 8.838 2.702 3.156 1.00 0.00 H new ATOM 0 HA ASP A 517 11.058 2.358 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.825 0.310 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.058 -0.030 1.914 1.00 0.00 H new ATOM 990 N LEU A 518 8.135 2.321 0.560 1.00 0.00 N ATOM 991 CA LEU A 518 7.067 2.014 -0.384 1.00 0.00 C ATOM 992 C LEU A 518 6.914 3.128 -1.414 1.00 0.00 C ATOM 993 O LEU A 518 7.402 4.240 -1.216 1.00 0.00 O ATOM 994 CB LEU A 518 5.746 1.806 0.359 1.00 0.00 C ATOM 995 CG LEU A 518 5.776 0.803 1.513 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.382 0.612 2.090 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.350 -0.527 1.048 1.00 0.00 C ATOM 0 H LEU A 518 8.021 3.207 1.052 1.00 0.00 H new ATOM 0 HA LEU A 518 7.331 1.095 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.416 2.769 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.995 1.480 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 518 6.420 1.199 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.423 -0.105 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.008 1.566 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.715 0.238 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.364 -1.229 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.732 -0.929 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.366 -0.377 0.683 1.00 0.00 H new ATOM 1009 N GLN A 519 6.232 2.822 -2.513 1.00 0.00 N ATOM 1010 CA GLN A 519 6.013 3.799 -3.573 1.00 0.00 C ATOM 1011 C GLN A 519 4.744 3.478 -4.356 1.00 0.00 C ATOM 1012 O GLN A 519 4.566 2.360 -4.840 1.00 0.00 O ATOM 1013 CB GLN A 519 7.215 3.833 -4.519 1.00 0.00 C ATOM 1014 CG GLN A 519 7.486 2.505 -5.207 1.00 0.00 C ATOM 1015 CD GLN A 519 8.612 2.590 -6.219 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.187 3.657 -6.435 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.932 1.464 -6.845 1.00 0.00 N ATOM 0 H GLN A 519 5.822 1.906 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 519 5.894 4.779 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.048 4.598 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.101 4.129 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.734 1.755 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.578 2.167 -5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 519 8.428 0.602 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.682 1.460 -7.537 1.00 0.00 H new ATOM 1026 N LEU A 520 3.864 4.466 -4.476 1.00 0.00 N ATOM 1027 CA LEU A 520 2.610 4.289 -5.200 1.00 0.00 C ATOM 1028 C LEU A 520 2.869 3.950 -6.664 1.00 0.00 C ATOM 1029 O LEU A 520 3.963 4.182 -7.181 1.00 0.00 O ATOM 1030 CB LEU A 520 1.758 5.556 -5.101 1.00 0.00 C ATOM 1031 CG LEU A 520 0.801 5.631 -3.911 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.352 7.064 -3.676 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.400 4.724 -4.135 1.00 0.00 C ATOM 0 H LEU A 520 3.996 5.397 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 520 2.070 3.459 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.426 6.416 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.175 5.650 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 520 1.330 5.288 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.329 7.097 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.221 7.689 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.159 7.435 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -1.071 4.790 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.929 5.037 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 520 -0.062 3.695 -4.252 1.00 0.00 H new ATOM 1045 N CYS A 521 1.857 3.404 -7.328 1.00 0.00 N ATOM 1046 CA CYS A 521 1.975 3.034 -8.734 1.00 0.00 C ATOM 1047 C CYS A 521 1.339 4.092 -9.630 1.00 0.00 C ATOM 1048 O CYS A 521 1.792 4.325 -10.750 1.00 0.00 O ATOM 1049 CB CYS A 521 1.318 1.676 -8.983 1.00 0.00 C ATOM 1050 SG CYS A 521 1.042 1.298 -10.729 1.00 0.00 S ATOM 0 H CYS A 521 0.945 3.207 -6.916 1.00 0.00 H new ATOM 0 HA CYS A 521 3.035 2.966 -8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 521 1.944 0.897 -8.548 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.362 1.646 -8.460 1.00 0.00 H new ATOM 0 HG CYS A 521 1.253 2.364 -11.442 1.00 0.00 H new ATOM 1056 N SER A 522 0.285 4.729 -9.128 1.00 0.00 N ATOM 1057 CA SER A 522 -0.417 5.758 -9.885 1.00 0.00 C ATOM 1058 C SER A 522 0.295 7.102 -9.763 1.00 0.00 C ATOM 1059 O SER A 522 0.715 7.686 -10.762 1.00 0.00 O ATOM 1060 CB SER A 522 -1.860 5.886 -9.394 1.00 0.00 C ATOM 1061 OG SER A 522 -2.471 7.058 -9.908 1.00 0.00 O ATOM 0 H SER A 522 -0.101 4.550 -8.201 1.00 0.00 H new ATOM 0 HA SER A 522 -0.423 5.463 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 522 -2.431 5.010 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 522 -1.876 5.911 -8.304 1.00 0.00 H new ATOM 0 HG SER A 522 -3.393 7.116 -9.581 1.00 0.00 H new ATOM 1067 N GLU A 523 0.425 7.586 -8.532 1.00 0.00 N ATOM 1068 CA GLU A 523 1.085 8.862 -8.280 1.00 0.00 C ATOM 1069 C GLU A 523 2.580 8.664 -8.044 1.00 0.00 C ATOM 1070 O GLU A 523 3.035 7.550 -7.788 1.00 0.00 O ATOM 1071 CB GLU A 523 0.455 9.557 -7.071 1.00 0.00 C ATOM 1072 CG GLU A 523 0.574 11.071 -7.109 1.00 0.00 C ATOM 1073 CD GLU A 523 -0.549 11.764 -6.363 1.00 0.00 C ATOM 1074 OE1 GLU A 523 -1.725 11.542 -6.720 1.00 0.00 O ATOM 1075 OE2 GLU A 523 -0.252 12.529 -5.422 1.00 0.00 O ATOM 0 H GLU A 523 0.083 7.115 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 523 0.954 9.490 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -0.599 9.285 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 523 0.929 9.186 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.530 11.367 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 523 0.576 11.405 -8.146 1.00 0.00 H new TER 1082 GLU A 523