USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 505 LYS NZ :NH3+ 166:sc= -1.78 (180deg=-1.98) USER MOD Set 1.2: A 514 SER OG : rot -130:sc= 0 USER MOD Set 2.1: A 469 THR OG1 : rot 180:sc= -0.248 USER MOD Set 2.2: A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 40:sc= 0.279 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 176:sc= -3.48 (180deg=-3.66) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.34) USER MOD Single : A 479 THR OG1 : rot -62:sc= 0.71 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 489 THR OG1 : rot 71:sc= 0.72 USER MOD Single : A 491 ASN : amide:sc=-0.00565 K(o=-0.0057,f=-1.3) USER MOD Single : A 495 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.5) USER MOD Single : A 506 MET CE :methyl -163:sc= -0.136 (180deg=-0.626) USER MOD Single : A 508 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.37) USER MOD Single : A 510 LYS NZ :NH3+ 162:sc= -0.0649 (180deg=-0.494) USER MOD Single : A 511 MET CE :methyl 163:sc= -0.0163 (180deg=-0.285) USER MOD Single : A 512 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.12) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.511 0.464 4.055 1.00 0.00 N ATOM 46 CA VAL A 454 -9.211 -0.110 3.728 1.00 0.00 C ATOM 47 C VAL A 454 -8.641 -0.884 4.912 1.00 0.00 C ATOM 48 O VAL A 454 -8.676 -0.414 6.049 1.00 0.00 O ATOM 49 CB VAL A 454 -8.206 0.979 3.310 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.917 0.352 2.800 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.816 1.892 2.257 1.00 0.00 C ATOM 0 HA VAL A 454 -9.366 -0.791 2.891 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.967 1.581 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.220 1.138 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.471 -0.255 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.135 -0.277 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.092 2.655 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.087 1.305 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.707 2.370 2.663 1.00 0.00 H new ATOM 61 N THR A 455 -8.116 -2.074 4.638 1.00 0.00 N ATOM 62 CA THR A 455 -7.539 -2.914 5.681 1.00 0.00 C ATOM 63 C THR A 455 -6.016 -2.843 5.656 1.00 0.00 C ATOM 64 O THR A 455 -5.390 -3.083 4.624 1.00 0.00 O ATOM 65 CB THR A 455 -7.997 -4.363 5.511 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.411 -4.442 5.482 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.508 -5.279 6.612 1.00 0.00 C ATOM 0 H THR A 455 -8.078 -2.478 3.702 1.00 0.00 H new ATOM 0 HA THR A 455 -7.886 -2.542 6.645 1.00 0.00 H new ATOM 0 HB THR A 455 -7.564 -4.694 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.684 -5.377 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 455 -7.869 -6.291 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.418 -5.279 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.885 -4.927 7.572 1.00 0.00 H new ATOM 75 N GLU A 456 -5.425 -2.513 6.800 1.00 0.00 N ATOM 76 CA GLU A 456 -3.975 -2.411 6.911 1.00 0.00 C ATOM 77 C GLU A 456 -3.323 -3.786 6.811 1.00 0.00 C ATOM 78 O GLU A 456 -2.253 -3.936 6.221 1.00 0.00 O ATOM 79 CB GLU A 456 -3.590 -1.746 8.234 1.00 0.00 C ATOM 80 CG GLU A 456 -2.097 -1.493 8.376 1.00 0.00 C ATOM 81 CD GLU A 456 -1.725 -0.932 9.735 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.632 -0.759 10.577 1.00 0.00 O ATOM 83 OE2 GLU A 456 -0.526 -0.666 9.959 1.00 0.00 O ATOM 0 H GLU A 456 -5.929 -2.312 7.664 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.615 -1.798 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.121 -0.798 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.923 -2.376 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.557 -2.426 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.775 -0.798 7.600 1.00 0.00 H new ATOM 90 N ASP A 457 -3.974 -4.788 7.393 1.00 0.00 N ATOM 91 CA ASP A 457 -3.458 -6.151 7.371 1.00 0.00 C ATOM 92 C ASP A 457 -3.308 -6.655 5.939 1.00 0.00 C ATOM 93 O ASP A 457 -2.352 -7.361 5.616 1.00 0.00 O ATOM 94 CB ASP A 457 -4.383 -7.083 8.157 1.00 0.00 C ATOM 95 CG ASP A 457 -4.400 -6.766 9.640 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.491 -6.047 10.104 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.324 -7.236 10.336 1.00 0.00 O ATOM 0 H ASP A 457 -4.861 -4.681 7.886 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.474 -6.146 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.395 -7.005 7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.063 -8.115 8.013 1.00 0.00 H new ATOM 102 N ALA A 458 -4.258 -6.290 5.085 1.00 0.00 N ATOM 103 CA ALA A 458 -4.231 -6.706 3.688 1.00 0.00 C ATOM 104 C ALA A 458 -2.978 -6.193 2.987 1.00 0.00 C ATOM 105 O ALA A 458 -2.396 -6.885 2.152 1.00 0.00 O ATOM 106 CB ALA A 458 -5.479 -6.217 2.969 1.00 0.00 C ATOM 0 H ALA A 458 -5.056 -5.707 5.336 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.211 -7.795 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.446 -6.534 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.363 -6.637 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.523 -5.129 3.016 1.00 0.00 H new ATOM 112 N VAL A 459 -2.569 -4.976 3.330 1.00 0.00 N ATOM 113 CA VAL A 459 -1.385 -4.371 2.733 1.00 0.00 C ATOM 114 C VAL A 459 -0.126 -5.149 3.101 1.00 0.00 C ATOM 115 O VAL A 459 0.758 -5.350 2.268 1.00 0.00 O ATOM 116 CB VAL A 459 -1.219 -2.904 3.176 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.061 -2.248 2.440 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.509 -2.129 2.953 1.00 0.00 C ATOM 0 H VAL A 459 -3.041 -4.390 4.019 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.524 -4.402 1.652 1.00 0.00 H new ATOM 0 HB VAL A 459 -0.993 -2.891 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 459 0.039 -1.213 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.861 -2.788 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.251 -2.272 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.372 -1.096 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.768 -2.151 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.312 -2.584 3.533 1.00 0.00 H new ATOM 128 N ARG A 460 -0.050 -5.583 4.356 1.00 0.00 N ATOM 129 CA ARG A 460 1.101 -6.337 4.836 1.00 0.00 C ATOM 130 C ARG A 460 1.298 -7.613 4.023 1.00 0.00 C ATOM 131 O ARG A 460 2.428 -8.020 3.752 1.00 0.00 O ATOM 132 CB ARG A 460 0.928 -6.685 6.316 1.00 0.00 C ATOM 133 CG ARG A 460 2.171 -7.289 6.948 1.00 0.00 C ATOM 134 CD ARG A 460 1.943 -7.636 8.411 1.00 0.00 C ATOM 135 NE ARG A 460 1.192 -8.880 8.570 1.00 0.00 N ATOM 136 CZ ARG A 460 -0.137 -8.949 8.605 1.00 0.00 C ATOM 137 NH1 ARG A 460 -0.874 -7.851 8.489 1.00 0.00 N ATOM 138 NH2 ARG A 460 -0.734 -10.124 8.755 1.00 0.00 N ATOM 0 H ARG A 460 -0.773 -5.425 5.058 1.00 0.00 H new ATOM 0 HA ARG A 460 1.986 -5.712 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.654 -5.783 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 460 0.100 -7.386 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 460 2.458 -8.187 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 460 3.000 -6.586 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 460 2.905 -7.727 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 460 1.404 -6.823 8.896 1.00 0.00 H new ATOM 0 HE ARG A 460 1.719 -9.749 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.423 -6.944 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.892 -7.915 8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -0.175 -10.973 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -1.752 -10.179 8.782 1.00 0.00 H new ATOM 152 N ARG A 461 0.192 -8.241 3.638 1.00 0.00 N ATOM 153 CA ARG A 461 0.243 -9.472 2.857 1.00 0.00 C ATOM 154 C ARG A 461 0.994 -9.258 1.547 1.00 0.00 C ATOM 155 O ARG A 461 1.791 -10.100 1.132 1.00 0.00 O ATOM 156 CB ARG A 461 -1.172 -9.978 2.570 1.00 0.00 C ATOM 157 CG ARG A 461 -1.939 -10.381 3.819 1.00 0.00 C ATOM 158 CD ARG A 461 -3.300 -10.962 3.472 1.00 0.00 C ATOM 159 NE ARG A 461 -3.190 -12.264 2.819 1.00 0.00 N ATOM 160 CZ ARG A 461 -4.203 -13.118 2.693 1.00 0.00 C ATOM 161 NH1 ARG A 461 -5.402 -12.812 3.173 1.00 0.00 N ATOM 162 NH2 ARG A 461 -4.017 -14.282 2.085 1.00 0.00 N ATOM 0 H ARG A 461 -0.751 -7.918 3.854 1.00 0.00 H new ATOM 0 HA ARG A 461 0.778 -10.220 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -1.728 -9.200 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.113 -10.834 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.361 -11.115 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.067 -9.513 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.894 -11.061 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.832 -10.272 2.817 1.00 0.00 H new ATOM 0 HE ARG A 461 -2.284 -12.535 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -5.551 -11.918 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -6.175 -13.471 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -3.098 -14.523 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -4.793 -14.937 1.988 1.00 0.00 H new ATOM 176 N TYR A 462 0.736 -8.127 0.899 1.00 0.00 N ATOM 177 CA TYR A 462 1.389 -7.804 -0.364 1.00 0.00 C ATOM 178 C TYR A 462 2.873 -7.524 -0.155 1.00 0.00 C ATOM 179 O TYR A 462 3.715 -7.964 -0.938 1.00 0.00 O ATOM 180 CB TYR A 462 0.716 -6.594 -1.016 1.00 0.00 C ATOM 181 CG TYR A 462 -0.727 -6.835 -1.395 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.055 -7.497 -2.572 1.00 0.00 C ATOM 183 CD2 TYR A 462 -1.762 -6.401 -0.577 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.374 -7.719 -2.922 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.083 -6.619 -0.920 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.383 -7.279 -2.093 1.00 0.00 C ATOM 187 OH TYR A 462 -4.697 -7.498 -2.438 1.00 0.00 O ATOM 0 H TYR A 462 0.079 -7.419 1.228 1.00 0.00 H new ATOM 0 HA TYR A 462 1.291 -8.665 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.766 -5.748 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 462 1.276 -6.315 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.267 -7.844 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -1.531 -5.884 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -2.612 -8.235 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -3.876 -6.274 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.283 -7.127 -1.746 1.00 0.00 H new ATOM 197 N LEU A 463 3.188 -6.790 0.908 1.00 0.00 N ATOM 198 CA LEU A 463 4.571 -6.452 1.221 1.00 0.00 C ATOM 199 C LEU A 463 5.366 -7.700 1.590 1.00 0.00 C ATOM 200 O LEU A 463 6.548 -7.815 1.263 1.00 0.00 O ATOM 201 CB LEU A 463 4.624 -5.442 2.369 1.00 0.00 C ATOM 202 CG LEU A 463 3.895 -4.124 2.104 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.812 -3.295 3.377 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.593 -3.341 1.002 1.00 0.00 C ATOM 0 H LEU A 463 2.504 -6.418 1.567 1.00 0.00 H new ATOM 0 HA LEU A 463 5.020 -6.007 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 463 4.197 -5.904 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.668 -5.224 2.593 1.00 0.00 H new ATOM 0 HG LEU A 463 2.881 -4.352 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.290 -2.361 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 463 3.268 -3.853 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.818 -3.077 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.061 -2.406 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.618 -3.124 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.601 -3.931 0.086 1.00 0.00 H new ATOM 216 N THR A 464 4.711 -8.632 2.274 1.00 0.00 N ATOM 217 CA THR A 464 5.355 -9.871 2.688 1.00 0.00 C ATOM 218 C THR A 464 5.714 -10.729 1.479 1.00 0.00 C ATOM 219 O THR A 464 6.719 -11.440 1.487 1.00 0.00 O ATOM 220 CB THR A 464 4.438 -10.652 3.629 1.00 0.00 C ATOM 221 OG1 THR A 464 3.085 -10.530 3.228 1.00 0.00 O ATOM 222 CG2 THR A 464 4.533 -10.199 5.070 1.00 0.00 C ATOM 0 H THR A 464 3.733 -8.552 2.553 1.00 0.00 H new ATOM 0 HA THR A 464 6.275 -9.617 3.214 1.00 0.00 H new ATOM 0 HB THR A 464 4.776 -11.687 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 464 3.028 -10.575 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.857 -10.794 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 464 5.555 -10.329 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 464 4.255 -9.147 5.140 1.00 0.00 H new ATOM 230 N ARG A 465 4.886 -10.658 0.443 1.00 0.00 N ATOM 231 CA ARG A 465 5.117 -11.429 -0.773 1.00 0.00 C ATOM 232 C ARG A 465 6.112 -10.724 -1.685 1.00 0.00 C ATOM 233 O ARG A 465 7.160 -11.273 -2.025 1.00 0.00 O ATOM 234 CB ARG A 465 3.799 -11.657 -1.516 1.00 0.00 C ATOM 235 CG ARG A 465 2.807 -12.513 -0.747 1.00 0.00 C ATOM 236 CD ARG A 465 1.560 -12.797 -1.569 1.00 0.00 C ATOM 237 NE ARG A 465 0.516 -13.440 -0.776 1.00 0.00 N ATOM 238 CZ ARG A 465 -0.645 -13.858 -1.276 1.00 0.00 C ATOM 239 NH1 ARG A 465 -0.913 -13.702 -2.567 1.00 0.00 N ATOM 240 NH2 ARG A 465 -1.540 -14.433 -0.485 1.00 0.00 N ATOM 0 H ARG A 465 4.049 -10.075 0.421 1.00 0.00 H new ATOM 0 HA ARG A 465 5.536 -12.393 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 465 3.342 -10.691 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 465 4.009 -12.132 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 465 3.279 -13.454 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 465 2.527 -12.006 0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 465 1.178 -11.864 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.820 -13.436 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 465 0.686 -13.577 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -0.228 -13.260 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -1.804 -14.024 -2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.339 -14.555 0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -2.429 -14.753 -0.869 1.00 0.00 H new ATOM 254 N LYS A 466 5.775 -9.503 -2.075 1.00 0.00 N ATOM 255 CA LYS A 466 6.634 -8.712 -2.949 1.00 0.00 C ATOM 256 C LYS A 466 6.535 -7.226 -2.608 1.00 0.00 C ATOM 257 O LYS A 466 5.445 -6.713 -2.350 1.00 0.00 O ATOM 258 CB LYS A 466 6.251 -8.938 -4.413 1.00 0.00 C ATOM 259 CG LYS A 466 7.114 -8.164 -5.396 1.00 0.00 C ATOM 260 CD LYS A 466 8.343 -8.959 -5.804 1.00 0.00 C ATOM 261 CE LYS A 466 8.104 -9.735 -7.089 1.00 0.00 C ATOM 262 NZ LYS A 466 8.767 -11.068 -7.065 1.00 0.00 N ATOM 0 H LYS A 466 4.911 -9.036 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 466 7.664 -9.034 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 466 6.324 -10.002 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 466 5.209 -8.653 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 466 6.528 -7.918 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 466 7.423 -7.220 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 466 9.187 -8.282 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 466 8.612 -9.650 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 466 7.032 -9.865 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 466 8.478 -9.159 -7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 8.580 -11.565 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 9.793 -10.943 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 8.392 -11.628 -6.273 1.00 0.00 H new ATOM 276 N PRO A 467 7.674 -6.509 -2.603 1.00 0.00 N ATOM 277 CA PRO A 467 7.700 -5.076 -2.292 1.00 0.00 C ATOM 278 C PRO A 467 6.977 -4.244 -3.346 1.00 0.00 C ATOM 279 O PRO A 467 7.160 -4.449 -4.546 1.00 0.00 O ATOM 280 CB PRO A 467 9.194 -4.736 -2.275 1.00 0.00 C ATOM 281 CG PRO A 467 9.835 -5.790 -3.109 1.00 0.00 C ATOM 282 CD PRO A 467 9.019 -7.034 -2.900 1.00 0.00 C ATOM 0 HA PRO A 467 7.192 -4.855 -1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.378 -3.742 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.589 -4.741 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 467 9.847 -5.503 -4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.871 -5.948 -2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.017 -7.668 -3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.407 -7.636 -2.078 1.00 0.00 H new ATOM 290 N MET A 468 6.155 -3.305 -2.890 1.00 0.00 N ATOM 291 CA MET A 468 5.403 -2.443 -3.795 1.00 0.00 C ATOM 292 C MET A 468 5.489 -0.985 -3.356 1.00 0.00 C ATOM 293 O MET A 468 5.780 -0.691 -2.196 1.00 0.00 O ATOM 294 CB MET A 468 3.940 -2.885 -3.853 1.00 0.00 C ATOM 295 CG MET A 468 3.754 -4.307 -4.356 1.00 0.00 C ATOM 296 SD MET A 468 2.018 -4.753 -4.550 1.00 0.00 S ATOM 297 CE MET A 468 1.582 -3.797 -6.000 1.00 0.00 C ATOM 0 H MET A 468 5.993 -3.121 -1.900 1.00 0.00 H new ATOM 0 HA MET A 468 5.842 -2.530 -4.789 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.504 -2.801 -2.858 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.389 -2.204 -4.501 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.263 -4.419 -5.313 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.227 -4.999 -3.660 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.555 -4.022 -6.289 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.672 -2.734 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.253 -4.053 -6.820 1.00 0.00 H new ATOM 307 N THR A 469 5.232 -0.075 -4.290 1.00 0.00 N ATOM 308 CA THR A 469 5.278 1.353 -3.998 1.00 0.00 C ATOM 309 C THR A 469 3.871 1.912 -3.807 1.00 0.00 C ATOM 310 O THR A 469 2.886 1.283 -4.190 1.00 0.00 O ATOM 311 CB THR A 469 5.990 2.104 -5.125 1.00 0.00 C ATOM 312 OG1 THR A 469 5.808 3.502 -4.989 1.00 0.00 O ATOM 313 CG2 THR A 469 5.511 1.710 -6.505 1.00 0.00 C ATOM 0 H THR A 469 4.990 -0.301 -5.255 1.00 0.00 H new ATOM 0 HA THR A 469 5.835 1.492 -3.072 1.00 0.00 H new ATOM 0 HB THR A 469 7.041 1.832 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.272 3.965 -5.718 1.00 0.00 H new ATOM 0 HG21 THR A 469 6.057 2.280 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 469 5.685 0.645 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 469 4.445 1.920 -6.594 1.00 0.00 H new ATOM 321 N THR A 470 3.786 3.097 -3.211 1.00 0.00 N ATOM 322 CA THR A 470 2.499 3.741 -2.966 1.00 0.00 C ATOM 323 C THR A 470 1.700 3.883 -4.258 1.00 0.00 C ATOM 324 O THR A 470 0.497 3.624 -4.287 1.00 0.00 O ATOM 325 CB THR A 470 2.707 5.116 -2.330 1.00 0.00 C ATOM 326 OG1 THR A 470 3.645 5.875 -3.072 1.00 0.00 O ATOM 327 CG2 THR A 470 3.200 5.046 -0.900 1.00 0.00 C ATOM 0 H THR A 470 4.593 3.631 -2.888 1.00 0.00 H new ATOM 0 HA THR A 470 1.933 3.110 -2.280 1.00 0.00 H new ATOM 0 HB THR A 470 1.725 5.588 -2.335 1.00 0.00 H new ATOM 0 HG1 THR A 470 3.763 6.752 -2.650 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.327 6.056 -0.509 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.473 4.509 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.156 4.523 -0.870 1.00 0.00 H new ATOM 335 N LYS A 471 2.377 4.295 -5.324 1.00 0.00 N ATOM 336 CA LYS A 471 1.729 4.471 -6.619 1.00 0.00 C ATOM 337 C LYS A 471 1.120 3.160 -7.107 1.00 0.00 C ATOM 338 O LYS A 471 -0.001 3.135 -7.614 1.00 0.00 O ATOM 339 CB LYS A 471 2.733 4.994 -7.648 1.00 0.00 C ATOM 340 CG LYS A 471 2.115 5.291 -9.004 1.00 0.00 C ATOM 341 CD LYS A 471 1.299 6.573 -8.976 1.00 0.00 C ATOM 342 CE LYS A 471 0.733 6.903 -10.348 1.00 0.00 C ATOM 343 NZ LYS A 471 -0.010 8.193 -10.346 1.00 0.00 N ATOM 0 H LYS A 471 3.373 4.513 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 471 0.928 5.200 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.196 5.902 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.528 4.259 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.902 5.376 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.478 4.459 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 471 0.484 6.471 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 471 1.925 7.396 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.545 6.953 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 471 0.068 6.101 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -0.380 8.382 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -0.801 8.137 -9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 0.631 8.962 -10.065 1.00 0.00 H new ATOM 357 N ASP A 472 1.869 2.072 -6.953 1.00 0.00 N ATOM 358 CA ASP A 472 1.404 0.757 -7.379 1.00 0.00 C ATOM 359 C ASP A 472 0.198 0.310 -6.560 1.00 0.00 C ATOM 360 O ASP A 472 -0.715 -0.331 -7.080 1.00 0.00 O ATOM 361 CB ASP A 472 2.530 -0.271 -7.253 1.00 0.00 C ATOM 362 CG ASP A 472 2.204 -1.578 -7.949 1.00 0.00 C ATOM 363 OD1 ASP A 472 1.047 -1.745 -8.389 1.00 0.00 O ATOM 364 OD2 ASP A 472 3.106 -2.436 -8.052 1.00 0.00 O ATOM 0 H ASP A 472 2.800 2.076 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 472 1.102 0.830 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.445 0.144 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.725 -0.464 -6.198 1.00 0.00 H new ATOM 369 N LEU A 473 0.202 0.652 -5.277 1.00 0.00 N ATOM 370 CA LEU A 473 -0.892 0.285 -4.384 1.00 0.00 C ATOM 371 C LEU A 473 -2.212 0.881 -4.862 1.00 0.00 C ATOM 372 O LEU A 473 -3.250 0.222 -4.827 1.00 0.00 O ATOM 373 CB LEU A 473 -0.595 0.755 -2.959 1.00 0.00 C ATOM 374 CG LEU A 473 0.567 0.039 -2.270 1.00 0.00 C ATOM 375 CD1 LEU A 473 0.754 0.564 -0.855 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.331 -1.464 -2.255 1.00 0.00 C ATOM 0 H LEU A 473 0.950 1.183 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.982 -0.801 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.381 1.823 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.493 0.623 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 473 1.478 0.240 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.585 0.043 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.967 1.632 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.156 0.394 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.167 -1.959 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.590 -1.682 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.247 -1.829 -3.278 1.00 0.00 H new ATOM 388 N LEU A 474 -2.164 2.133 -5.306 1.00 0.00 N ATOM 389 CA LEU A 474 -3.357 2.819 -5.790 1.00 0.00 C ATOM 390 C LEU A 474 -4.013 2.041 -6.927 1.00 0.00 C ATOM 391 O LEU A 474 -5.214 1.777 -6.899 1.00 0.00 O ATOM 392 CB LEU A 474 -3.002 4.231 -6.261 1.00 0.00 C ATOM 393 CG LEU A 474 -2.361 5.126 -5.199 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.117 6.521 -5.754 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.236 5.189 -3.957 1.00 0.00 C ATOM 0 H LEU A 474 -1.312 2.693 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.066 2.885 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.321 4.154 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.909 4.715 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.399 4.695 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.661 7.144 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.450 6.459 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.065 6.961 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.765 5.830 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.212 5.596 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.359 4.186 -3.547 1.00 0.00 H new ATOM 407 N LYS A 475 -3.215 1.677 -7.925 1.00 0.00 N ATOM 408 CA LYS A 475 -3.718 0.929 -9.072 1.00 0.00 C ATOM 409 C LYS A 475 -4.261 -0.429 -8.640 1.00 0.00 C ATOM 410 O LYS A 475 -5.267 -0.903 -9.168 1.00 0.00 O ATOM 411 CB LYS A 475 -2.610 0.742 -10.110 1.00 0.00 C ATOM 412 CG LYS A 475 -3.086 0.087 -11.396 1.00 0.00 C ATOM 413 CD LYS A 475 -1.938 -0.133 -12.367 1.00 0.00 C ATOM 414 CE LYS A 475 -2.434 -0.640 -13.712 1.00 0.00 C ATOM 415 NZ LYS A 475 -1.370 -0.589 -14.752 1.00 0.00 N ATOM 0 H LYS A 475 -2.218 1.888 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.532 1.500 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.177 1.714 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.815 0.136 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.558 -0.868 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.846 0.713 -11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.395 0.802 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.235 -0.850 -11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.788 -1.665 -13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -3.285 -0.041 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.749 -0.943 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.049 0.393 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.568 -1.181 -14.457 1.00 0.00 H new ATOM 429 N LYS A 476 -3.588 -1.050 -7.677 1.00 0.00 N ATOM 430 CA LYS A 476 -4.001 -2.355 -7.174 1.00 0.00 C ATOM 431 C LYS A 476 -5.407 -2.295 -6.585 1.00 0.00 C ATOM 432 O LYS A 476 -6.197 -3.226 -6.743 1.00 0.00 O ATOM 433 CB LYS A 476 -3.014 -2.852 -6.116 1.00 0.00 C ATOM 434 CG LYS A 476 -3.276 -4.279 -5.662 1.00 0.00 C ATOM 435 CD LYS A 476 -2.852 -5.286 -6.718 1.00 0.00 C ATOM 436 CE LYS A 476 -3.018 -6.714 -6.225 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.313 -7.690 -7.101 1.00 0.00 N ATOM 0 H LYS A 476 -2.754 -0.670 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.009 -3.052 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.002 -2.787 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.058 -2.190 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.735 -4.472 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.337 -4.404 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.446 -5.140 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.811 -5.113 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.632 -6.794 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.078 -6.963 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.451 -8.652 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -2.698 -7.632 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.297 -7.469 -7.120 1.00 0.00 H new ATOM 451 N PHE A 477 -5.713 -1.196 -5.903 1.00 0.00 N ATOM 452 CA PHE A 477 -7.024 -1.018 -5.289 1.00 0.00 C ATOM 453 C PHE A 477 -7.909 -0.110 -6.137 1.00 0.00 C ATOM 454 O PHE A 477 -8.773 0.594 -5.615 1.00 0.00 O ATOM 455 CB PHE A 477 -6.876 -0.435 -3.882 1.00 0.00 C ATOM 456 CG PHE A 477 -6.235 -1.379 -2.905 1.00 0.00 C ATOM 457 CD1 PHE A 477 -6.962 -2.420 -2.350 1.00 0.00 C ATOM 458 CD2 PHE A 477 -4.907 -1.224 -2.542 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.375 -3.290 -1.451 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.315 -2.091 -1.643 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.050 -3.126 -1.097 1.00 0.00 C ATOM 0 H PHE A 477 -5.071 -0.416 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.500 -1.996 -5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.282 0.477 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.861 -0.153 -3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -7.998 -2.553 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.328 -0.417 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -6.952 -4.098 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.279 -1.960 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.589 -3.805 -0.395 1.00 0.00 H new ATOM 471 N GLN A 478 -7.688 -0.131 -7.448 1.00 0.00 N ATOM 472 CA GLN A 478 -8.468 0.692 -8.366 1.00 0.00 C ATOM 473 C GLN A 478 -9.389 -0.169 -9.224 1.00 0.00 C ATOM 474 O GLN A 478 -8.981 -1.209 -9.742 1.00 0.00 O ATOM 475 CB GLN A 478 -7.538 1.514 -9.262 1.00 0.00 C ATOM 476 CG GLN A 478 -7.249 2.906 -8.722 1.00 0.00 C ATOM 477 CD GLN A 478 -8.417 3.855 -8.903 1.00 0.00 C ATOM 478 OE1 GLN A 478 -9.004 3.939 -9.982 1.00 0.00 O ATOM 479 NE2 GLN A 478 -8.761 4.578 -7.843 1.00 0.00 N ATOM 0 H GLN A 478 -6.977 -0.708 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.083 1.369 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.597 0.978 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.985 1.603 -10.252 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.003 2.837 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -6.373 3.313 -9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -8.247 4.477 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -9.539 5.235 -7.904 1.00 0.00 H new ATOM 488 N THR A 479 -10.635 0.272 -9.371 1.00 0.00 N ATOM 489 CA THR A 479 -11.620 -0.453 -10.167 1.00 0.00 C ATOM 490 C THR A 479 -11.757 -1.897 -9.694 1.00 0.00 C ATOM 491 O THR A 479 -12.057 -2.793 -10.483 1.00 0.00 O ATOM 492 CB THR A 479 -11.233 -0.425 -11.647 1.00 0.00 C ATOM 493 OG1 THR A 479 -10.183 -1.338 -11.909 1.00 0.00 O ATOM 494 CG2 THR A 479 -10.784 0.940 -12.123 1.00 0.00 C ATOM 0 H THR A 479 -10.987 1.131 -8.948 1.00 0.00 H new ATOM 0 HA THR A 479 -12.582 0.042 -10.039 1.00 0.00 H new ATOM 0 HB THR A 479 -12.139 -0.700 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 479 -9.387 -1.075 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 479 -10.524 0.889 -13.180 1.00 0.00 H new ATOM 0 HG22 THR A 479 -11.591 1.658 -11.982 1.00 0.00 H new ATOM 0 HG23 THR A 479 -9.912 1.257 -11.550 1.00 0.00 H new ATOM 502 N LYS A 480 -11.535 -2.117 -8.402 1.00 0.00 N ATOM 503 CA LYS A 480 -11.635 -3.453 -7.827 1.00 0.00 C ATOM 504 C LYS A 480 -12.905 -3.595 -6.994 1.00 0.00 C ATOM 505 O LYS A 480 -13.635 -4.579 -7.120 1.00 0.00 O ATOM 506 CB LYS A 480 -10.409 -3.756 -6.964 1.00 0.00 C ATOM 507 CG LYS A 480 -9.136 -3.961 -7.769 1.00 0.00 C ATOM 508 CD LYS A 480 -8.282 -5.077 -7.187 1.00 0.00 C ATOM 509 CE LYS A 480 -8.843 -6.446 -7.536 1.00 0.00 C ATOM 510 NZ LYS A 480 -8.689 -7.412 -6.414 1.00 0.00 N ATOM 0 H LYS A 480 -11.285 -1.388 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.678 -4.169 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.257 -2.936 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -10.603 -4.651 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -9.392 -4.198 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -8.562 -3.034 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -7.263 -4.993 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -8.229 -4.969 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -9.898 -6.351 -7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -8.335 -6.832 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.084 -8.333 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -7.680 -7.522 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -9.195 -7.057 -5.578 1.00 0.00 H new ATOM 524 N LYS A 481 -13.164 -2.607 -6.144 1.00 0.00 N ATOM 525 CA LYS A 481 -14.347 -2.624 -5.292 1.00 0.00 C ATOM 526 C LYS A 481 -14.565 -1.266 -4.633 1.00 0.00 C ATOM 527 O LYS A 481 -15.689 -0.769 -4.568 1.00 0.00 O ATOM 528 CB LYS A 481 -14.214 -3.708 -4.220 1.00 0.00 C ATOM 529 CG LYS A 481 -15.509 -3.988 -3.475 1.00 0.00 C ATOM 530 CD LYS A 481 -15.262 -4.809 -2.219 1.00 0.00 C ATOM 531 CE LYS A 481 -14.887 -6.243 -2.556 1.00 0.00 C ATOM 532 NZ LYS A 481 -15.471 -7.212 -1.588 1.00 0.00 N ATOM 0 H LYS A 481 -12.571 -1.785 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.211 -2.846 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -13.867 -4.629 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -13.450 -3.407 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -15.987 -3.046 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.199 -4.521 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -14.464 -4.351 -1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -16.157 -4.802 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -15.233 -6.482 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.802 -6.343 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -15.192 -8.178 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -15.122 -7.001 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.508 -7.135 -1.603 1.00 0.00 H new ATOM 546 N THR A 482 -13.482 -0.670 -4.144 1.00 0.00 N ATOM 547 CA THR A 482 -13.556 0.631 -3.489 1.00 0.00 C ATOM 548 C THR A 482 -14.006 1.709 -4.469 1.00 0.00 C ATOM 549 O THR A 482 -13.528 1.770 -5.602 1.00 0.00 O ATOM 550 CB THR A 482 -12.198 1.002 -2.891 1.00 0.00 C ATOM 551 OG1 THR A 482 -11.231 1.174 -3.912 1.00 0.00 O ATOM 552 CG2 THR A 482 -11.666 -0.033 -1.924 1.00 0.00 C ATOM 0 H THR A 482 -12.544 -1.067 -4.189 1.00 0.00 H new ATOM 0 HA THR A 482 -14.292 0.565 -2.688 1.00 0.00 H new ATOM 0 HB THR A 482 -12.367 1.931 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.370 1.412 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.700 0.293 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.366 -0.153 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.547 -0.986 -2.440 1.00 0.00 H new ATOM 560 N GLY A 483 -14.928 2.557 -4.026 1.00 0.00 N ATOM 561 CA GLY A 483 -15.427 3.622 -4.876 1.00 0.00 C ATOM 562 C GLY A 483 -15.094 5.000 -4.337 1.00 0.00 C ATOM 563 O GLY A 483 -15.812 5.965 -4.595 1.00 0.00 O ATOM 0 H GLY A 483 -15.339 2.526 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.004 3.514 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -16.508 3.526 -4.976 1.00 0.00 H new ATOM 567 N LEU A 484 -14.001 5.090 -3.585 1.00 0.00 N ATOM 568 CA LEU A 484 -13.574 6.359 -3.008 1.00 0.00 C ATOM 569 C LEU A 484 -12.686 7.128 -3.981 1.00 0.00 C ATOM 570 O LEU A 484 -11.982 6.534 -4.797 1.00 0.00 O ATOM 571 CB LEU A 484 -12.824 6.120 -1.696 1.00 0.00 C ATOM 572 CG LEU A 484 -13.590 5.308 -0.650 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.784 5.197 0.634 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.947 5.939 -0.377 1.00 0.00 C ATOM 0 H LEU A 484 -13.396 4.300 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.464 6.955 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -11.889 5.607 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.563 7.086 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 484 -13.750 4.304 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.345 4.616 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.836 4.701 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.593 6.194 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.479 5.349 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.808 6.954 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.528 5.966 -1.299 1.00 0.00 H new ATOM 586 N SER A 485 -12.725 8.454 -3.889 1.00 0.00 N ATOM 587 CA SER A 485 -11.924 9.305 -4.762 1.00 0.00 C ATOM 588 C SER A 485 -10.438 8.999 -4.606 1.00 0.00 C ATOM 589 O SER A 485 -9.998 8.528 -3.557 1.00 0.00 O ATOM 590 CB SER A 485 -12.189 10.779 -4.454 1.00 0.00 C ATOM 591 OG SER A 485 -13.566 11.089 -4.580 1.00 0.00 O ATOM 0 H SER A 485 -13.302 8.962 -3.219 1.00 0.00 H new ATOM 0 HA SER A 485 -12.212 9.099 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.853 11.008 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 485 -11.609 11.405 -5.132 1.00 0.00 H new ATOM 0 HG SER A 485 -13.708 12.037 -4.376 1.00 0.00 H new ATOM 597 N SER A 486 -9.670 9.269 -5.656 1.00 0.00 N ATOM 598 CA SER A 486 -8.233 9.022 -5.636 1.00 0.00 C ATOM 599 C SER A 486 -7.560 9.809 -4.516 1.00 0.00 C ATOM 600 O SER A 486 -6.653 9.308 -3.850 1.00 0.00 O ATOM 601 CB SER A 486 -7.611 9.396 -6.982 1.00 0.00 C ATOM 602 OG SER A 486 -8.257 8.722 -8.048 1.00 0.00 O ATOM 0 H SER A 486 -10.019 9.659 -6.532 1.00 0.00 H new ATOM 0 HA SER A 486 -8.076 7.959 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 486 -7.683 10.473 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.550 9.145 -6.978 1.00 0.00 H new ATOM 0 HG SER A 486 -7.842 8.980 -8.897 1.00 0.00 H new ATOM 608 N GLU A 487 -8.010 11.042 -4.312 1.00 0.00 N ATOM 609 CA GLU A 487 -7.451 11.898 -3.272 1.00 0.00 C ATOM 610 C GLU A 487 -7.730 11.324 -1.887 1.00 0.00 C ATOM 611 O GLU A 487 -6.859 11.325 -1.017 1.00 0.00 O ATOM 612 CB GLU A 487 -8.031 13.310 -3.378 1.00 0.00 C ATOM 613 CG GLU A 487 -7.400 14.300 -2.413 1.00 0.00 C ATOM 614 CD GLU A 487 -8.055 15.668 -2.465 1.00 0.00 C ATOM 615 OE1 GLU A 487 -9.032 15.831 -3.226 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.591 16.575 -1.743 1.00 0.00 O ATOM 0 H GLU A 487 -8.760 11.471 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.372 11.944 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -7.898 13.673 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.104 13.268 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.469 13.907 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -6.340 14.401 -2.644 1.00 0.00 H new ATOM 623 N GLN A 488 -8.949 10.833 -1.690 1.00 0.00 N ATOM 624 CA GLN A 488 -9.343 10.256 -0.410 1.00 0.00 C ATOM 625 C GLN A 488 -8.537 8.996 -0.110 1.00 0.00 C ATOM 626 O GLN A 488 -8.163 8.744 1.036 1.00 0.00 O ATOM 627 CB GLN A 488 -10.837 9.930 -0.412 1.00 0.00 C ATOM 628 CG GLN A 488 -11.725 11.150 -0.597 1.00 0.00 C ATOM 629 CD GLN A 488 -11.520 12.190 0.486 1.00 0.00 C ATOM 630 OE1 GLN A 488 -11.540 11.876 1.676 1.00 0.00 O ATOM 631 NE2 GLN A 488 -11.323 13.439 0.078 1.00 0.00 N ATOM 0 H GLN A 488 -9.681 10.823 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.139 10.991 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.044 9.216 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.095 9.442 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.522 11.599 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.769 10.837 -0.602 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -11.314 13.654 -0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -11.181 14.182 0.762 1.00 0.00 H new ATOM 640 N THR A 489 -8.273 8.207 -1.147 1.00 0.00 N ATOM 641 CA THR A 489 -7.512 6.973 -0.994 1.00 0.00 C ATOM 642 C THR A 489 -6.117 7.257 -0.447 1.00 0.00 C ATOM 643 O THR A 489 -5.611 6.522 0.401 1.00 0.00 O ATOM 644 CB THR A 489 -7.408 6.245 -2.335 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.694 6.028 -2.890 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.719 4.901 -2.235 1.00 0.00 C ATOM 0 H THR A 489 -8.575 8.401 -2.102 1.00 0.00 H new ATOM 0 HA THR A 489 -8.038 6.337 -0.282 1.00 0.00 H new ATOM 0 HB THR A 489 -6.808 6.896 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.069 6.882 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.679 4.438 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.706 5.039 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.275 4.257 -1.554 1.00 0.00 H new ATOM 654 N VAL A 490 -5.501 8.327 -0.939 1.00 0.00 N ATOM 655 CA VAL A 490 -4.164 8.707 -0.500 1.00 0.00 C ATOM 656 C VAL A 490 -4.151 9.053 0.986 1.00 0.00 C ATOM 657 O VAL A 490 -3.238 8.666 1.715 1.00 0.00 O ATOM 658 CB VAL A 490 -3.631 9.911 -1.300 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.184 10.201 -0.933 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.770 9.661 -2.795 1.00 0.00 C ATOM 0 H VAL A 490 -5.906 8.946 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.517 7.848 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.227 10.786 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.827 11.055 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.117 10.427 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.570 9.329 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.389 10.521 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.200 8.773 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.821 9.509 -3.042 1.00 0.00 H new ATOM 670 N ASN A 491 -5.170 9.784 1.427 1.00 0.00 N ATOM 671 CA ASN A 491 -5.275 10.182 2.826 1.00 0.00 C ATOM 672 C ASN A 491 -5.313 8.962 3.740 1.00 0.00 C ATOM 673 O ASN A 491 -4.646 8.927 4.774 1.00 0.00 O ATOM 674 CB ASN A 491 -6.527 11.034 3.042 1.00 0.00 C ATOM 675 CG ASN A 491 -6.542 11.706 4.401 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.535 11.724 5.109 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.689 12.263 4.773 1.00 0.00 N ATOM 0 H ASN A 491 -5.934 10.112 0.836 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.393 10.772 3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.584 11.794 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.412 10.406 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.760 12.729 5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.499 12.224 4.154 1.00 0.00 H new ATOM 684 N VAL A 492 -6.098 7.962 3.352 1.00 0.00 N ATOM 685 CA VAL A 492 -6.222 6.740 4.138 1.00 0.00 C ATOM 686 C VAL A 492 -4.934 5.924 4.090 1.00 0.00 C ATOM 687 O VAL A 492 -4.469 5.419 5.112 1.00 0.00 O ATOM 688 CB VAL A 492 -7.389 5.866 3.639 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.586 4.662 4.548 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.667 6.686 3.545 1.00 0.00 C ATOM 0 H VAL A 492 -6.657 7.974 2.499 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.420 7.044 5.166 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.143 5.501 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.415 4.058 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.676 4.062 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.808 5.002 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.480 6.053 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.918 7.083 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.520 7.511 2.848 1.00 0.00 H new ATOM 700 N LEU A 493 -4.362 5.799 2.897 1.00 0.00 N ATOM 701 CA LEU A 493 -3.128 5.044 2.716 1.00 0.00 C ATOM 702 C LEU A 493 -1.979 5.682 3.490 1.00 0.00 C ATOM 703 O LEU A 493 -1.162 4.987 4.094 1.00 0.00 O ATOM 704 CB LEU A 493 -2.772 4.958 1.231 1.00 0.00 C ATOM 705 CG LEU A 493 -3.481 3.845 0.459 1.00 0.00 C ATOM 706 CD1 LEU A 493 -3.579 4.198 -1.017 1.00 0.00 C ATOM 707 CD2 LEU A 493 -2.753 2.522 0.645 1.00 0.00 C ATOM 0 H LEU A 493 -4.734 6.211 2.041 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.288 4.038 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.008 5.913 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.695 4.814 1.139 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.491 3.741 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -4.086 3.394 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -4.143 5.123 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.578 4.330 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.271 1.740 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -1.731 2.614 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.734 2.263 1.704 1.00 0.00 H new ATOM 719 N ALA A 494 -1.919 7.009 3.465 1.00 0.00 N ATOM 720 CA ALA A 494 -0.867 7.739 4.163 1.00 0.00 C ATOM 721 C ALA A 494 -0.955 7.526 5.669 1.00 0.00 C ATOM 722 O ALA A 494 0.059 7.343 6.341 1.00 0.00 O ATOM 723 CB ALA A 494 -0.945 9.222 3.832 1.00 0.00 C ATOM 0 H ALA A 494 -2.586 7.601 2.969 1.00 0.00 H new ATOM 0 HA ALA A 494 0.094 7.352 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.154 9.755 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.823 9.362 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.914 9.613 4.141 1.00 0.00 H new ATOM 729 N GLN A 495 -2.174 7.555 6.192 1.00 0.00 N ATOM 730 CA GLN A 495 -2.398 7.367 7.621 1.00 0.00 C ATOM 731 C GLN A 495 -2.194 5.910 8.023 1.00 0.00 C ATOM 732 O GLN A 495 -1.621 5.620 9.073 1.00 0.00 O ATOM 733 CB GLN A 495 -3.810 7.819 8.000 1.00 0.00 C ATOM 734 CG GLN A 495 -4.042 9.309 7.811 1.00 0.00 C ATOM 735 CD GLN A 495 -3.132 10.156 8.679 1.00 0.00 C ATOM 736 OE1 GLN A 495 -3.230 10.134 9.906 1.00 0.00 O ATOM 737 NE2 GLN A 495 -2.239 10.907 8.045 1.00 0.00 N ATOM 0 H GLN A 495 -3.024 7.707 5.648 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.670 7.975 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.533 7.268 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.998 7.559 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.883 9.568 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -5.081 9.543 8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.193 10.894 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.599 11.497 8.577 1.00 0.00 H new ATOM 746 N ILE A 496 -2.670 4.996 7.183 1.00 0.00 N ATOM 747 CA ILE A 496 -2.543 3.569 7.455 1.00 0.00 C ATOM 748 C ILE A 496 -1.103 3.097 7.268 1.00 0.00 C ATOM 749 O ILE A 496 -0.569 2.352 8.090 1.00 0.00 O ATOM 750 CB ILE A 496 -3.490 2.744 6.550 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.921 1.461 7.261 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.844 2.418 5.208 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.339 1.040 6.942 1.00 0.00 C ATOM 0 H ILE A 496 -3.147 5.218 6.309 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.827 3.410 8.495 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.372 3.353 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.241 0.656 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.826 1.602 8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.539 1.838 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.595 3.344 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.936 1.838 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.576 0.123 7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.029 1.828 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.435 0.866 5.870 1.00 0.00 H new ATOM 765 N LEU A 497 -0.488 3.535 6.178 1.00 0.00 N ATOM 766 CA LEU A 497 0.888 3.160 5.869 1.00 0.00 C ATOM 767 C LEU A 497 1.849 3.655 6.946 1.00 0.00 C ATOM 768 O LEU A 497 2.762 2.937 7.352 1.00 0.00 O ATOM 769 CB LEU A 497 1.296 3.721 4.506 1.00 0.00 C ATOM 770 CG LEU A 497 0.617 3.058 3.306 1.00 0.00 C ATOM 771 CD1 LEU A 497 0.765 3.923 2.063 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.195 1.672 3.066 1.00 0.00 C ATOM 0 H LEU A 497 -0.920 4.152 5.490 1.00 0.00 H new ATOM 0 HA LEU A 497 0.941 2.072 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.073 4.788 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.376 3.619 4.396 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.446 2.954 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.276 3.435 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.302 4.894 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.823 4.060 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.701 1.215 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.264 1.753 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.036 1.053 3.949 1.00 0.00 H new ATOM 784 N LYS A 498 1.639 4.885 7.403 1.00 0.00 N ATOM 785 CA LYS A 498 2.491 5.471 8.432 1.00 0.00 C ATOM 786 C LYS A 498 2.446 4.645 9.714 1.00 0.00 C ATOM 787 O LYS A 498 3.474 4.415 10.351 1.00 0.00 O ATOM 788 CB LYS A 498 2.062 6.909 8.723 1.00 0.00 C ATOM 789 CG LYS A 498 2.455 7.893 7.633 1.00 0.00 C ATOM 790 CD LYS A 498 1.678 9.194 7.750 1.00 0.00 C ATOM 791 CE LYS A 498 2.112 9.993 8.968 1.00 0.00 C ATOM 792 NZ LYS A 498 3.218 10.938 8.648 1.00 0.00 N ATOM 0 H LYS A 498 0.888 5.494 7.078 1.00 0.00 H new ATOM 0 HA LYS A 498 3.515 5.474 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.980 6.937 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.506 7.228 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.523 8.099 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.273 7.446 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.827 9.790 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 498 0.612 8.978 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.260 10.550 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.434 9.310 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.485 11.463 9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 4.040 10.405 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 2.903 11.606 7.916 1.00 0.00 H new ATOM 806 N ARG A 499 1.250 4.200 10.085 1.00 0.00 N ATOM 807 CA ARG A 499 1.075 3.398 11.290 1.00 0.00 C ATOM 808 C ARG A 499 1.768 2.046 11.151 1.00 0.00 C ATOM 809 O ARG A 499 2.363 1.541 12.103 1.00 0.00 O ATOM 810 CB ARG A 499 -0.413 3.193 11.581 1.00 0.00 C ATOM 811 CG ARG A 499 -1.131 4.465 12.001 1.00 0.00 C ATOM 812 CD ARG A 499 -2.593 4.200 12.322 1.00 0.00 C ATOM 813 NE ARG A 499 -3.341 5.437 12.530 1.00 0.00 N ATOM 814 CZ ARG A 499 -4.644 5.479 12.802 1.00 0.00 C ATOM 815 NH1 ARG A 499 -5.345 4.357 12.899 1.00 0.00 N ATOM 816 NH2 ARG A 499 -5.247 6.647 12.976 1.00 0.00 N ATOM 0 H ARG A 499 0.389 4.381 9.569 1.00 0.00 H new ATOM 0 HA ARG A 499 1.530 3.936 12.122 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.897 2.789 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.521 2.447 12.369 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.637 4.891 12.874 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -1.061 5.204 11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.046 3.635 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.661 3.580 13.216 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.836 6.321 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.886 3.456 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -6.343 4.395 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.713 7.513 12.901 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -6.245 6.680 13.184 1.00 0.00 H new ATOM 830 N LEU A 500 1.687 1.466 9.958 1.00 0.00 N ATOM 831 CA LEU A 500 2.307 0.173 9.694 1.00 0.00 C ATOM 832 C LEU A 500 3.824 0.258 9.826 1.00 0.00 C ATOM 833 O LEU A 500 4.471 -0.678 10.295 1.00 0.00 O ATOM 834 CB LEU A 500 1.932 -0.320 8.295 1.00 0.00 C ATOM 835 CG LEU A 500 2.460 -1.710 7.934 1.00 0.00 C ATOM 836 CD1 LEU A 500 1.710 -2.783 8.708 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.344 -1.951 6.437 1.00 0.00 C ATOM 0 H LEU A 500 1.198 1.871 9.159 1.00 0.00 H new ATOM 0 HA LEU A 500 1.936 -0.536 10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 500 0.845 -0.327 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.306 0.395 7.562 1.00 0.00 H new ATOM 0 HG LEU A 500 3.513 -1.761 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 500 2.099 -3.765 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 500 1.844 -2.621 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.649 -2.733 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.724 -2.944 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.298 -1.881 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.926 -1.201 5.902 1.00 0.00 H new ATOM 849 N ASN A 501 4.385 1.388 9.408 1.00 0.00 N ATOM 850 CA ASN A 501 5.826 1.600 9.478 1.00 0.00 C ATOM 851 C ASN A 501 6.575 0.520 8.698 1.00 0.00 C ATOM 852 O ASN A 501 7.464 -0.143 9.233 1.00 0.00 O ATOM 853 CB ASN A 501 6.290 1.610 10.936 1.00 0.00 C ATOM 854 CG ASN A 501 7.769 1.916 11.071 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.234 2.979 10.660 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.517 0.983 11.648 1.00 0.00 N ATOM 0 H ASN A 501 3.863 2.172 9.017 1.00 0.00 H new ATOM 0 HA ASN A 501 6.049 2.567 9.027 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.716 2.352 11.492 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.080 0.641 11.388 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.519 1.133 11.765 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.090 0.116 11.974 1.00 0.00 H new ATOM 863 N PRO A 502 6.224 0.329 7.414 1.00 0.00 N ATOM 864 CA PRO A 502 6.866 -0.675 6.561 1.00 0.00 C ATOM 865 C PRO A 502 8.276 -0.269 6.148 1.00 0.00 C ATOM 866 O PRO A 502 8.569 0.916 5.984 1.00 0.00 O ATOM 867 CB PRO A 502 5.948 -0.737 5.340 1.00 0.00 C ATOM 868 CG PRO A 502 5.323 0.613 5.271 1.00 0.00 C ATOM 869 CD PRO A 502 5.173 1.076 6.695 1.00 0.00 C ATOM 0 HA PRO A 502 6.985 -1.630 7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.509 -0.961 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.195 -1.517 5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.946 1.302 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.355 0.570 4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.314 2.153 6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.181 0.851 7.088 1.00 0.00 H new ATOM 877 N GLU A 503 9.147 -1.259 5.979 1.00 0.00 N ATOM 878 CA GLU A 503 10.527 -1.003 5.583 1.00 0.00 C ATOM 879 C GLU A 503 10.581 -0.285 4.238 1.00 0.00 C ATOM 880 O GLU A 503 9.731 -0.500 3.374 1.00 0.00 O ATOM 881 CB GLU A 503 11.309 -2.316 5.505 1.00 0.00 C ATOM 882 CG GLU A 503 11.390 -3.056 6.830 1.00 0.00 C ATOM 883 CD GLU A 503 12.229 -4.316 6.746 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.557 -4.738 5.617 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.558 -4.882 7.810 1.00 0.00 O ATOM 0 H GLU A 503 8.922 -2.245 6.110 1.00 0.00 H new ATOM 0 HA GLU A 503 10.983 -0.361 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.841 -2.964 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.319 -2.107 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 503 11.811 -2.394 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.384 -3.316 7.159 1.00 0.00 H new ATOM 892 N ARG A 504 11.585 0.569 4.068 1.00 0.00 N ATOM 893 CA ARG A 504 11.747 1.319 2.828 1.00 0.00 C ATOM 894 C ARG A 504 12.924 0.786 2.018 1.00 0.00 C ATOM 895 O ARG A 504 14.023 0.608 2.543 1.00 0.00 O ATOM 896 CB ARG A 504 11.953 2.805 3.129 1.00 0.00 C ATOM 897 CG ARG A 504 10.741 3.470 3.762 1.00 0.00 C ATOM 898 CD ARG A 504 10.977 3.783 5.231 1.00 0.00 C ATOM 899 NE ARG A 504 12.021 4.788 5.416 1.00 0.00 N ATOM 900 CZ ARG A 504 11.851 6.086 5.174 1.00 0.00 C ATOM 901 NH1 ARG A 504 10.682 6.539 4.738 1.00 0.00 N ATOM 902 NH2 ARG A 504 12.853 6.933 5.368 1.00 0.00 N ATOM 0 H ARG A 504 12.298 0.759 4.772 1.00 0.00 H new ATOM 0 HA ARG A 504 10.838 1.196 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.808 2.917 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.200 3.324 2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.509 4.390 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 504 9.874 2.817 3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 504 10.049 4.138 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.256 2.869 5.756 1.00 0.00 H new ATOM 0 HE ARG A 504 12.933 4.477 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 504 9.908 5.892 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 504 10.557 7.535 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 504 13.753 6.590 5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 504 12.723 7.928 5.183 1.00 0.00 H new ATOM 916 N LYS A 505 12.685 0.533 0.735 1.00 0.00 N ATOM 917 CA LYS A 505 13.725 0.020 -0.150 1.00 0.00 C ATOM 918 C LYS A 505 13.751 0.795 -1.464 1.00 0.00 C ATOM 919 O LYS A 505 12.721 1.284 -1.927 1.00 0.00 O ATOM 920 CB LYS A 505 13.502 -1.468 -0.425 1.00 0.00 C ATOM 921 CG LYS A 505 13.501 -2.325 0.830 1.00 0.00 C ATOM 922 CD LYS A 505 13.519 -3.807 0.492 1.00 0.00 C ATOM 923 CE LYS A 505 12.256 -4.226 -0.243 1.00 0.00 C ATOM 924 NZ LYS A 505 11.908 -5.650 0.017 1.00 0.00 N ATOM 0 H LYS A 505 11.781 0.675 0.285 1.00 0.00 H new ATOM 0 HA LYS A 505 14.687 0.149 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.551 -1.595 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.281 -1.825 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.370 -2.079 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 505 12.618 -2.097 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 505 14.390 -4.030 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 505 13.618 -4.389 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 505 11.428 -3.588 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 505 12.392 -4.075 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 10.934 -5.832 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.562 -6.268 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 11.985 -5.846 1.036 1.00 0.00 H new ATOM 938 N MET A 506 14.934 0.902 -2.059 1.00 0.00 N ATOM 939 CA MET A 506 15.093 1.618 -3.320 1.00 0.00 C ATOM 940 C MET A 506 15.440 0.656 -4.452 1.00 0.00 C ATOM 941 O MET A 506 16.583 0.219 -4.581 1.00 0.00 O ATOM 942 CB MET A 506 16.181 2.686 -3.193 1.00 0.00 C ATOM 943 CG MET A 506 17.429 2.203 -2.471 1.00 0.00 C ATOM 944 SD MET A 506 18.678 3.493 -2.305 1.00 0.00 S ATOM 945 CE MET A 506 19.069 3.809 -4.024 1.00 0.00 C ATOM 0 H MET A 506 15.796 0.502 -1.689 1.00 0.00 H new ATOM 0 HA MET A 506 14.145 2.102 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 506 16.458 3.030 -4.189 1.00 0.00 H new ATOM 0 HB3 MET A 506 15.774 3.546 -2.661 1.00 0.00 H new ATOM 0 HG2 MET A 506 17.154 1.840 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 506 17.854 1.359 -3.014 1.00 0.00 H new ATOM 0 HE1 MET A 506 20.015 4.346 -4.089 1.00 0.00 H new ATOM 0 HE2 MET A 506 19.151 2.863 -4.558 1.00 0.00 H new ATOM 0 HE3 MET A 506 18.279 4.411 -4.472 1.00 0.00 H new ATOM 955 N ILE A 507 14.444 0.330 -5.270 1.00 0.00 N ATOM 956 CA ILE A 507 14.643 -0.579 -6.392 1.00 0.00 C ATOM 957 C ILE A 507 14.372 0.121 -7.720 1.00 0.00 C ATOM 958 O ILE A 507 13.295 0.677 -7.931 1.00 0.00 O ATOM 959 CB ILE A 507 13.731 -1.816 -6.281 1.00 0.00 C ATOM 960 CG1 ILE A 507 13.864 -2.452 -4.897 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.070 -2.826 -7.368 1.00 0.00 C ATOM 962 CD1 ILE A 507 12.882 -3.577 -4.652 1.00 0.00 C ATOM 0 H ILE A 507 13.491 0.682 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 507 15.684 -0.900 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 507 12.697 -1.499 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 507 14.878 -2.833 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 507 13.721 -1.683 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.417 -3.694 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 507 13.928 -2.368 -8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.108 -3.141 -7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.034 -3.981 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 507 11.864 -3.197 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.040 -4.365 -5.389 1.00 0.00 H new ATOM 974 N ASN A 508 15.357 0.089 -8.612 1.00 0.00 N ATOM 975 CA ASN A 508 15.225 0.721 -9.920 1.00 0.00 C ATOM 976 C ASN A 508 14.924 2.211 -9.777 1.00 0.00 C ATOM 977 O ASN A 508 14.070 2.753 -10.480 1.00 0.00 O ATOM 978 CB ASN A 508 14.120 0.039 -10.729 1.00 0.00 C ATOM 979 CG ASN A 508 14.377 -1.442 -10.924 1.00 0.00 C ATOM 980 OD1 ASN A 508 15.509 -1.862 -11.163 1.00 0.00 O ATOM 981 ND2 ASN A 508 13.323 -2.244 -10.823 1.00 0.00 N ATOM 0 H ASN A 508 16.255 -0.368 -8.453 1.00 0.00 H new ATOM 0 HA ASN A 508 16.172 0.610 -10.448 1.00 0.00 H new ATOM 0 HB2 ASN A 508 13.165 0.176 -10.222 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.036 0.522 -11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.435 -3.251 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 508 12.402 -1.853 -10.624 1.00 0.00 H new ATOM 988 N ASP A 509 15.630 2.866 -8.863 1.00 0.00 N ATOM 989 CA ASP A 509 15.439 4.292 -8.626 1.00 0.00 C ATOM 990 C ASP A 509 14.009 4.583 -8.181 1.00 0.00 C ATOM 991 O ASP A 509 13.468 5.654 -8.457 1.00 0.00 O ATOM 992 CB ASP A 509 15.764 5.089 -9.891 1.00 0.00 C ATOM 993 CG ASP A 509 15.797 6.584 -9.643 1.00 0.00 C ATOM 994 OD1 ASP A 509 15.842 6.990 -8.462 1.00 0.00 O ATOM 995 OD2 ASP A 509 15.776 7.350 -10.629 1.00 0.00 O ATOM 0 H ASP A 509 16.340 2.432 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 509 16.117 4.596 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.730 4.767 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 509 15.021 4.867 -10.657 1.00 0.00 H new ATOM 1000 N LYS A 510 13.403 3.622 -7.492 1.00 0.00 N ATOM 1001 CA LYS A 510 12.035 3.774 -7.007 1.00 0.00 C ATOM 1002 C LYS A 510 11.918 3.314 -5.558 1.00 0.00 C ATOM 1003 O LYS A 510 12.592 2.374 -5.138 1.00 0.00 O ATOM 1004 CB LYS A 510 11.068 2.979 -7.886 1.00 0.00 C ATOM 1005 CG LYS A 510 10.879 3.571 -9.273 1.00 0.00 C ATOM 1006 CD LYS A 510 9.997 2.687 -10.140 1.00 0.00 C ATOM 1007 CE LYS A 510 8.556 2.692 -9.654 1.00 0.00 C ATOM 1008 NZ LYS A 510 7.964 4.058 -9.683 1.00 0.00 N ATOM 0 H LYS A 510 13.837 2.729 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 510 11.774 4.831 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.435 1.957 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.100 2.924 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 510 10.433 4.562 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.850 3.698 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.035 3.034 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.382 1.667 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 510 7.960 2.025 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 510 8.514 2.300 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.927 3.988 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.305 4.601 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 8.246 4.540 -10.560 1.00 0.00 H new ATOM 1022 N MET A 511 11.057 3.983 -4.798 1.00 0.00 N ATOM 1023 CA MET A 511 10.851 3.641 -3.395 1.00 0.00 C ATOM 1024 C MET A 511 9.766 2.579 -3.249 1.00 0.00 C ATOM 1025 O MET A 511 8.649 2.746 -3.739 1.00 0.00 O ATOM 1026 CB MET A 511 10.471 4.888 -2.595 1.00 0.00 C ATOM 1027 CG MET A 511 11.568 5.939 -2.550 1.00 0.00 C ATOM 1028 SD MET A 511 11.177 7.303 -1.437 1.00 0.00 S ATOM 1029 CE MET A 511 11.382 6.509 0.156 1.00 0.00 C ATOM 0 H MET A 511 10.491 4.764 -5.130 1.00 0.00 H new ATOM 0 HA MET A 511 11.785 3.238 -3.004 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.574 5.329 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.219 4.593 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 511 12.500 5.472 -2.233 1.00 0.00 H new ATOM 0 HG3 MET A 511 11.733 6.330 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.474 7.269 0.932 1.00 0.00 H new ATOM 0 HE2 MET A 511 10.515 5.881 0.364 1.00 0.00 H new ATOM 0 HE3 MET A 511 12.281 5.893 0.142 1.00 0.00 H new ATOM 1039 N HIS A 512 10.103 1.485 -2.573 1.00 0.00 N ATOM 1040 CA HIS A 512 9.157 0.395 -2.362 1.00 0.00 C ATOM 1041 C HIS A 512 9.063 0.034 -0.884 1.00 0.00 C ATOM 1042 O HIS A 512 9.987 0.289 -0.112 1.00 0.00 O ATOM 1043 CB HIS A 512 9.575 -0.833 -3.173 1.00 0.00 C ATOM 1044 CG HIS A 512 9.406 -0.661 -4.650 1.00 0.00 C ATOM 1045 ND1 HIS A 512 10.387 -0.134 -5.464 1.00 0.00 N ATOM 1046 CD2 HIS A 512 8.362 -0.949 -5.463 1.00 0.00 C ATOM 1047 CE1 HIS A 512 9.954 -0.106 -6.712 1.00 0.00 C ATOM 1048 NE2 HIS A 512 8.728 -0.595 -6.738 1.00 0.00 N ATOM 0 H HIS A 512 11.024 1.330 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 512 8.175 0.729 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 512 10.619 -1.061 -2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 512 8.988 -1.691 -2.846 1.00 0.00 H new ATOM 0 HD2 HIS A 512 7.417 -1.378 -5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 512 10.509 0.255 -7.565 1.00 0.00 H new ATOM 0 HE2 HIS A 512 8.147 -0.694 -7.570 1.00 0.00 H new ATOM 1057 N PHE A 513 7.939 -0.561 -0.496 1.00 0.00 N ATOM 1058 CA PHE A 513 7.724 -0.957 0.890 1.00 0.00 C ATOM 1059 C PHE A 513 7.725 -2.476 1.027 1.00 0.00 C ATOM 1060 O PHE A 513 7.226 -3.188 0.156 1.00 0.00 O ATOM 1061 CB PHE A 513 6.401 -0.388 1.406 1.00 0.00 C ATOM 1062 CG PHE A 513 6.350 1.113 1.397 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.884 1.844 2.446 1.00 0.00 C ATOM 1064 CD2 PHE A 513 5.768 1.793 0.339 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.839 3.225 2.440 1.00 0.00 C ATOM 1066 CE2 PHE A 513 5.720 3.174 0.327 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.256 3.891 1.379 1.00 0.00 C ATOM 0 H PHE A 513 7.164 -0.779 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 513 8.542 -0.555 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.585 -0.775 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.234 -0.743 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.341 1.328 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.347 1.237 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.259 3.783 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.264 3.692 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.219 4.970 1.372 1.00 0.00 H new ATOM 1077 N SER A 514 8.290 -2.966 2.126 1.00 0.00 N ATOM 1078 CA SER A 514 8.356 -4.401 2.376 1.00 0.00 C ATOM 1079 C SER A 514 8.275 -4.695 3.870 1.00 0.00 C ATOM 1080 O SER A 514 8.821 -3.957 4.689 1.00 0.00 O ATOM 1081 CB SER A 514 9.648 -4.982 1.799 1.00 0.00 C ATOM 1082 OG SER A 514 9.675 -6.393 1.926 1.00 0.00 O ATOM 0 H SER A 514 8.708 -2.391 2.857 1.00 0.00 H new ATOM 0 HA SER A 514 7.504 -4.871 1.884 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.736 -4.707 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.506 -4.551 2.315 1.00 0.00 H new ATOM 0 HG SER A 514 10.526 -6.669 2.326 1.00 0.00 H new ATOM 1088 N LEU A 515 7.588 -5.779 4.218 1.00 0.00 N ATOM 1089 CA LEU A 515 7.436 -6.169 5.615 1.00 0.00 C ATOM 1090 C LEU A 515 8.061 -7.537 5.869 1.00 0.00 C ATOM 1091 O LEU A 515 7.745 -8.512 5.186 1.00 0.00 O ATOM 1092 CB LEU A 515 5.954 -6.187 6.001 1.00 0.00 C ATOM 1093 CG LEU A 515 5.618 -5.458 7.305 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.635 -4.326 7.048 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.057 -6.430 8.333 1.00 0.00 C ATOM 0 H LEU A 515 7.129 -6.401 3.553 1.00 0.00 H new ATOM 0 HA LEU A 515 7.955 -5.435 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.377 -5.738 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.629 -7.224 6.087 1.00 0.00 H new ATOM 0 HG LEU A 515 6.538 -5.030 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.409 -3.820 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 515 5.074 -3.614 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.716 -4.731 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 515 4.824 -5.893 9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.149 -6.890 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 515 5.795 -7.205 8.542 1.00 0.00 H new ATOM 1107 N LYS A 516 8.948 -7.602 6.856 1.00 0.00 N ATOM 1108 CA LYS A 516 9.617 -8.851 7.201 1.00 0.00 C ATOM 1109 C LYS A 516 8.972 -9.494 8.424 1.00 0.00 C ATOM 1110 O LYS A 516 8.812 -8.853 9.463 1.00 0.00 O ATOM 1111 CB LYS A 516 11.103 -8.602 7.465 1.00 0.00 C ATOM 1112 CG LYS A 516 11.936 -9.873 7.498 1.00 0.00 C ATOM 1113 CD LYS A 516 13.328 -9.612 8.050 1.00 0.00 C ATOM 1114 CE LYS A 516 14.162 -8.780 7.089 1.00 0.00 C ATOM 1115 NZ LYS A 516 14.745 -9.609 5.998 1.00 0.00 N ATOM 0 H LYS A 516 9.220 -6.805 7.431 1.00 0.00 H new ATOM 0 HA LYS A 516 9.514 -9.534 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 516 11.495 -7.941 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 516 11.212 -8.081 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 516 11.435 -10.622 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.014 -10.285 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 516 13.250 -9.095 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 516 13.829 -10.561 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 516 13.542 -7.995 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 516 14.964 -8.287 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 15.306 -9.004 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 15.357 -10.343 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.979 -10.060 5.458 1.00 0.00 H new ATOM 1129 N GLU A 517 8.603 -10.764 8.294 1.00 0.00 N ATOM 1130 CA GLU A 517 7.976 -11.494 9.389 1.00 0.00 C ATOM 1131 C GLU A 517 9.027 -12.122 10.298 1.00 0.00 C ATOM 1132 O GLU A 517 8.668 -12.533 11.421 1.00 0.00 O ATOM 1133 CB GLU A 517 7.045 -12.577 8.841 1.00 0.00 C ATOM 1134 CG GLU A 517 7.768 -13.666 8.065 1.00 0.00 C ATOM 1135 CD GLU A 517 6.815 -14.659 7.429 1.00 0.00 C ATOM 1136 OE1 GLU A 517 6.198 -15.450 8.172 1.00 0.00 O ATOM 1137 OE2 GLU A 517 6.686 -14.644 6.186 1.00 0.00 O ATOM 1138 OXT GLU A 517 10.201 -12.199 9.878 1.00 0.00 O ATOM 0 H GLU A 517 8.728 -11.309 7.441 1.00 0.00 H new ATOM 0 HA GLU A 517 7.392 -10.786 9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 517 6.503 -13.032 9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 517 6.303 -12.112 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 517 8.381 -13.208 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 517 8.445 -14.196 8.735 1.00 0.00 H new