USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 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 478 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.42) USER MOD Set 1.2: A 486 SER OG : 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 -14:sc= 0.898 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 150:sc=-0.00187 (180deg=-0.976) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0195) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 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 488 GLN : amide:sc= -0.0618 X(o=-0.062,f=-0.35) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 498 LYS NZ :NH3+ -167:sc= 0.188 (180deg=0.125) USER MOD Single : A 501 ASN : amide:sc= -0.721 K(o=-0.72,f=-1.7!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -162:sc= -0.104 (180deg=-0.608) USER MOD Single : A 508 ASN : amide:sc= -5.8! C(o=-5.8!,f=-8.4!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 163:sc= -0.014 (180deg=-0.293) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -2.24 F(o=-3.8!,f=-2.2) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 163:sc= -0.155 (180deg=-0.553) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.620 -0.138 3.486 1.00 0.00 N ATOM 46 CA VAL A 454 -9.187 -0.394 3.385 1.00 0.00 C ATOM 47 C VAL A 454 -8.540 -0.439 4.765 1.00 0.00 C ATOM 48 O VAL A 454 -8.750 0.450 5.591 1.00 0.00 O ATOM 49 CB VAL A 454 -8.483 0.681 2.537 1.00 0.00 C ATOM 50 CG1 VAL A 454 -7.030 0.304 2.295 1.00 0.00 C ATOM 51 CG2 VAL A 454 -9.215 0.885 1.219 1.00 0.00 C ATOM 0 HA VAL A 454 -9.072 -1.363 2.899 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.503 1.622 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.549 1.076 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.513 0.214 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.984 -0.648 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.703 1.648 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.229 -0.052 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -10.238 1.205 1.417 1.00 0.00 H new ATOM 61 N THR A 455 -7.753 -1.482 5.009 1.00 0.00 N ATOM 62 CA THR A 455 -7.074 -1.644 6.289 1.00 0.00 C ATOM 63 C THR A 455 -5.583 -1.894 6.086 1.00 0.00 C ATOM 64 O THR A 455 -5.137 -2.187 4.977 1.00 0.00 O ATOM 65 CB THR A 455 -7.694 -2.800 7.077 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.290 -4.046 6.539 1.00 0.00 O ATOM 67 CG2 THR A 455 -9.207 -2.772 7.086 1.00 0.00 C ATOM 0 H THR A 455 -7.570 -2.227 4.337 1.00 0.00 H new ATOM 0 HA THR A 455 -7.196 -0.721 6.856 1.00 0.00 H new ATOM 0 HB THR A 455 -7.338 -2.678 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 455 -7.695 -4.773 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 455 -9.583 -3.618 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 455 -9.551 -1.843 7.540 1.00 0.00 H new ATOM 0 HG23 THR A 455 -9.578 -2.835 6.063 1.00 0.00 H new ATOM 75 N GLU A 456 -4.816 -1.778 7.166 1.00 0.00 N ATOM 76 CA GLU A 456 -3.374 -1.992 7.106 1.00 0.00 C ATOM 77 C GLU A 456 -3.053 -3.405 6.629 1.00 0.00 C ATOM 78 O GLU A 456 -2.077 -3.623 5.912 1.00 0.00 O ATOM 79 CB GLU A 456 -2.744 -1.750 8.479 1.00 0.00 C ATOM 80 CG GLU A 456 -2.822 -0.303 8.939 1.00 0.00 C ATOM 81 CD GLU A 456 -2.165 -0.084 10.287 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.787 -0.429 11.314 1.00 0.00 O ATOM 83 OE2 GLU A 456 -1.028 0.430 10.316 1.00 0.00 O ATOM 0 H GLU A 456 -5.169 -1.537 8.092 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.956 -1.283 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.241 -2.383 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -1.699 -2.057 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -2.343 0.336 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -3.867 0.001 8.995 1.00 0.00 H new ATOM 90 N ASP A 457 -3.882 -4.362 7.034 1.00 0.00 N ATOM 91 CA ASP A 457 -3.689 -5.755 6.650 1.00 0.00 C ATOM 92 C ASP A 457 -3.734 -5.914 5.133 1.00 0.00 C ATOM 93 O ASP A 457 -3.004 -6.722 4.561 1.00 0.00 O ATOM 94 CB ASP A 457 -4.755 -6.639 7.298 1.00 0.00 C ATOM 95 CG ASP A 457 -4.481 -8.116 7.100 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.713 -8.690 7.900 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.036 -8.700 6.145 1.00 0.00 O ATOM 0 H ASP A 457 -4.694 -4.198 7.628 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.706 -6.068 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -4.804 -6.421 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.730 -6.394 6.878 1.00 0.00 H new ATOM 102 N ALA A 458 -4.599 -5.137 4.489 1.00 0.00 N ATOM 103 CA ALA A 458 -4.742 -5.193 3.039 1.00 0.00 C ATOM 104 C ALA A 458 -3.437 -4.821 2.343 1.00 0.00 C ATOM 105 O ALA A 458 -2.914 -5.586 1.533 1.00 0.00 O ATOM 106 CB ALA A 458 -5.864 -4.272 2.584 1.00 0.00 C ATOM 0 H ALA A 458 -5.211 -4.462 4.948 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.992 -6.218 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.960 -4.324 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.801 -4.584 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.637 -3.248 2.880 1.00 0.00 H new ATOM 112 N VAL A 459 -2.914 -3.643 2.666 1.00 0.00 N ATOM 113 CA VAL A 459 -1.669 -3.171 2.072 1.00 0.00 C ATOM 114 C VAL A 459 -0.491 -4.033 2.513 1.00 0.00 C ATOM 115 O VAL A 459 0.386 -4.358 1.713 1.00 0.00 O ATOM 116 CB VAL A 459 -1.387 -1.703 2.449 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.156 -1.189 1.718 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.596 -0.831 2.145 1.00 0.00 C ATOM 0 H VAL A 459 -3.333 -2.998 3.336 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.786 -3.244 0.991 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.192 -1.655 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 459 0.026 -0.151 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.708 -1.795 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.319 -1.252 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.378 0.201 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.825 -0.884 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.453 -1.184 2.718 1.00 0.00 H new ATOM 128 N ARG A 460 -0.478 -4.399 3.790 1.00 0.00 N ATOM 129 CA ARG A 460 0.591 -5.224 4.339 1.00 0.00 C ATOM 130 C ARG A 460 0.680 -6.561 3.610 1.00 0.00 C ATOM 131 O ARG A 460 1.769 -7.100 3.408 1.00 0.00 O ATOM 132 CB ARG A 460 0.366 -5.460 5.834 1.00 0.00 C ATOM 133 CG ARG A 460 1.488 -6.235 6.503 1.00 0.00 C ATOM 134 CD ARG A 460 1.202 -6.466 7.978 1.00 0.00 C ATOM 135 NE ARG A 460 2.370 -6.981 8.689 1.00 0.00 N ATOM 136 CZ ARG A 460 2.516 -6.928 10.012 1.00 0.00 C ATOM 137 NH1 ARG A 460 1.571 -6.388 10.770 1.00 0.00 N ATOM 138 NH2 ARG A 460 3.611 -7.418 10.577 1.00 0.00 N ATOM 0 H ARG A 460 -1.197 -4.137 4.465 1.00 0.00 H new ATOM 0 HA ARG A 460 1.532 -4.692 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.253 -4.497 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.570 -6.001 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.618 -7.194 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.425 -5.688 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.883 -5.530 8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.376 -7.169 8.081 1.00 0.00 H new ATOM 0 HE ARG A 460 3.117 -7.406 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.726 -6.010 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 460 1.689 -6.350 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 460 4.340 -7.835 9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 460 3.724 -7.378 11.590 1.00 0.00 H new ATOM 152 N ARG A 461 -0.473 -7.093 3.218 1.00 0.00 N ATOM 153 CA ARG A 461 -0.528 -8.367 2.511 1.00 0.00 C ATOM 154 C ARG A 461 0.303 -8.321 1.232 1.00 0.00 C ATOM 155 O ARG A 461 1.000 -9.278 0.897 1.00 0.00 O ATOM 156 CB ARG A 461 -1.978 -8.728 2.179 1.00 0.00 C ATOM 157 CG ARG A 461 -2.145 -10.138 1.637 1.00 0.00 C ATOM 158 CD ARG A 461 -1.971 -10.179 0.128 1.00 0.00 C ATOM 159 NE ARG A 461 -2.422 -11.447 -0.440 1.00 0.00 N ATOM 160 CZ ARG A 461 -2.135 -11.850 -1.676 1.00 0.00 C ATOM 161 NH1 ARG A 461 -1.398 -11.089 -2.475 1.00 0.00 N ATOM 162 NH2 ARG A 461 -2.586 -13.018 -2.113 1.00 0.00 N ATOM 0 H ARG A 461 -1.383 -6.661 3.378 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.110 -9.133 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.586 -8.619 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.362 -8.018 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.416 -10.798 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -3.133 -10.516 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -2.530 -9.360 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -0.921 -10.023 -0.120 1.00 0.00 H new ATOM 0 HE ARG A 461 -2.990 -12.060 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -1.048 -10.190 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -1.181 -11.403 -3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -3.152 -13.607 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -2.367 -13.328 -3.060 1.00 0.00 H new ATOM 176 N TYR A 462 0.221 -7.201 0.521 1.00 0.00 N ATOM 177 CA TYR A 462 0.964 -7.030 -0.723 1.00 0.00 C ATOM 178 C TYR A 462 2.459 -6.886 -0.451 1.00 0.00 C ATOM 179 O TYR A 462 3.288 -7.430 -1.181 1.00 0.00 O ATOM 180 CB TYR A 462 0.454 -5.805 -1.482 1.00 0.00 C ATOM 181 CG TYR A 462 -0.998 -5.907 -1.896 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.362 -6.572 -3.060 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.002 -5.340 -1.122 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.686 -6.668 -3.441 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.328 -5.432 -1.497 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.665 -6.096 -2.657 1.00 0.00 C ATOM 187 OH TYR A 462 -4.986 -6.190 -3.033 1.00 0.00 O ATOM 0 H TYR A 462 -0.352 -6.399 0.784 1.00 0.00 H new ATOM 0 HA TYR A 462 0.808 -7.919 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.583 -4.921 -0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 462 1.067 -5.659 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.598 -7.021 -3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -1.742 -4.819 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -2.953 -7.189 -4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.097 -4.986 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.548 -5.735 -2.371 1.00 0.00 H new ATOM 197 N LEU A 463 2.796 -6.148 0.602 1.00 0.00 N ATOM 198 CA LEU A 463 4.190 -5.930 0.967 1.00 0.00 C ATOM 199 C LEU A 463 4.875 -7.245 1.327 1.00 0.00 C ATOM 200 O LEU A 463 6.028 -7.476 0.964 1.00 0.00 O ATOM 201 CB LEU A 463 4.285 -4.955 2.143 1.00 0.00 C ATOM 202 CG LEU A 463 3.792 -3.537 1.847 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.690 -2.729 3.130 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.716 -2.850 0.853 1.00 0.00 C ATOM 0 H LEU A 463 2.122 -5.691 1.217 1.00 0.00 H new ATOM 0 HA LEU A 463 4.700 -5.501 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.709 -5.357 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.324 -4.902 2.469 1.00 0.00 H new ATOM 0 HG LEU A 463 2.798 -3.602 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.338 -1.723 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.988 -3.212 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.671 -2.671 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.351 -1.842 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.722 -2.796 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.738 -3.419 -0.077 1.00 0.00 H new ATOM 216 N THR A 464 4.156 -8.105 2.042 1.00 0.00 N ATOM 217 CA THR A 464 4.693 -9.393 2.450 1.00 0.00 C ATOM 218 C THR A 464 4.962 -10.280 1.239 1.00 0.00 C ATOM 219 O THR A 464 5.884 -11.096 1.246 1.00 0.00 O ATOM 220 CB THR A 464 3.717 -10.084 3.399 1.00 0.00 C ATOM 221 OG1 THR A 464 2.450 -10.247 2.787 1.00 0.00 O ATOM 222 CG2 THR A 464 3.508 -9.331 4.696 1.00 0.00 C ATOM 0 H THR A 464 3.199 -7.930 2.350 1.00 0.00 H new ATOM 0 HA THR A 464 5.639 -9.224 2.965 1.00 0.00 H new ATOM 0 HB THR A 464 4.171 -11.048 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.401 -9.689 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.804 -9.877 5.324 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.460 -9.234 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.110 -8.339 4.481 1.00 0.00 H new ATOM 230 N ARG A 465 4.152 -10.113 0.198 1.00 0.00 N ATOM 231 CA ARG A 465 4.304 -10.899 -1.021 1.00 0.00 C ATOM 232 C ARG A 465 5.429 -10.345 -1.887 1.00 0.00 C ATOM 233 O ARG A 465 6.400 -11.040 -2.184 1.00 0.00 O ATOM 234 CB ARG A 465 2.995 -10.911 -1.813 1.00 0.00 C ATOM 235 CG ARG A 465 1.897 -11.735 -1.160 1.00 0.00 C ATOM 236 CD ARG A 465 2.263 -13.209 -1.111 1.00 0.00 C ATOM 237 NE ARG A 465 1.138 -14.039 -0.682 1.00 0.00 N ATOM 238 CZ ARG A 465 0.137 -14.400 -1.481 1.00 0.00 C ATOM 239 NH1 ARG A 465 0.114 -14.007 -2.748 1.00 0.00 N ATOM 240 NH2 ARG A 465 -0.845 -15.157 -1.011 1.00 0.00 N ATOM 0 H ARG A 465 3.385 -9.441 0.174 1.00 0.00 H new ATOM 0 HA ARG A 465 4.557 -11.920 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.645 -9.886 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.188 -11.304 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 465 1.718 -11.369 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 465 0.967 -11.608 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 465 2.597 -13.533 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 465 3.100 -13.352 -0.428 1.00 0.00 H new ATOM 0 HE ARG A 465 1.120 -14.360 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 465 0.867 -13.425 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -0.656 -14.287 -3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -0.833 -15.462 -0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -1.613 -15.434 -1.623 1.00 0.00 H new ATOM 254 N LYS A 466 5.287 -9.089 -2.284 1.00 0.00 N ATOM 255 CA LYS A 466 6.288 -8.430 -3.116 1.00 0.00 C ATOM 256 C LYS A 466 6.390 -6.946 -2.773 1.00 0.00 C ATOM 257 O LYS A 466 5.413 -6.331 -2.345 1.00 0.00 O ATOM 258 CB LYS A 466 5.943 -8.601 -4.597 1.00 0.00 C ATOM 259 CG LYS A 466 4.503 -8.245 -4.930 1.00 0.00 C ATOM 260 CD LYS A 466 4.110 -8.753 -6.308 1.00 0.00 C ATOM 261 CE LYS A 466 4.244 -7.666 -7.361 1.00 0.00 C ATOM 262 NZ LYS A 466 3.162 -7.742 -8.381 1.00 0.00 N ATOM 0 H LYS A 466 4.487 -8.503 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 466 7.253 -8.897 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 466 6.610 -7.977 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.130 -9.635 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 466 3.838 -8.673 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 466 4.375 -7.163 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 466 4.739 -9.601 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 466 3.082 -9.113 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 466 4.220 -6.689 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 466 5.213 -7.755 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 3.290 -6.983 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 3.200 -8.664 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 2.238 -7.632 -7.916 1.00 0.00 H new ATOM 276 N PRO A 467 7.580 -6.349 -2.957 1.00 0.00 N ATOM 277 CA PRO A 467 7.804 -4.929 -2.666 1.00 0.00 C ATOM 278 C PRO A 467 7.074 -4.016 -3.645 1.00 0.00 C ATOM 279 O PRO A 467 7.179 -4.181 -4.859 1.00 0.00 O ATOM 280 CB PRO A 467 9.319 -4.769 -2.812 1.00 0.00 C ATOM 281 CG PRO A 467 9.727 -5.861 -3.740 1.00 0.00 C ATOM 282 CD PRO A 467 8.797 -7.009 -3.465 1.00 0.00 C ATOM 0 HA PRO A 467 7.427 -4.651 -1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.577 -3.790 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.821 -4.859 -1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 467 9.652 -5.539 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.764 -6.150 -3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.594 -7.587 -4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.216 -7.699 -2.732 1.00 0.00 H new ATOM 290 N MET A 468 6.334 -3.051 -3.107 1.00 0.00 N ATOM 291 CA MET A 468 5.586 -2.111 -3.935 1.00 0.00 C ATOM 292 C MET A 468 5.836 -0.674 -3.488 1.00 0.00 C ATOM 293 O MET A 468 6.165 -0.422 -2.329 1.00 0.00 O ATOM 294 CB MET A 468 4.090 -2.423 -3.873 1.00 0.00 C ATOM 295 CG MET A 468 3.735 -3.804 -4.399 1.00 0.00 C ATOM 296 SD MET A 468 1.955 -4.080 -4.483 1.00 0.00 S ATOM 297 CE MET A 468 1.526 -3.095 -5.916 1.00 0.00 C ATOM 0 H MET A 468 6.236 -2.900 -2.103 1.00 0.00 H new ATOM 0 HA MET A 468 5.930 -2.218 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.752 -2.339 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.547 -1.673 -4.448 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.166 -3.932 -5.392 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.186 -4.560 -3.756 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.663 -3.535 -6.415 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.284 -2.080 -5.601 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.370 -3.069 -6.606 1.00 0.00 H new ATOM 307 N THR A 469 5.676 0.265 -4.416 1.00 0.00 N ATOM 308 CA THR A 469 5.883 1.677 -4.119 1.00 0.00 C ATOM 309 C THR A 469 4.576 2.341 -3.697 1.00 0.00 C ATOM 310 O THR A 469 3.496 1.779 -3.879 1.00 0.00 O ATOM 311 CB THR A 469 6.463 2.397 -5.337 1.00 0.00 C ATOM 312 OG1 THR A 469 5.478 2.552 -6.344 1.00 0.00 O ATOM 313 CG2 THR A 469 7.641 1.676 -5.954 1.00 0.00 C ATOM 0 H THR A 469 5.404 0.073 -5.380 1.00 0.00 H new ATOM 0 HA THR A 469 6.590 1.748 -3.293 1.00 0.00 H new ATOM 0 HB THR A 469 6.804 3.363 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.868 3.016 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 469 8.004 2.240 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.439 1.585 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.331 0.682 -6.278 1.00 0.00 H new ATOM 321 N THR A 470 4.682 3.541 -3.133 1.00 0.00 N ATOM 322 CA THR A 470 3.507 4.282 -2.687 1.00 0.00 C ATOM 323 C THR A 470 2.525 4.489 -3.835 1.00 0.00 C ATOM 324 O THR A 470 1.319 4.293 -3.678 1.00 0.00 O ATOM 325 CB THR A 470 3.921 5.635 -2.106 1.00 0.00 C ATOM 326 OG1 THR A 470 4.728 6.350 -3.025 1.00 0.00 O ATOM 327 CG2 THR A 470 4.695 5.518 -0.811 1.00 0.00 C ATOM 0 H THR A 470 5.568 4.020 -2.974 1.00 0.00 H new ATOM 0 HA THR A 470 3.013 3.696 -1.911 1.00 0.00 H new ATOM 0 HB THR A 470 2.988 6.162 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.981 7.213 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.958 6.513 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.081 5.014 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.604 4.942 -0.981 1.00 0.00 H new ATOM 335 N LYS A 471 3.049 4.886 -4.990 1.00 0.00 N ATOM 336 CA LYS A 471 2.219 5.118 -6.165 1.00 0.00 C ATOM 337 C LYS A 471 1.508 3.836 -6.589 1.00 0.00 C ATOM 338 O LYS A 471 0.326 3.855 -6.936 1.00 0.00 O ATOM 339 CB LYS A 471 3.070 5.648 -7.321 1.00 0.00 C ATOM 340 CG LYS A 471 2.260 6.023 -8.551 1.00 0.00 C ATOM 341 CD LYS A 471 3.156 6.499 -9.683 1.00 0.00 C ATOM 342 CE LYS A 471 2.342 7.019 -10.856 1.00 0.00 C ATOM 343 NZ LYS A 471 2.962 6.664 -12.163 1.00 0.00 N ATOM 0 H LYS A 471 4.044 5.054 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 471 1.466 5.863 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.625 6.522 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.805 4.892 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.680 5.162 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.548 6.808 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.816 7.286 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.792 5.678 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.334 6.608 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.248 8.102 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.377 7.037 -12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.915 7.078 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 3.028 5.629 -12.246 1.00 0.00 H new ATOM 357 N ASP A 472 2.235 2.724 -6.555 1.00 0.00 N ATOM 358 CA ASP A 472 1.674 1.433 -6.935 1.00 0.00 C ATOM 359 C ASP A 472 0.543 1.034 -5.993 1.00 0.00 C ATOM 360 O ASP A 472 -0.456 0.453 -6.417 1.00 0.00 O ATOM 361 CB ASP A 472 2.763 0.359 -6.927 1.00 0.00 C ATOM 362 CG ASP A 472 3.830 0.608 -7.975 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.569 1.390 -8.913 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.926 0.019 -7.859 1.00 0.00 O ATOM 0 H ASP A 472 3.213 2.691 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 472 1.269 1.522 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.227 0.324 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.308 -0.616 -7.100 1.00 0.00 H new ATOM 369 N LEU A 473 0.709 1.348 -4.714 1.00 0.00 N ATOM 370 CA LEU A 473 -0.298 1.023 -3.710 1.00 0.00 C ATOM 371 C LEU A 473 -1.614 1.733 -4.008 1.00 0.00 C ATOM 372 O LEU A 473 -2.689 1.148 -3.881 1.00 0.00 O ATOM 373 CB LEU A 473 0.199 1.408 -2.315 1.00 0.00 C ATOM 374 CG LEU A 473 1.365 0.571 -1.788 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.861 1.122 -0.460 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.951 -0.886 -1.642 1.00 0.00 C ATOM 0 H LEU A 473 1.531 1.827 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.472 -0.053 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.501 2.455 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -0.632 1.326 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 473 2.182 0.626 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.691 0.513 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 473 2.197 2.150 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 473 1.051 1.098 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.793 -1.467 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 473 0.118 -0.959 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.645 -1.276 -2.613 1.00 0.00 H new ATOM 388 N LEU A 474 -1.522 2.998 -4.408 1.00 0.00 N ATOM 389 CA LEU A 474 -2.707 3.786 -4.725 1.00 0.00 C ATOM 390 C LEU A 474 -3.504 3.139 -5.853 1.00 0.00 C ATOM 391 O LEU A 474 -4.689 2.846 -5.701 1.00 0.00 O ATOM 392 CB LEU A 474 -2.309 5.210 -5.117 1.00 0.00 C ATOM 393 CG LEU A 474 -3.476 6.143 -5.444 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.192 6.567 -4.172 1.00 0.00 C ATOM 395 CD2 LEU A 474 -2.987 7.359 -6.214 1.00 0.00 C ATOM 0 H LEU A 474 -0.640 3.498 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.336 3.825 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -1.732 5.647 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.650 5.161 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 474 -4.184 5.602 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -5.019 7.230 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -4.577 5.685 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.494 7.090 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -3.831 8.011 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.258 7.902 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -2.521 7.037 -7.145 1.00 0.00 H new ATOM 407 N LYS A 475 -2.842 2.918 -6.985 1.00 0.00 N ATOM 408 CA LYS A 475 -3.488 2.303 -8.139 1.00 0.00 C ATOM 409 C LYS A 475 -3.985 0.901 -7.802 1.00 0.00 C ATOM 410 O LYS A 475 -4.975 0.431 -8.363 1.00 0.00 O ATOM 411 CB LYS A 475 -2.517 2.240 -9.319 1.00 0.00 C ATOM 412 CG LYS A 475 -2.117 3.605 -9.853 1.00 0.00 C ATOM 413 CD LYS A 475 -1.196 3.483 -11.057 1.00 0.00 C ATOM 414 CE LYS A 475 -1.953 3.027 -12.294 1.00 0.00 C ATOM 415 NZ LYS A 475 -2.767 4.125 -12.885 1.00 0.00 N ATOM 0 H LYS A 475 -1.860 3.155 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.345 2.917 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.620 1.702 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.974 1.664 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.010 4.164 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -1.618 4.172 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -0.722 4.445 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -0.398 2.774 -10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.245 2.660 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.604 2.192 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -3.186 3.803 -13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.525 4.390 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.160 4.950 -13.064 1.00 0.00 H new ATOM 429 N LYS A 476 -3.292 0.238 -6.882 1.00 0.00 N ATOM 430 CA LYS A 476 -3.662 -1.112 -6.470 1.00 0.00 C ATOM 431 C LYS A 476 -5.100 -1.155 -5.961 1.00 0.00 C ATOM 432 O LYS A 476 -5.807 -2.143 -6.154 1.00 0.00 O ATOM 433 CB LYS A 476 -2.709 -1.614 -5.384 1.00 0.00 C ATOM 434 CG LYS A 476 -2.913 -3.078 -5.025 1.00 0.00 C ATOM 435 CD LYS A 476 -2.283 -4.000 -6.059 1.00 0.00 C ATOM 436 CE LYS A 476 -3.338 -4.744 -6.862 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.743 -5.822 -7.697 1.00 0.00 N ATOM 0 H LYS A 476 -2.471 0.613 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.587 -1.763 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -1.682 -1.470 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -2.840 -1.007 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.478 -3.277 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.980 -3.290 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -1.656 -3.417 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.632 -4.718 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -4.074 -5.175 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -3.870 -4.040 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.495 -6.305 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -2.060 -5.408 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -2.257 -6.508 -7.084 1.00 0.00 H new ATOM 451 N PHE A 477 -5.526 -0.077 -5.311 1.00 0.00 N ATOM 452 CA PHE A 477 -6.880 0.006 -4.775 1.00 0.00 C ATOM 453 C PHE A 477 -7.808 0.748 -5.736 1.00 0.00 C ATOM 454 O PHE A 477 -8.861 1.243 -5.335 1.00 0.00 O ATOM 455 CB PHE A 477 -6.871 0.706 -3.415 1.00 0.00 C ATOM 456 CG PHE A 477 -6.166 -0.075 -2.343 1.00 0.00 C ATOM 457 CD1 PHE A 477 -6.787 -1.149 -1.728 1.00 0.00 C ATOM 458 CD2 PHE A 477 -4.882 0.266 -1.951 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.141 -1.869 -0.741 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.230 -0.450 -0.965 1.00 0.00 C ATOM 461 CZ PHE A 477 -4.860 -1.519 -0.360 1.00 0.00 C ATOM 0 H PHE A 477 -4.954 0.751 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.255 -1.010 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.391 1.679 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.899 0.889 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -7.788 -1.427 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.385 1.101 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -6.637 -2.704 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.229 -0.174 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.352 -2.081 0.410 1.00 0.00 H new ATOM 471 N GLN A 478 -7.415 0.818 -7.005 1.00 0.00 N ATOM 472 CA GLN A 478 -8.216 1.498 -8.017 1.00 0.00 C ATOM 473 C GLN A 478 -8.923 0.491 -8.917 1.00 0.00 C ATOM 474 O GLN A 478 -10.066 0.699 -9.323 1.00 0.00 O ATOM 475 CB GLN A 478 -7.337 2.425 -8.858 1.00 0.00 C ATOM 476 CG GLN A 478 -6.801 3.621 -8.089 1.00 0.00 C ATOM 477 CD GLN A 478 -7.897 4.575 -7.657 1.00 0.00 C ATOM 478 OE1 GLN A 478 -8.821 4.863 -8.418 1.00 0.00 O ATOM 479 NE2 GLN A 478 -7.799 5.071 -6.428 1.00 0.00 N ATOM 0 H GLN A 478 -6.547 0.412 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.972 2.094 -7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.498 1.854 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.913 2.782 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -6.262 3.270 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -6.083 4.156 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -7.016 4.805 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -8.507 5.718 -6.081 1.00 0.00 H new ATOM 488 N THR A 479 -8.233 -0.603 -9.227 1.00 0.00 N ATOM 489 CA THR A 479 -8.794 -1.644 -10.081 1.00 0.00 C ATOM 490 C THR A 479 -10.074 -2.213 -9.477 1.00 0.00 C ATOM 491 O THR A 479 -11.049 -2.462 -10.187 1.00 0.00 O ATOM 492 CB THR A 479 -7.774 -2.765 -10.289 1.00 0.00 C ATOM 493 OG1 THR A 479 -6.552 -2.246 -10.786 1.00 0.00 O ATOM 494 CG2 THR A 479 -8.245 -3.831 -11.255 1.00 0.00 C ATOM 0 H THR A 479 -7.285 -0.791 -8.900 1.00 0.00 H new ATOM 0 HA THR A 479 -9.036 -1.197 -11.045 1.00 0.00 H new ATOM 0 HB THR A 479 -7.641 -3.219 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 479 -5.912 -2.978 -10.911 1.00 0.00 H new ATOM 0 HG21 THR A 479 -7.475 -4.595 -11.357 1.00 0.00 H new ATOM 0 HG22 THR A 479 -9.160 -4.286 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 479 -8.440 -3.380 -12.228 1.00 0.00 H new ATOM 502 N LYS A 480 -10.065 -2.413 -8.163 1.00 0.00 N ATOM 503 CA LYS A 480 -11.226 -2.950 -7.465 1.00 0.00 C ATOM 504 C LYS A 480 -12.119 -1.825 -6.954 1.00 0.00 C ATOM 505 O LYS A 480 -11.633 -0.765 -6.557 1.00 0.00 O ATOM 506 CB LYS A 480 -10.783 -3.834 -6.298 1.00 0.00 C ATOM 507 CG LYS A 480 -10.024 -5.078 -6.730 1.00 0.00 C ATOM 508 CD LYS A 480 -9.635 -5.935 -5.538 1.00 0.00 C ATOM 509 CE LYS A 480 -10.850 -6.590 -4.902 1.00 0.00 C ATOM 510 NZ LYS A 480 -10.467 -7.671 -3.952 1.00 0.00 N ATOM 0 H LYS A 480 -9.267 -2.211 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.797 -3.553 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.153 -3.248 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.662 -4.135 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -10.640 -5.662 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.128 -4.787 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.931 -6.704 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -9.123 -5.320 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -11.435 -5.836 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -11.490 -7.003 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -11.325 -8.091 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -9.931 -8.404 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -9.878 -7.273 -3.193 1.00 0.00 H new ATOM 524 N LYS A 481 -13.427 -2.059 -6.966 1.00 0.00 N ATOM 525 CA LYS A 481 -14.385 -1.062 -6.504 1.00 0.00 C ATOM 526 C LYS A 481 -14.343 -0.932 -4.984 1.00 0.00 C ATOM 527 O LYS A 481 -14.902 -1.760 -4.264 1.00 0.00 O ATOM 528 CB LYS A 481 -15.799 -1.433 -6.956 1.00 0.00 C ATOM 529 CG LYS A 481 -16.825 -0.341 -6.701 1.00 0.00 C ATOM 530 CD LYS A 481 -18.221 -0.781 -7.110 1.00 0.00 C ATOM 531 CE LYS A 481 -19.240 0.326 -6.892 1.00 0.00 C ATOM 532 NZ LYS A 481 -20.454 0.139 -7.734 1.00 0.00 N ATOM 0 H LYS A 481 -13.847 -2.930 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 481 -14.112 -0.102 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.782 -1.663 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.110 -2.341 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.821 -0.077 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.548 0.556 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.219 -1.073 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.509 -1.661 -6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.528 0.352 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.784 1.289 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -21.123 0.915 -7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -20.183 0.140 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.904 -0.768 -7.497 1.00 0.00 H new ATOM 546 N THR A 482 -13.677 0.113 -4.505 1.00 0.00 N ATOM 547 CA THR A 482 -13.562 0.353 -3.070 1.00 0.00 C ATOM 548 C THR A 482 -14.807 1.054 -2.533 1.00 0.00 C ATOM 549 O THR A 482 -15.175 0.882 -1.372 1.00 0.00 O ATOM 550 CB THR A 482 -12.319 1.192 -2.771 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.368 2.425 -3.466 1.00 0.00 O ATOM 552 CG2 THR A 482 -11.027 0.503 -3.150 1.00 0.00 C ATOM 0 H THR A 482 -13.209 0.807 -5.088 1.00 0.00 H new ATOM 0 HA THR A 482 -13.469 -0.612 -2.571 1.00 0.00 H new ATOM 0 HB THR A 482 -12.327 1.346 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.565 2.948 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.185 1.153 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.935 -0.430 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.029 0.289 -4.219 1.00 0.00 H new ATOM 560 N GLY A 483 -15.449 1.845 -3.386 1.00 0.00 N ATOM 561 CA GLY A 483 -16.644 2.561 -2.979 1.00 0.00 C ATOM 562 C GLY A 483 -16.351 3.985 -2.554 1.00 0.00 C ATOM 563 O GLY A 483 -17.202 4.866 -2.681 1.00 0.00 O ATOM 0 H GLY A 483 -15.163 2.003 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -17.356 2.571 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.119 2.030 -2.154 1.00 0.00 H new ATOM 567 N LEU A 484 -15.143 4.214 -2.049 1.00 0.00 N ATOM 568 CA LEU A 484 -14.740 5.542 -1.605 1.00 0.00 C ATOM 569 C LEU A 484 -14.035 6.299 -2.727 1.00 0.00 C ATOM 570 O LEU A 484 -13.381 5.699 -3.579 1.00 0.00 O ATOM 571 CB LEU A 484 -13.817 5.437 -0.388 1.00 0.00 C ATOM 572 CG LEU A 484 -14.395 4.660 0.797 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.429 4.680 1.970 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.743 5.237 1.205 1.00 0.00 C ATOM 0 H LEU A 484 -14.427 3.497 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 484 -15.638 6.093 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.887 4.960 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -13.564 6.444 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.542 3.624 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.857 4.123 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.486 4.221 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.250 5.711 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -16.140 4.673 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -15.620 6.281 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -16.436 5.171 0.366 1.00 0.00 H new ATOM 586 N SER A 485 -14.174 7.621 -2.719 1.00 0.00 N ATOM 587 CA SER A 485 -13.551 8.460 -3.736 1.00 0.00 C ATOM 588 C SER A 485 -12.037 8.279 -3.739 1.00 0.00 C ATOM 589 O SER A 485 -11.445 7.902 -2.728 1.00 0.00 O ATOM 590 CB SER A 485 -13.899 9.931 -3.496 1.00 0.00 C ATOM 591 OG SER A 485 -15.301 10.134 -3.522 1.00 0.00 O ATOM 0 H SER A 485 -14.712 8.134 -2.020 1.00 0.00 H new ATOM 0 HA SER A 485 -13.937 8.155 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 485 -13.500 10.250 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 485 -13.425 10.549 -4.258 1.00 0.00 H new ATOM 0 HG SER A 485 -15.497 11.081 -3.364 1.00 0.00 H new ATOM 597 N SER A 486 -11.415 8.549 -4.882 1.00 0.00 N ATOM 598 CA SER A 486 -9.969 8.416 -5.018 1.00 0.00 C ATOM 599 C SER A 486 -9.244 9.306 -4.014 1.00 0.00 C ATOM 600 O SER A 486 -8.208 8.927 -3.467 1.00 0.00 O ATOM 601 CB SER A 486 -9.533 8.770 -6.440 1.00 0.00 C ATOM 602 OG SER A 486 -8.159 8.484 -6.640 1.00 0.00 O ATOM 0 H SER A 486 -11.890 8.862 -5.729 1.00 0.00 H new ATOM 0 HA SER A 486 -9.705 7.378 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 486 -10.132 8.209 -7.157 1.00 0.00 H new ATOM 0 HB3 SER A 486 -9.718 9.828 -6.628 1.00 0.00 H new ATOM 0 HG SER A 486 -7.906 8.718 -7.557 1.00 0.00 H new ATOM 608 N GLU A 487 -9.795 10.493 -3.777 1.00 0.00 N ATOM 609 CA GLU A 487 -9.201 11.437 -2.839 1.00 0.00 C ATOM 610 C GLU A 487 -9.162 10.854 -1.430 1.00 0.00 C ATOM 611 O GLU A 487 -8.186 11.029 -0.701 1.00 0.00 O ATOM 612 CB GLU A 487 -9.986 12.750 -2.839 1.00 0.00 C ATOM 613 CG GLU A 487 -9.336 13.848 -2.013 1.00 0.00 C ATOM 614 CD GLU A 487 -8.043 14.349 -2.627 1.00 0.00 C ATOM 615 OE1 GLU A 487 -7.875 14.207 -3.856 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.199 14.883 -1.878 1.00 0.00 O ATOM 0 H GLU A 487 -10.652 10.823 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 487 -8.178 11.633 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -10.097 13.097 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.989 12.564 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -10.032 14.681 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -9.136 13.473 -1.009 1.00 0.00 H new ATOM 623 N GLN A 488 -10.232 10.160 -1.054 1.00 0.00 N ATOM 624 CA GLN A 488 -10.320 9.550 0.268 1.00 0.00 C ATOM 625 C GLN A 488 -9.244 8.485 0.449 1.00 0.00 C ATOM 626 O GLN A 488 -8.670 8.345 1.530 1.00 0.00 O ATOM 627 CB GLN A 488 -11.704 8.935 0.477 1.00 0.00 C ATOM 628 CG GLN A 488 -12.833 9.953 0.455 1.00 0.00 C ATOM 629 CD GLN A 488 -12.711 10.981 1.563 1.00 0.00 C ATOM 630 OE1 GLN A 488 -12.348 10.653 2.693 1.00 0.00 O ATOM 631 NE2 GLN A 488 -13.015 12.233 1.244 1.00 0.00 N ATOM 0 H GLN A 488 -11.049 10.006 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 488 -10.161 10.330 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.882 8.191 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.718 8.410 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -12.840 10.462 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -13.787 9.434 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.311 12.460 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -12.952 12.968 1.948 1.00 0.00 H new ATOM 640 N THR A 489 -8.975 7.734 -0.615 1.00 0.00 N ATOM 641 CA THR A 489 -7.967 6.682 -0.572 1.00 0.00 C ATOM 642 C THR A 489 -6.590 7.259 -0.265 1.00 0.00 C ATOM 643 O THR A 489 -5.802 6.655 0.463 1.00 0.00 O ATOM 644 CB THR A 489 -7.931 5.927 -1.903 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.211 5.413 -2.223 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.956 4.769 -1.907 1.00 0.00 C ATOM 0 H THR A 489 -9.441 7.835 -1.517 1.00 0.00 H new ATOM 0 HA THR A 489 -8.236 5.989 0.225 1.00 0.00 H new ATOM 0 HB THR A 489 -7.604 6.659 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.167 4.936 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.980 4.277 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.950 5.140 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.236 4.055 -1.132 1.00 0.00 H new ATOM 654 N VAL A 490 -6.305 8.430 -0.825 1.00 0.00 N ATOM 655 CA VAL A 490 -5.024 9.088 -0.611 1.00 0.00 C ATOM 656 C VAL A 490 -4.831 9.451 0.858 1.00 0.00 C ATOM 657 O VAL A 490 -3.768 9.216 1.432 1.00 0.00 O ATOM 658 CB VAL A 490 -4.897 10.364 -1.465 1.00 0.00 C ATOM 659 CG1 VAL A 490 -3.502 10.957 -1.342 1.00 0.00 C ATOM 660 CG2 VAL A 490 -5.232 10.066 -2.919 1.00 0.00 C ATOM 0 H VAL A 490 -6.946 8.942 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 490 -4.251 8.381 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 490 -5.610 11.100 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -3.434 11.857 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -3.305 11.210 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -2.766 10.230 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -5.137 10.978 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -4.545 9.312 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -6.254 9.694 -2.988 1.00 0.00 H new ATOM 670 N ASN A 491 -5.867 10.025 1.461 1.00 0.00 N ATOM 671 CA ASN A 491 -5.811 10.421 2.864 1.00 0.00 C ATOM 672 C ASN A 491 -5.662 9.201 3.768 1.00 0.00 C ATOM 673 O ASN A 491 -4.866 9.206 4.706 1.00 0.00 O ATOM 674 CB ASN A 491 -7.070 11.203 3.245 1.00 0.00 C ATOM 675 CG ASN A 491 -7.169 12.529 2.517 1.00 0.00 C ATOM 676 OD1 ASN A 491 -6.184 13.024 1.968 1.00 0.00 O ATOM 677 ND2 ASN A 491 -8.361 13.113 2.511 1.00 0.00 N ATOM 0 H ASN A 491 -6.755 10.226 1.001 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.939 11.061 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.950 10.601 3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.072 11.381 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -8.488 14.008 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -9.150 12.667 2.979 1.00 0.00 H new ATOM 684 N VAL A 492 -6.434 8.159 3.479 1.00 0.00 N ATOM 685 CA VAL A 492 -6.386 6.933 4.266 1.00 0.00 C ATOM 686 C VAL A 492 -5.093 6.166 4.007 1.00 0.00 C ATOM 687 O VAL A 492 -4.462 5.661 4.935 1.00 0.00 O ATOM 688 CB VAL A 492 -7.586 6.017 3.953 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.593 4.806 4.876 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.891 6.790 4.068 1.00 0.00 C ATOM 0 H VAL A 492 -7.100 8.139 2.706 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.428 7.227 5.315 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.488 5.661 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.448 4.173 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.672 4.239 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.664 5.138 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.727 6.128 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.996 7.177 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.886 7.620 3.361 1.00 0.00 H new ATOM 700 N LEU A 493 -4.705 6.084 2.738 1.00 0.00 N ATOM 701 CA LEU A 493 -3.487 5.381 2.353 1.00 0.00 C ATOM 702 C LEU A 493 -2.258 6.053 2.955 1.00 0.00 C ATOM 703 O LEU A 493 -1.291 5.388 3.323 1.00 0.00 O ATOM 704 CB LEU A 493 -3.363 5.331 0.829 1.00 0.00 C ATOM 705 CG LEU A 493 -2.222 4.461 0.300 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.634 3.761 -0.987 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.974 5.301 0.075 1.00 0.00 C ATOM 0 H LEU A 493 -5.217 6.496 1.958 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.546 4.363 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.302 4.963 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.227 6.347 0.457 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.996 3.699 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.809 3.147 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.501 3.128 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.888 4.506 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.171 4.667 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -1.189 6.084 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.666 5.755 1.017 1.00 0.00 H new ATOM 719 N ALA A 494 -2.303 7.377 3.053 1.00 0.00 N ATOM 720 CA ALA A 494 -1.194 8.139 3.611 1.00 0.00 C ATOM 721 C ALA A 494 -1.096 7.937 5.118 1.00 0.00 C ATOM 722 O ALA A 494 -0.003 7.896 5.681 1.00 0.00 O ATOM 723 CB ALA A 494 -1.350 9.616 3.282 1.00 0.00 C ATOM 0 H ALA A 494 -3.096 7.944 2.753 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.270 7.775 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.514 10.173 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.364 9.748 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -2.284 9.986 3.705 1.00 0.00 H new ATOM 729 N GLN A 495 -2.249 7.813 5.766 1.00 0.00 N ATOM 730 CA GLN A 495 -2.300 7.617 7.212 1.00 0.00 C ATOM 731 C GLN A 495 -2.077 6.152 7.576 1.00 0.00 C ATOM 732 O GLN A 495 -1.408 5.843 8.562 1.00 0.00 O ATOM 733 CB GLN A 495 -3.644 8.093 7.765 1.00 0.00 C ATOM 734 CG GLN A 495 -3.864 9.590 7.625 1.00 0.00 C ATOM 735 CD GLN A 495 -5.221 10.031 8.139 1.00 0.00 C ATOM 736 OE1 GLN A 495 -6.148 9.229 8.244 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.343 11.312 8.463 1.00 0.00 N ATOM 0 H GLN A 495 -3.162 7.845 5.313 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.500 8.207 7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.447 7.566 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.711 7.821 8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.083 10.121 8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.768 9.871 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.548 11.942 8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.232 11.667 8.815 1.00 0.00 H new ATOM 746 N ILE A 496 -2.646 5.254 6.778 1.00 0.00 N ATOM 747 CA ILE A 496 -2.512 3.822 7.023 1.00 0.00 C ATOM 748 C ILE A 496 -1.053 3.385 6.945 1.00 0.00 C ATOM 749 O ILE A 496 -0.565 2.646 7.799 1.00 0.00 O ATOM 750 CB ILE A 496 -3.365 3.001 6.025 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.794 1.677 6.657 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.621 2.752 4.718 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.116 1.158 6.134 1.00 0.00 C ATOM 0 H ILE A 496 -3.203 5.492 5.958 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.879 3.630 8.031 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.254 3.586 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.022 0.930 6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.865 1.805 7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.253 2.173 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.373 3.706 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.704 2.199 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.357 0.216 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.900 1.887 6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.044 0.997 5.058 1.00 0.00 H new ATOM 765 N LEU A 497 -0.365 3.850 5.910 1.00 0.00 N ATOM 766 CA LEU A 497 1.041 3.513 5.708 1.00 0.00 C ATOM 767 C LEU A 497 1.882 3.926 6.911 1.00 0.00 C ATOM 768 O LEU A 497 2.745 3.173 7.364 1.00 0.00 O ATOM 769 CB LEU A 497 1.574 4.190 4.443 1.00 0.00 C ATOM 770 CG LEU A 497 1.060 3.603 3.127 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.449 4.494 1.959 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.599 2.194 2.927 1.00 0.00 C ATOM 0 H LEU A 497 -0.757 4.463 5.195 1.00 0.00 H new ATOM 0 HA LEU A 497 1.114 2.432 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.312 5.248 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.662 4.131 4.449 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.028 3.552 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.075 4.061 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.016 5.485 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.535 4.576 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.224 1.791 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.688 2.221 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.271 1.559 3.750 1.00 0.00 H new ATOM 784 N LYS A 498 1.625 5.123 7.427 1.00 0.00 N ATOM 785 CA LYS A 498 2.362 5.632 8.578 1.00 0.00 C ATOM 786 C LYS A 498 2.171 4.725 9.789 1.00 0.00 C ATOM 787 O LYS A 498 3.124 4.426 10.509 1.00 0.00 O ATOM 788 CB LYS A 498 1.906 7.053 8.914 1.00 0.00 C ATOM 789 CG LYS A 498 2.322 8.085 7.879 1.00 0.00 C ATOM 790 CD LYS A 498 1.915 9.488 8.297 1.00 0.00 C ATOM 791 CE LYS A 498 2.265 10.512 7.229 1.00 0.00 C ATOM 792 NZ LYS A 498 1.104 10.817 6.348 1.00 0.00 N ATOM 0 H LYS A 498 0.913 5.758 7.067 1.00 0.00 H new ATOM 0 HA LYS A 498 3.421 5.649 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.820 7.064 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.315 7.337 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.402 8.045 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.866 7.843 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.843 9.514 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.413 9.750 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 498 2.610 11.430 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 498 3.091 10.137 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 1.431 11.340 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.654 9.929 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 0.415 11.395 6.870 1.00 0.00 H new ATOM 806 N ARG A 499 0.934 4.288 10.006 1.00 0.00 N ATOM 807 CA ARG A 499 0.620 3.413 11.130 1.00 0.00 C ATOM 808 C ARG A 499 1.334 2.073 10.992 1.00 0.00 C ATOM 809 O ARG A 499 1.883 1.547 11.960 1.00 0.00 O ATOM 810 CB ARG A 499 -0.891 3.193 11.224 1.00 0.00 C ATOM 811 CG ARG A 499 -1.314 2.395 12.446 1.00 0.00 C ATOM 812 CD ARG A 499 -1.199 3.218 13.718 1.00 0.00 C ATOM 813 NE ARG A 499 -1.588 2.455 14.901 1.00 0.00 N ATOM 814 CZ ARG A 499 -0.795 1.578 15.513 1.00 0.00 C ATOM 815 NH1 ARG A 499 0.431 1.350 15.057 1.00 0.00 N ATOM 816 NH2 ARG A 499 -1.228 0.927 16.584 1.00 0.00 N ATOM 0 H ARG A 499 0.134 4.525 9.419 1.00 0.00 H new ATOM 0 HA ARG A 499 0.967 3.896 12.043 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.390 4.162 11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -1.231 2.676 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -2.343 2.057 12.322 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.693 1.503 12.532 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -0.173 3.566 13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -1.829 4.104 13.635 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.523 2.603 15.281 1.00 0.00 H new ATOM 0 HH11 ARG A 499 0.770 1.848 14.234 1.00 0.00 H new ATOM 0 HH12 ARG A 499 1.034 0.677 15.530 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -2.169 1.098 16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -0.620 0.255 17.053 1.00 0.00 H new ATOM 830 N LEU A 500 1.321 1.524 9.781 1.00 0.00 N ATOM 831 CA LEU A 500 1.966 0.243 9.515 1.00 0.00 C ATOM 832 C LEU A 500 3.478 0.351 9.684 1.00 0.00 C ATOM 833 O LEU A 500 4.132 -0.592 10.131 1.00 0.00 O ATOM 834 CB LEU A 500 1.633 -0.235 8.101 1.00 0.00 C ATOM 835 CG LEU A 500 2.109 -1.649 7.766 1.00 0.00 C ATOM 836 CD1 LEU A 500 1.292 -2.682 8.526 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.023 -1.898 6.268 1.00 0.00 C ATOM 0 H LEU A 500 0.871 1.946 8.969 1.00 0.00 H new ATOM 0 HA LEU A 500 1.588 -0.483 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 500 0.553 -0.190 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.074 0.459 7.386 1.00 0.00 H new ATOM 0 HG LEU A 500 3.151 -1.743 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.645 -3.682 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 500 1.403 -2.517 9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.241 -2.589 8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.366 -2.909 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.990 -1.785 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.652 -1.179 5.743 1.00 0.00 H new ATOM 849 N ASN A 501 4.027 1.506 9.325 1.00 0.00 N ATOM 850 CA ASN A 501 5.462 1.739 9.437 1.00 0.00 C ATOM 851 C ASN A 501 6.245 0.744 8.581 1.00 0.00 C ATOM 852 O ASN A 501 7.060 -0.024 9.093 1.00 0.00 O ATOM 853 CB ASN A 501 5.904 1.635 10.898 1.00 0.00 C ATOM 854 CG ASN A 501 5.885 2.977 11.604 1.00 0.00 C ATOM 855 OD1 ASN A 501 4.842 3.429 12.076 1.00 0.00 O ATOM 856 ND2 ASN A 501 7.044 3.621 11.680 1.00 0.00 N ATOM 0 H ASN A 501 3.500 2.296 8.954 1.00 0.00 H new ATOM 0 HA ASN A 501 5.671 2.745 9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.249 0.941 11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.910 1.219 10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 501 7.094 4.528 12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.884 3.209 11.274 1.00 0.00 H new ATOM 863 N PRO A 502 6.005 0.746 7.258 1.00 0.00 N ATOM 864 CA PRO A 502 6.691 -0.159 6.330 1.00 0.00 C ATOM 865 C PRO A 502 8.160 0.203 6.149 1.00 0.00 C ATOM 866 O PRO A 502 8.560 1.346 6.369 1.00 0.00 O ATOM 867 CB PRO A 502 5.927 0.032 5.018 1.00 0.00 C ATOM 868 CG PRO A 502 5.356 1.404 5.110 1.00 0.00 C ATOM 869 CD PRO A 502 5.048 1.630 6.564 1.00 0.00 C ATOM 0 HA PRO A 502 6.694 -1.188 6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.588 -0.065 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.143 -0.717 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.064 2.146 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.456 1.493 4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.187 2.673 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.016 1.370 6.801 1.00 0.00 H new ATOM 877 N GLU A 503 8.961 -0.779 5.746 1.00 0.00 N ATOM 878 CA GLU A 503 10.388 -0.562 5.534 1.00 0.00 C ATOM 879 C GLU A 503 10.651 -0.011 4.137 1.00 0.00 C ATOM 880 O GLU A 503 9.798 -0.096 3.255 1.00 0.00 O ATOM 881 CB GLU A 503 11.159 -1.869 5.731 1.00 0.00 C ATOM 882 CG GLU A 503 12.592 -1.667 6.198 1.00 0.00 C ATOM 883 CD GLU A 503 13.325 -2.977 6.423 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.695 -4.045 6.271 1.00 0.00 O ATOM 885 OE2 GLU A 503 14.529 -2.933 6.752 1.00 0.00 O ATOM 0 H GLU A 503 8.647 -1.731 5.560 1.00 0.00 H new ATOM 0 HA GLU A 503 10.732 0.169 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.632 -2.486 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 503 11.167 -2.422 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 503 13.131 -1.076 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 503 12.590 -1.093 7.124 1.00 0.00 H new ATOM 892 N ARG A 504 11.838 0.557 3.944 1.00 0.00 N ATOM 893 CA ARG A 504 12.213 1.124 2.654 1.00 0.00 C ATOM 894 C ARG A 504 13.321 0.305 2.001 1.00 0.00 C ATOM 895 O ARG A 504 14.327 -0.015 2.635 1.00 0.00 O ATOM 896 CB ARG A 504 12.668 2.574 2.825 1.00 0.00 C ATOM 897 CG ARG A 504 11.568 3.504 3.309 1.00 0.00 C ATOM 898 CD ARG A 504 12.066 4.935 3.438 1.00 0.00 C ATOM 899 NE ARG A 504 12.394 5.520 2.140 1.00 0.00 N ATOM 900 CZ ARG A 504 11.483 5.944 1.268 1.00 0.00 C ATOM 901 NH1 ARG A 504 10.189 5.852 1.549 1.00 0.00 N ATOM 902 NH2 ARG A 504 11.867 6.464 0.109 1.00 0.00 N ATOM 0 H ARG A 504 12.556 0.636 4.664 1.00 0.00 H new ATOM 0 HA ARG A 504 11.337 1.099 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.496 2.605 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 504 13.049 2.941 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.729 3.471 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.196 3.159 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.303 5.541 3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.948 4.956 4.078 1.00 0.00 H new ATOM 0 HE ARG A 504 13.378 5.608 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 504 9.887 5.454 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 504 9.496 6.179 0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 504 12.860 6.538 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 504 11.169 6.789 -0.560 1.00 0.00 H new ATOM 916 N LYS A 505 13.129 -0.031 0.729 1.00 0.00 N ATOM 917 CA LYS A 505 14.113 -0.813 -0.013 1.00 0.00 C ATOM 918 C LYS A 505 14.337 -0.225 -1.402 1.00 0.00 C ATOM 919 O LYS A 505 13.440 0.391 -1.978 1.00 0.00 O ATOM 920 CB LYS A 505 13.656 -2.268 -0.128 1.00 0.00 C ATOM 921 CG LYS A 505 13.416 -2.939 1.214 1.00 0.00 C ATOM 922 CD LYS A 505 12.975 -4.383 1.044 1.00 0.00 C ATOM 923 CE LYS A 505 14.150 -5.289 0.712 1.00 0.00 C ATOM 924 NZ LYS A 505 13.742 -6.442 -0.138 1.00 0.00 N ATOM 0 H LYS A 505 12.302 0.226 0.191 1.00 0.00 H new ATOM 0 HA LYS A 505 15.056 -0.779 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.737 -2.306 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.408 -2.834 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.329 -2.904 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 505 12.655 -2.388 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.495 -4.728 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 505 12.230 -4.446 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.918 -4.712 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.595 -5.659 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 14.572 -7.034 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 13.028 -7.007 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 13.341 -6.090 -1.031 1.00 0.00 H new ATOM 938 N MET A 506 15.538 -0.421 -1.936 1.00 0.00 N ATOM 939 CA MET A 506 15.878 0.090 -3.260 1.00 0.00 C ATOM 940 C MET A 506 16.042 -1.052 -4.258 1.00 0.00 C ATOM 941 O MET A 506 17.025 -1.791 -4.217 1.00 0.00 O ATOM 942 CB MET A 506 17.166 0.916 -3.198 1.00 0.00 C ATOM 943 CG MET A 506 18.250 0.290 -2.336 1.00 0.00 C ATOM 944 SD MET A 506 19.750 1.289 -2.274 1.00 0.00 S ATOM 945 CE MET A 506 20.266 1.232 -3.989 1.00 0.00 C ATOM 0 H MET A 506 16.292 -0.929 -1.473 1.00 0.00 H new ATOM 0 HA MET A 506 15.061 0.729 -3.595 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.550 1.051 -4.209 1.00 0.00 H new ATOM 0 HB3 MET A 506 16.933 1.908 -2.811 1.00 0.00 H new ATOM 0 HG2 MET A 506 17.869 0.150 -1.324 1.00 0.00 H new ATOM 0 HG3 MET A 506 18.492 -0.699 -2.725 1.00 0.00 H new ATOM 0 HE1 MET A 506 21.315 1.517 -4.063 1.00 0.00 H new ATOM 0 HE2 MET A 506 20.137 0.221 -4.374 1.00 0.00 H new ATOM 0 HE3 MET A 506 19.660 1.924 -4.574 1.00 0.00 H new ATOM 955 N ILE A 507 15.069 -1.191 -5.153 1.00 0.00 N ATOM 956 CA ILE A 507 15.104 -2.242 -6.164 1.00 0.00 C ATOM 957 C ILE A 507 15.192 -1.651 -7.567 1.00 0.00 C ATOM 958 O ILE A 507 14.488 -0.694 -7.891 1.00 0.00 O ATOM 959 CB ILE A 507 13.858 -3.146 -6.077 1.00 0.00 C ATOM 960 CG1 ILE A 507 13.651 -3.629 -4.640 1.00 0.00 C ATOM 961 CG2 ILE A 507 13.992 -4.328 -7.025 1.00 0.00 C ATOM 962 CD1 ILE A 507 12.355 -4.382 -4.437 1.00 0.00 C ATOM 0 H ILE A 507 14.247 -0.589 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 507 15.993 -2.841 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 507 12.985 -2.565 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 507 14.484 -4.273 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 507 13.671 -2.770 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.104 -4.956 -6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.095 -3.965 -8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 507 14.873 -4.912 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 507 12.275 -4.694 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 507 11.515 -3.734 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 507 12.340 -5.261 -5.081 1.00 0.00 H new ATOM 974 N ASN A 508 16.063 -2.227 -8.394 1.00 0.00 N ATOM 975 CA ASN A 508 16.253 -1.766 -9.769 1.00 0.00 C ATOM 976 C ASN A 508 16.316 -0.241 -9.841 1.00 0.00 C ATOM 977 O ASN A 508 15.687 0.378 -10.700 1.00 0.00 O ATOM 978 CB ASN A 508 15.132 -2.291 -10.670 1.00 0.00 C ATOM 979 CG ASN A 508 13.759 -1.829 -10.222 1.00 0.00 C ATOM 980 OD1 ASN A 508 13.481 -0.630 -10.167 1.00 0.00 O ATOM 981 ND2 ASN A 508 12.891 -2.781 -9.898 1.00 0.00 N ATOM 0 H ASN A 508 16.652 -3.018 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 508 17.206 -2.161 -10.122 1.00 0.00 H new ATOM 0 HB2 ASN A 508 15.307 -1.958 -11.693 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.159 -3.381 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 508 11.952 -2.531 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.164 -3.762 -9.958 1.00 0.00 H new ATOM 988 N ASP A 509 17.079 0.357 -8.932 1.00 0.00 N ATOM 989 CA ASP A 509 17.224 1.808 -8.889 1.00 0.00 C ATOM 990 C ASP A 509 15.879 2.482 -8.638 1.00 0.00 C ATOM 991 O ASP A 509 15.598 3.551 -9.178 1.00 0.00 O ATOM 992 CB ASP A 509 17.829 2.320 -10.197 1.00 0.00 C ATOM 993 CG ASP A 509 19.247 1.828 -10.412 1.00 0.00 C ATOM 994 OD1 ASP A 509 19.866 1.355 -9.435 1.00 0.00 O ATOM 995 OD2 ASP A 509 19.739 1.915 -11.556 1.00 0.00 O ATOM 0 H ASP A 509 17.607 -0.141 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 509 17.894 2.057 -8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.206 1.999 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.822 3.410 -10.195 1.00 0.00 H new ATOM 1000 N LYS A 510 15.052 1.848 -7.812 1.00 0.00 N ATOM 1001 CA LYS A 510 13.737 2.385 -7.485 1.00 0.00 C ATOM 1002 C LYS A 510 13.412 2.164 -6.012 1.00 0.00 C ATOM 1003 O LYS A 510 13.839 1.178 -5.412 1.00 0.00 O ATOM 1004 CB LYS A 510 12.664 1.734 -8.359 1.00 0.00 C ATOM 1005 CG LYS A 510 12.770 2.103 -9.830 1.00 0.00 C ATOM 1006 CD LYS A 510 12.101 3.438 -10.119 1.00 0.00 C ATOM 1007 CE LYS A 510 13.122 4.557 -10.246 1.00 0.00 C ATOM 1008 NZ LYS A 510 12.482 5.857 -10.585 1.00 0.00 N ATOM 0 H LYS A 510 15.270 0.961 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 510 13.751 3.457 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.734 0.651 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.681 2.026 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.820 2.151 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.307 1.324 -10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.523 3.365 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 510 11.398 3.674 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 510 13.671 4.656 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 510 13.849 4.299 -11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 13.212 6.594 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 11.980 5.771 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 11.806 6.117 -9.838 1.00 0.00 H new ATOM 1022 N MET A 511 12.651 3.088 -5.434 1.00 0.00 N ATOM 1023 CA MET A 511 12.268 2.993 -4.030 1.00 0.00 C ATOM 1024 C MET A 511 10.992 2.172 -3.870 1.00 0.00 C ATOM 1025 O MET A 511 9.949 2.514 -4.427 1.00 0.00 O ATOM 1026 CB MET A 511 12.067 4.390 -3.439 1.00 0.00 C ATOM 1027 CG MET A 511 10.932 5.168 -4.086 1.00 0.00 C ATOM 1028 SD MET A 511 10.877 6.889 -3.552 1.00 0.00 S ATOM 1029 CE MET A 511 12.298 7.556 -4.414 1.00 0.00 C ATOM 0 H MET A 511 12.288 3.910 -5.916 1.00 0.00 H new ATOM 0 HA MET A 511 13.072 2.491 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.871 4.298 -2.371 1.00 0.00 H new ATOM 0 HB3 MET A 511 12.992 4.957 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.043 5.131 -5.170 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.984 4.687 -3.846 1.00 0.00 H new ATOM 0 HE1 MET A 511 12.232 8.644 -4.437 1.00 0.00 H new ATOM 0 HE2 MET A 511 13.210 7.259 -3.896 1.00 0.00 H new ATOM 0 HE3 MET A 511 12.318 7.172 -5.434 1.00 0.00 H new ATOM 1039 N HIS A 512 11.084 1.087 -3.108 1.00 0.00 N ATOM 1040 CA HIS A 512 9.937 0.217 -2.875 1.00 0.00 C ATOM 1041 C HIS A 512 9.755 -0.060 -1.386 1.00 0.00 C ATOM 1042 O HIS A 512 10.690 0.086 -0.598 1.00 0.00 O ATOM 1043 CB HIS A 512 10.109 -1.102 -3.631 1.00 0.00 C ATOM 1044 CG HIS A 512 9.936 -0.973 -5.113 1.00 0.00 C ATOM 1045 ND1 HIS A 512 8.831 -1.071 -5.888 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 10.983 -0.713 -5.972 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 9.226 -0.871 -7.188 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 10.528 -0.657 -7.212 1.00 0.00 N flip ATOM 0 H HIS A 512 11.941 0.789 -2.641 1.00 0.00 H new ATOM 0 HA HIS A 512 9.047 0.727 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.101 -1.503 -3.423 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.387 -1.825 -3.251 1.00 0.00 H new ATOM 0 HD1 HIS A 512 7.881 -1.259 -5.566 1.00 0.00 H new ATOM 0 HD2 HIS A 512 12.013 -0.577 -5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 512 8.576 -0.886 -8.051 1.00 0.00 H new ATOM 1057 N PHE A 513 8.546 -0.462 -1.008 1.00 0.00 N ATOM 1058 CA PHE A 513 8.240 -0.761 0.385 1.00 0.00 C ATOM 1059 C PHE A 513 7.995 -2.254 0.578 1.00 0.00 C ATOM 1060 O PHE A 513 7.262 -2.876 -0.190 1.00 0.00 O ATOM 1061 CB PHE A 513 7.014 0.031 0.843 1.00 0.00 C ATOM 1062 CG PHE A 513 7.205 1.520 0.784 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.738 2.207 1.863 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.852 2.232 -0.351 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.915 3.576 1.811 1.00 0.00 C ATOM 1066 CE2 PHE A 513 7.026 3.602 -0.408 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.560 4.275 0.674 1.00 0.00 C ATOM 0 H PHE A 513 7.762 -0.588 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 513 9.098 -0.469 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.162 -0.243 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.768 -0.255 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 513 8.018 1.666 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.436 1.711 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 513 8.331 4.100 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.745 4.146 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.699 5.345 0.631 1.00 0.00 H new ATOM 1077 N SER A 514 8.612 -2.823 1.608 1.00 0.00 N ATOM 1078 CA SER A 514 8.460 -4.243 1.900 1.00 0.00 C ATOM 1079 C SER A 514 8.498 -4.498 3.404 1.00 0.00 C ATOM 1080 O SER A 514 9.314 -3.920 4.121 1.00 0.00 O ATOM 1081 CB SER A 514 9.560 -5.049 1.207 1.00 0.00 C ATOM 1082 OG SER A 514 9.384 -6.439 1.416 1.00 0.00 O ATOM 0 H SER A 514 9.222 -2.322 2.254 1.00 0.00 H new ATOM 0 HA SER A 514 7.490 -4.563 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.553 -4.835 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.534 -4.742 1.587 1.00 0.00 H new ATOM 0 HG SER A 514 10.099 -6.931 0.961 1.00 0.00 H new ATOM 1088 N LEU A 515 7.609 -5.367 3.874 1.00 0.00 N ATOM 1089 CA LEU A 515 7.541 -5.699 5.292 1.00 0.00 C ATOM 1090 C LEU A 515 8.029 -7.121 5.543 1.00 0.00 C ATOM 1091 O LEU A 515 7.821 -8.013 4.722 1.00 0.00 O ATOM 1092 CB LEU A 515 6.108 -5.543 5.806 1.00 0.00 C ATOM 1093 CG LEU A 515 5.744 -4.140 6.296 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.329 -4.122 6.852 1.00 0.00 C ATOM 1095 CD2 LEU A 515 6.739 -3.671 7.346 1.00 0.00 C ATOM 0 H LEU A 515 6.926 -5.854 3.294 1.00 0.00 H new ATOM 0 HA LEU A 515 8.191 -5.010 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.420 -5.822 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.953 -6.248 6.623 1.00 0.00 H new ATOM 0 HG LEU A 515 5.788 -3.454 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.086 -3.117 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 515 3.628 -4.418 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 515 4.257 -4.819 7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 515 6.467 -2.671 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 515 6.725 -4.357 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 515 7.740 -3.648 6.914 1.00 0.00 H new ATOM 1107 N LYS A 516 8.677 -7.325 6.685 1.00 0.00 N ATOM 1108 CA LYS A 516 9.194 -8.640 7.047 1.00 0.00 C ATOM 1109 C LYS A 516 8.496 -9.172 8.294 1.00 0.00 C ATOM 1110 O LYS A 516 8.892 -8.863 9.418 1.00 0.00 O ATOM 1111 CB LYS A 516 10.704 -8.573 7.280 1.00 0.00 C ATOM 1112 CG LYS A 516 11.342 -9.931 7.519 1.00 0.00 C ATOM 1113 CD LYS A 516 12.830 -9.806 7.800 1.00 0.00 C ATOM 1114 CE LYS A 516 13.490 -11.170 7.921 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.207 -12.031 6.739 1.00 0.00 N ATOM 0 H LYS A 516 8.857 -6.597 7.376 1.00 0.00 H new ATOM 0 HA LYS A 516 8.994 -9.322 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 516 11.176 -8.106 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.903 -7.931 8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.852 -10.421 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 516 11.188 -10.565 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 516 13.306 -9.240 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.981 -9.244 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 516 14.567 -11.044 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 516 13.135 -11.666 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 13.886 -12.819 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 12.240 -12.409 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.297 -11.468 5.870 1.00 0.00 H new ATOM 1129 N GLU A 517 7.457 -9.974 8.088 1.00 0.00 N ATOM 1130 CA GLU A 517 6.702 -10.551 9.194 1.00 0.00 C ATOM 1131 C GLU A 517 7.610 -11.374 10.102 1.00 0.00 C ATOM 1132 O GLU A 517 8.024 -10.848 11.157 1.00 0.00 O ATOM 1133 CB GLU A 517 5.568 -11.427 8.660 1.00 0.00 C ATOM 1134 CG GLU A 517 4.653 -11.968 9.747 1.00 0.00 C ATOM 1135 CD GLU A 517 3.792 -10.889 10.375 1.00 0.00 C ATOM 1136 OE1 GLU A 517 3.527 -9.873 9.697 1.00 0.00 O ATOM 1137 OE2 GLU A 517 3.380 -11.061 11.541 1.00 0.00 O ATOM 1138 OXT GLU A 517 7.899 -12.538 9.754 1.00 0.00 O ATOM 0 H GLU A 517 7.118 -10.240 7.163 1.00 0.00 H new ATOM 0 HA GLU A 517 6.278 -9.734 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 517 4.975 -10.848 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 517 5.996 -12.263 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 517 4.010 -12.740 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 517 5.256 -12.443 10.521 1.00 0.00 H new