USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 810 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 463 GLN : amide:sc= 1.21 K(o=2.2,f=0.38) USER MOD Set 1.2: A 541 SER OG : rot 170:sc= 1.02 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD Single : A 451 TYR OH : rot 180:sc= 0 USER MOD Single : A 452 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.15) USER MOD Single : A 453 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 LYS NZ :NH3+ -156:sc= -1.23! (180deg=-3.2!) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0882) USER MOD Single : A 461 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.029) USER MOD Single : A 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 90:sc= 0.487 USER MOD Single : A 481 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.0712 K(o=-0.071,f=-0.85) USER MOD Single : A 501 GLN : amide:sc= -2.3! C(o=-2.3!,f=-6.4!) USER MOD Single : A 506 LYS NZ :NH3+ -167:sc= -0.0181 (180deg=-0.196) USER MOD Single : A 515 ASN : amide:sc= 0.601 K(o=0.6,f=-8.1!) USER MOD Single : A 522 LYS NZ :NH3+ -142:sc= -1.07 (180deg=-3.59!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -1.31 K(o=-1.3,f=0.054) USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 89:sc= 1.21 USER MOD Single : A 534 THR OG1 : rot 67:sc= 0.179 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 536 MET CE :methyl 161:sc= -0.0757 (180deg=-0.491) USER MOD Single : A 539 THR OG1 : rot 77:sc= 0.939 USER MOD Single : A 547 GLN : amide:sc= 1.14 K(o=1.1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 449 -10.313 -14.194 -18.839 1.00 74.33 N ATOM 2 CA GLY A 449 -10.554 -12.990 -18.047 1.00 13.23 C ATOM 3 C GLY A 449 -12.022 -12.656 -18.004 1.00 73.24 C ATOM 4 O GLY A 449 -12.827 -13.328 -18.662 1.00 31.22 O ATOM 0 HA2 GLY A 449 -10.181 -13.137 -17.033 1.00 13.23 H new ATOM 0 HA3 GLY A 449 -10.000 -12.154 -18.473 1.00 13.23 H new ATOM 8 N SER A 450 -12.377 -11.638 -17.218 1.00 71.14 N ATOM 9 CA SER A 450 -13.758 -11.169 -17.070 1.00 25.40 C ATOM 10 C SER A 450 -14.667 -12.242 -16.411 1.00 11.32 C ATOM 11 O SER A 450 -14.182 -13.308 -15.987 1.00 73.44 O ATOM 12 CB SER A 450 -14.310 -10.711 -18.432 1.00 5.34 C ATOM 13 OG SER A 450 -13.492 -9.678 -18.986 1.00 1.12 O ATOM 0 H SER A 450 -11.707 -11.109 -16.660 1.00 71.14 H new ATOM 0 HA SER A 450 -13.756 -10.312 -16.396 1.00 25.40 H new ATOM 0 HB2 SER A 450 -14.350 -11.558 -19.117 1.00 5.34 H new ATOM 0 HB3 SER A 450 -15.331 -10.349 -18.313 1.00 5.34 H new ATOM 0 HG SER A 450 -13.857 -9.401 -19.852 1.00 1.12 H new ATOM 19 N TYR A 451 -15.962 -11.931 -16.291 1.00 2.22 N ATOM 20 CA TYR A 451 -16.984 -12.822 -15.714 1.00 31.43 C ATOM 21 C TYR A 451 -16.894 -12.976 -14.203 1.00 75.41 C ATOM 22 O TYR A 451 -17.895 -12.795 -13.502 1.00 1.00 O ATOM 23 CB TYR A 451 -17.117 -14.159 -16.457 1.00 52.54 C ATOM 24 CG TYR A 451 -17.647 -13.972 -17.858 1.00 22.00 C ATOM 25 CD1 TYR A 451 -19.009 -13.836 -18.078 1.00 23.42 C ATOM 26 CD2 TYR A 451 -16.795 -13.905 -18.954 1.00 40.10 C ATOM 27 CE1 TYR A 451 -19.511 -13.635 -19.341 1.00 61.35 C ATOM 28 CE2 TYR A 451 -17.292 -13.710 -20.228 1.00 32.12 C ATOM 29 CZ TYR A 451 -18.655 -13.573 -20.412 1.00 13.43 C ATOM 30 OH TYR A 451 -19.164 -13.361 -21.674 1.00 5.13 O ATOM 0 H TYR A 451 -16.341 -11.035 -16.598 1.00 2.22 H new ATOM 0 HA TYR A 451 -17.927 -12.302 -15.881 1.00 31.43 H new ATOM 0 HB2 TYR A 451 -16.145 -14.650 -16.499 1.00 52.54 H new ATOM 0 HB3 TYR A 451 -17.783 -14.819 -15.901 1.00 52.54 H new ATOM 0 HD1 TYR A 451 -19.689 -13.889 -17.240 1.00 23.42 H new ATOM 0 HD2 TYR A 451 -15.730 -14.007 -18.808 1.00 40.10 H new ATOM 0 HE1 TYR A 451 -20.575 -13.526 -19.490 1.00 61.35 H new ATOM 0 HE2 TYR A 451 -16.621 -13.665 -21.073 1.00 32.12 H new ATOM 0 HH TYR A 451 -18.430 -13.342 -22.324 1.00 5.13 H new ATOM 40 N ASN A 452 -15.737 -13.296 -13.684 1.00 74.45 N ATOM 41 CA ASN A 452 -15.588 -13.341 -12.249 1.00 41.02 C ATOM 42 C ASN A 452 -15.200 -11.964 -11.753 1.00 14.24 C ATOM 43 O ASN A 452 -14.033 -11.578 -11.748 1.00 10.33 O ATOM 44 CB ASN A 452 -14.634 -14.472 -11.736 1.00 55.13 C ATOM 45 CG ASN A 452 -13.180 -14.377 -12.201 1.00 63.20 C ATOM 46 OD1 ASN A 452 -12.824 -14.873 -13.272 1.00 35.41 O ATOM 47 ND2 ASN A 452 -12.326 -13.795 -11.384 1.00 23.32 N ATOM 0 H ASN A 452 -14.899 -13.525 -14.218 1.00 74.45 H new ATOM 0 HA ASN A 452 -16.551 -13.617 -11.820 1.00 41.02 H new ATOM 0 HB2 ASN A 452 -14.648 -14.467 -10.646 1.00 55.13 H new ATOM 0 HB3 ASN A 452 -15.036 -15.433 -12.056 1.00 55.13 H new ATOM 0 HD21 ASN A 452 -11.337 -13.745 -11.630 1.00 23.32 H new ATOM 0 HD22 ASN A 452 -12.653 -13.394 -10.505 1.00 23.32 H new ATOM 54 N THR A 453 -16.193 -11.196 -11.423 1.00 52.33 N ATOM 55 CA THR A 453 -15.994 -9.860 -10.967 1.00 64.31 C ATOM 56 C THR A 453 -15.480 -9.901 -9.538 1.00 42.23 C ATOM 57 O THR A 453 -14.569 -9.149 -9.161 1.00 33.11 O ATOM 58 CB THR A 453 -17.312 -9.076 -11.055 1.00 73.21 C ATOM 59 OG1 THR A 453 -17.820 -9.184 -12.406 1.00 55.24 O ATOM 60 CG2 THR A 453 -17.092 -7.606 -10.726 1.00 55.22 C ATOM 0 H THR A 453 -17.171 -11.484 -11.464 1.00 52.33 H new ATOM 0 HA THR A 453 -15.260 -9.355 -11.595 1.00 64.31 H new ATOM 0 HB THR A 453 -18.020 -9.490 -10.337 1.00 73.21 H new ATOM 0 HG1 THR A 453 -18.663 -8.690 -12.479 1.00 55.24 H new ATOM 0 HG21 THR A 453 -18.040 -7.072 -10.795 1.00 55.22 H new ATOM 0 HG22 THR A 453 -16.697 -7.515 -9.714 1.00 55.22 H new ATOM 0 HG23 THR A 453 -16.382 -7.177 -11.433 1.00 55.22 H new ATOM 68 N LYS A 454 -16.033 -10.807 -8.767 1.00 60.11 N ATOM 69 CA LYS A 454 -15.613 -10.976 -7.417 1.00 51.21 C ATOM 70 C LYS A 454 -14.576 -12.058 -7.278 1.00 64.10 C ATOM 71 O LYS A 454 -14.386 -12.906 -8.166 1.00 65.35 O ATOM 72 CB LYS A 454 -16.769 -11.270 -6.470 1.00 12.00 C ATOM 73 CG LYS A 454 -17.744 -10.135 -6.281 1.00 44.11 C ATOM 74 CD LYS A 454 -18.826 -10.440 -5.221 1.00 64.32 C ATOM 75 CE LYS A 454 -18.291 -10.578 -3.763 1.00 61.03 C ATOM 76 NZ LYS A 454 -17.430 -11.777 -3.504 1.00 43.02 N ATOM 0 H LYS A 454 -16.779 -11.437 -9.064 1.00 60.11 H new ATOM 0 HA LYS A 454 -15.173 -10.020 -7.135 1.00 51.21 H new ATOM 0 HB2 LYS A 454 -17.313 -12.138 -6.843 1.00 12.00 H new ATOM 0 HB3 LYS A 454 -16.361 -11.544 -5.497 1.00 12.00 H new ATOM 0 HG2 LYS A 454 -17.198 -9.239 -5.987 1.00 44.11 H new ATOM 0 HG3 LYS A 454 -18.227 -9.916 -7.233 1.00 44.11 H new ATOM 0 HD2 LYS A 454 -19.573 -9.646 -5.246 1.00 64.32 H new ATOM 0 HD3 LYS A 454 -19.334 -11.364 -5.496 1.00 64.32 H new ATOM 0 HE2 LYS A 454 -17.720 -9.682 -3.517 1.00 61.03 H new ATOM 0 HE3 LYS A 454 -19.143 -10.610 -3.083 1.00 61.03 H new ATOM 0 HZ1 LYS A 454 -17.459 -12.013 -2.491 1.00 43.02 H new ATOM 0 HZ2 LYS A 454 -17.783 -12.584 -4.057 1.00 43.02 H new ATOM 0 HZ3 LYS A 454 -16.450 -11.568 -3.783 1.00 43.02 H new ATOM 90 N LYS A 455 -13.914 -11.990 -6.181 1.00 13.11 N ATOM 91 CA LYS A 455 -12.923 -12.915 -5.727 1.00 51.33 C ATOM 92 C LYS A 455 -13.173 -13.049 -4.259 1.00 34.32 C ATOM 93 O LYS A 455 -13.989 -12.289 -3.716 1.00 14.40 O ATOM 94 CB LYS A 455 -11.516 -12.319 -5.909 1.00 40.45 C ATOM 95 CG LYS A 455 -11.060 -12.095 -7.337 1.00 53.15 C ATOM 96 CD LYS A 455 -9.756 -11.285 -7.377 1.00 52.14 C ATOM 97 CE LYS A 455 -8.606 -11.944 -6.603 1.00 2.10 C ATOM 98 NZ LYS A 455 -8.178 -13.232 -7.190 1.00 13.10 N ATOM 0 H LYS A 455 -14.058 -11.227 -5.520 1.00 13.11 H new ATOM 0 HA LYS A 455 -12.977 -13.858 -6.272 1.00 51.33 H new ATOM 0 HB2 LYS A 455 -11.479 -11.364 -5.384 1.00 40.45 H new ATOM 0 HB3 LYS A 455 -10.799 -12.979 -5.421 1.00 40.45 H new ATOM 0 HG2 LYS A 455 -10.911 -13.056 -7.830 1.00 53.15 H new ATOM 0 HG3 LYS A 455 -11.836 -11.569 -7.892 1.00 53.15 H new ATOM 0 HD2 LYS A 455 -9.454 -11.148 -8.415 1.00 52.14 H new ATOM 0 HD3 LYS A 455 -9.940 -10.293 -6.965 1.00 52.14 H new ATOM 0 HE2 LYS A 455 -7.756 -11.263 -6.577 1.00 2.10 H new ATOM 0 HE3 LYS A 455 -8.916 -12.107 -5.571 1.00 2.10 H new ATOM 0 HZ1 LYS A 455 -7.400 -13.629 -6.626 1.00 13.10 H new ATOM 0 HZ2 LYS A 455 -8.979 -13.896 -7.192 1.00 13.10 H new ATOM 0 HZ3 LYS A 455 -7.854 -13.078 -8.166 1.00 13.10 H new ATOM 112 N ILE A 456 -12.550 -13.990 -3.609 1.00 71.21 N ATOM 113 CA ILE A 456 -12.582 -13.967 -2.171 1.00 60.45 C ATOM 114 C ILE A 456 -11.568 -12.895 -1.762 1.00 61.34 C ATOM 115 O ILE A 456 -10.374 -13.161 -1.596 1.00 60.15 O ATOM 116 CB ILE A 456 -12.264 -15.345 -1.477 1.00 61.45 C ATOM 117 CG1 ILE A 456 -13.289 -16.458 -1.841 1.00 2.31 C ATOM 118 CG2 ILE A 456 -12.225 -15.174 0.033 1.00 43.33 C ATOM 119 CD1 ILE A 456 -13.272 -16.930 -3.286 1.00 30.44 C ATOM 0 H ILE A 456 -12.030 -14.759 -4.031 1.00 71.21 H new ATOM 0 HA ILE A 456 -13.596 -13.749 -1.837 1.00 60.45 H new ATOM 0 HB ILE A 456 -11.290 -15.662 -1.849 1.00 61.45 H new ATOM 0 HG12 ILE A 456 -13.107 -17.318 -1.196 1.00 2.31 H new ATOM 0 HG13 ILE A 456 -14.290 -16.093 -1.610 1.00 2.31 H new ATOM 0 HG21 ILE A 456 -12.004 -16.133 0.502 1.00 43.33 H new ATOM 0 HG22 ILE A 456 -11.451 -14.454 0.298 1.00 43.33 H new ATOM 0 HG23 ILE A 456 -13.192 -14.813 0.383 1.00 43.33 H new ATOM 0 HD11 ILE A 456 -14.026 -17.705 -3.425 1.00 30.44 H new ATOM 0 HD12 ILE A 456 -13.490 -16.090 -3.946 1.00 30.44 H new ATOM 0 HD13 ILE A 456 -12.288 -17.334 -3.525 1.00 30.44 H new ATOM 131 N GLY A 457 -12.046 -11.681 -1.747 1.00 14.20 N ATOM 132 CA GLY A 457 -11.246 -10.536 -1.554 1.00 70.32 C ATOM 133 C GLY A 457 -11.523 -9.589 -2.698 1.00 73.43 C ATOM 134 O GLY A 457 -12.083 -9.999 -3.723 1.00 60.31 O ATOM 0 H GLY A 457 -13.036 -11.471 -1.874 1.00 14.20 H new ATOM 0 HA2 GLY A 457 -11.478 -10.063 -0.600 1.00 70.32 H new ATOM 0 HA3 GLY A 457 -10.190 -10.806 -1.527 1.00 70.32 H new ATOM 138 N LYS A 458 -11.193 -8.366 -2.549 1.00 33.32 N ATOM 139 CA LYS A 458 -11.411 -7.405 -3.597 1.00 3.20 C ATOM 140 C LYS A 458 -10.163 -6.698 -3.969 1.00 71.11 C ATOM 141 O LYS A 458 -9.272 -6.521 -3.158 1.00 31.24 O ATOM 142 CB LYS A 458 -12.376 -6.310 -3.197 1.00 42.05 C ATOM 143 CG LYS A 458 -13.800 -6.684 -2.954 1.00 43.21 C ATOM 144 CD LYS A 458 -14.628 -5.418 -2.713 1.00 2.45 C ATOM 145 CE LYS A 458 -14.630 -4.490 -3.946 1.00 53.13 C ATOM 146 NZ LYS A 458 -15.266 -5.128 -5.122 1.00 2.20 N ATOM 0 H LYS A 458 -10.764 -7.986 -1.705 1.00 33.32 H new ATOM 0 HA LYS A 458 -11.807 -7.997 -4.422 1.00 3.20 H new ATOM 0 HB2 LYS A 458 -11.994 -5.844 -2.289 1.00 42.05 H new ATOM 0 HB3 LYS A 458 -12.359 -5.549 -3.977 1.00 42.05 H new ATOM 0 HG2 LYS A 458 -14.194 -7.231 -3.810 1.00 43.21 H new ATOM 0 HG3 LYS A 458 -13.871 -7.347 -2.092 1.00 43.21 H new ATOM 0 HD2 LYS A 458 -15.653 -5.696 -2.466 1.00 2.45 H new ATOM 0 HD3 LYS A 458 -14.227 -4.880 -1.854 1.00 2.45 H new ATOM 0 HE2 LYS A 458 -15.158 -3.568 -3.704 1.00 53.13 H new ATOM 0 HE3 LYS A 458 -13.605 -4.214 -4.194 1.00 53.13 H new ATOM 0 HZ1 LYS A 458 -15.368 -4.428 -5.884 1.00 2.20 H new ATOM 0 HZ2 LYS A 458 -14.673 -5.915 -5.453 1.00 2.20 H new ATOM 0 HZ3 LYS A 458 -16.204 -5.489 -4.856 1.00 2.20 H new ATOM 160 N ARG A 459 -10.119 -6.285 -5.187 1.00 3.01 N ATOM 161 CA ARG A 459 -9.125 -5.372 -5.644 1.00 62.44 C ATOM 162 C ARG A 459 -9.823 -4.102 -6.065 1.00 0.10 C ATOM 163 O ARG A 459 -10.757 -4.139 -6.866 1.00 5.14 O ATOM 164 CB ARG A 459 -8.273 -5.938 -6.764 1.00 43.12 C ATOM 165 CG ARG A 459 -7.329 -7.039 -6.327 1.00 15.43 C ATOM 166 CD ARG A 459 -6.435 -7.449 -7.472 1.00 53.24 C ATOM 167 NE ARG A 459 -5.412 -8.415 -7.069 1.00 0.04 N ATOM 168 CZ ARG A 459 -4.334 -8.741 -7.799 1.00 25.11 C ATOM 169 NH1 ARG A 459 -4.146 -8.199 -9.006 1.00 23.44 N ATOM 170 NH2 ARG A 459 -3.451 -9.604 -7.321 1.00 50.42 N ATOM 0 H ARG A 459 -10.781 -6.575 -5.906 1.00 3.01 H new ATOM 0 HA ARG A 459 -8.427 -5.171 -4.831 1.00 62.44 H new ATOM 0 HB2 ARG A 459 -8.928 -6.324 -7.545 1.00 43.12 H new ATOM 0 HB3 ARG A 459 -7.691 -5.130 -7.207 1.00 43.12 H new ATOM 0 HG2 ARG A 459 -6.723 -6.696 -5.489 1.00 15.43 H new ATOM 0 HG3 ARG A 459 -7.900 -7.899 -5.977 1.00 15.43 H new ATOM 0 HD2 ARG A 459 -7.044 -7.880 -8.267 1.00 53.24 H new ATOM 0 HD3 ARG A 459 -5.951 -6.564 -7.885 1.00 53.24 H new ATOM 0 HE ARG A 459 -5.527 -8.875 -6.166 1.00 0.04 H new ATOM 0 HH11 ARG A 459 -4.824 -7.533 -9.377 1.00 23.44 H new ATOM 0 HH12 ARG A 459 -3.325 -8.451 -9.556 1.00 23.44 H new ATOM 0 HH21 ARG A 459 -3.591 -10.019 -6.400 1.00 50.42 H new ATOM 0 HH22 ARG A 459 -2.631 -9.853 -7.874 1.00 50.42 H new ATOM 184 N LEU A 460 -9.395 -2.996 -5.525 1.00 5.21 N ATOM 185 CA LEU A 460 -10.089 -1.736 -5.733 1.00 3.24 C ATOM 186 C LEU A 460 -9.176 -0.733 -6.288 1.00 11.31 C ATOM 187 O LEU A 460 -8.009 -0.667 -5.907 1.00 52.42 O ATOM 188 CB LEU A 460 -10.699 -1.125 -4.434 1.00 2.10 C ATOM 189 CG LEU A 460 -11.757 -1.917 -3.671 1.00 45.50 C ATOM 190 CD1 LEU A 460 -11.150 -3.122 -3.027 1.00 4.12 C ATOM 191 CD2 LEU A 460 -12.443 -1.041 -2.635 1.00 3.32 C ATOM 0 H LEU A 460 -8.566 -2.931 -4.934 1.00 5.21 H new ATOM 0 HA LEU A 460 -10.902 -1.976 -6.418 1.00 3.24 H new ATOM 0 HB2 LEU A 460 -9.877 -0.926 -3.746 1.00 2.10 H new ATOM 0 HB3 LEU A 460 -11.135 -0.161 -4.697 1.00 2.10 H new ATOM 0 HG LEU A 460 -12.511 -2.253 -4.383 1.00 45.50 H new ATOM 0 HD11 LEU A 460 -11.920 -3.673 -2.488 1.00 4.12 H new ATOM 0 HD12 LEU A 460 -10.714 -3.763 -3.793 1.00 4.12 H new ATOM 0 HD13 LEU A 460 -10.373 -2.809 -2.330 1.00 4.12 H new ATOM 0 HD21 LEU A 460 -13.193 -1.626 -2.103 1.00 3.32 H new ATOM 0 HD22 LEU A 460 -11.703 -0.669 -1.926 1.00 3.32 H new ATOM 0 HD23 LEU A 460 -12.925 -0.199 -3.132 1.00 3.32 H new ATOM 203 N ASN A 461 -9.690 0.043 -7.160 1.00 3.24 N ATOM 204 CA ASN A 461 -8.952 1.131 -7.726 1.00 45.33 C ATOM 205 C ASN A 461 -9.326 2.410 -7.000 1.00 35.44 C ATOM 206 O ASN A 461 -10.482 2.853 -7.014 1.00 70.23 O ATOM 207 CB ASN A 461 -9.116 1.232 -9.270 1.00 22.12 C ATOM 208 CG ASN A 461 -10.558 1.331 -9.758 1.00 32.03 C ATOM 209 OD1 ASN A 461 -11.111 2.418 -9.901 1.00 15.23 O ATOM 210 ND2 ASN A 461 -11.161 0.194 -10.050 1.00 4.24 N ATOM 0 H ASN A 461 -10.643 -0.049 -7.513 1.00 3.24 H new ATOM 0 HA ASN A 461 -7.887 0.950 -7.581 1.00 45.33 H new ATOM 0 HB2 ASN A 461 -8.568 2.106 -9.623 1.00 22.12 H new ATOM 0 HB3 ASN A 461 -8.652 0.358 -9.728 1.00 22.12 H new ATOM 0 HD21 ASN A 461 -12.117 0.200 -10.407 1.00 4.24 H new ATOM 0 HD22 ASN A 461 -10.671 -0.691 -9.919 1.00 4.24 H new ATOM 217 N ILE A 462 -8.366 2.955 -6.329 1.00 61.13 N ATOM 218 CA ILE A 462 -8.520 4.131 -5.519 1.00 14.14 C ATOM 219 C ILE A 462 -7.623 5.232 -6.051 1.00 72.11 C ATOM 220 O ILE A 462 -6.454 5.012 -6.277 1.00 62.51 O ATOM 221 CB ILE A 462 -8.129 3.801 -4.044 1.00 72.12 C ATOM 222 CG1 ILE A 462 -9.100 2.773 -3.433 1.00 41.50 C ATOM 223 CG2 ILE A 462 -8.051 5.049 -3.192 1.00 52.01 C ATOM 224 CD1 ILE A 462 -8.812 2.434 -1.981 1.00 70.21 C ATOM 0 H ILE A 462 -7.416 2.585 -6.326 1.00 61.13 H new ATOM 0 HA ILE A 462 -9.558 4.463 -5.552 1.00 14.14 H new ATOM 0 HB ILE A 462 -7.133 3.358 -4.062 1.00 72.12 H new ATOM 0 HG12 ILE A 462 -10.116 3.159 -3.510 1.00 41.50 H new ATOM 0 HG13 ILE A 462 -9.061 1.857 -4.023 1.00 41.50 H new ATOM 0 HG21 ILE A 462 -7.776 4.777 -2.173 1.00 52.01 H new ATOM 0 HG22 ILE A 462 -7.300 5.724 -3.603 1.00 52.01 H new ATOM 0 HG23 ILE A 462 -9.021 5.547 -3.186 1.00 52.01 H new ATOM 0 HD11 ILE A 462 -9.540 1.704 -1.626 1.00 70.21 H new ATOM 0 HD12 ILE A 462 -7.809 2.016 -1.897 1.00 70.21 H new ATOM 0 HD13 ILE A 462 -8.880 3.338 -1.376 1.00 70.21 H new ATOM 236 N GLN A 463 -8.164 6.395 -6.260 1.00 34.14 N ATOM 237 CA GLN A 463 -7.380 7.489 -6.772 1.00 71.12 C ATOM 238 C GLN A 463 -7.262 8.642 -5.796 1.00 72.34 C ATOM 239 O GLN A 463 -8.258 9.132 -5.257 1.00 52.21 O ATOM 240 CB GLN A 463 -7.879 7.933 -8.144 1.00 34.11 C ATOM 241 CG GLN A 463 -7.553 6.932 -9.239 1.00 65.33 C ATOM 242 CD GLN A 463 -8.142 7.287 -10.578 1.00 10.02 C ATOM 243 OE1 GLN A 463 -9.204 7.906 -10.665 1.00 23.44 O ATOM 244 NE2 GLN A 463 -7.473 6.903 -11.621 1.00 72.25 N ATOM 0 H GLN A 463 -9.145 6.615 -6.085 1.00 34.14 H new ATOM 0 HA GLN A 463 -6.364 7.115 -6.901 1.00 71.12 H new ATOM 0 HB2 GLN A 463 -8.958 8.082 -8.103 1.00 34.11 H new ATOM 0 HB3 GLN A 463 -7.434 8.896 -8.394 1.00 34.11 H new ATOM 0 HG2 GLN A 463 -6.470 6.854 -9.337 1.00 65.33 H new ATOM 0 HG3 GLN A 463 -7.917 5.949 -8.941 1.00 65.33 H new ATOM 0 HE21 GLN A 463 -6.597 6.392 -11.506 1.00 72.25 H new ATOM 0 HE22 GLN A 463 -7.822 7.112 -12.556 1.00 72.25 H new ATOM 253 N LEU A 464 -6.028 9.048 -5.558 1.00 60.13 N ATOM 254 CA LEU A 464 -5.705 10.158 -4.679 1.00 32.43 C ATOM 255 C LEU A 464 -5.073 11.261 -5.468 1.00 43.52 C ATOM 256 O LEU A 464 -4.227 11.007 -6.313 1.00 0.54 O ATOM 257 CB LEU A 464 -4.732 9.731 -3.574 1.00 15.30 C ATOM 258 CG LEU A 464 -5.281 8.894 -2.401 1.00 31.53 C ATOM 259 CD1 LEU A 464 -6.339 9.650 -1.603 1.00 4.51 C ATOM 260 CD2 LEU A 464 -5.796 7.554 -2.828 1.00 22.43 C ATOM 0 H LEU A 464 -5.208 8.609 -5.977 1.00 60.13 H new ATOM 0 HA LEU A 464 -6.634 10.498 -4.221 1.00 32.43 H new ATOM 0 HB2 LEU A 464 -3.928 9.162 -4.041 1.00 15.30 H new ATOM 0 HB3 LEU A 464 -4.284 10.634 -3.158 1.00 15.30 H new ATOM 0 HG LEU A 464 -4.428 8.714 -1.747 1.00 31.53 H new ATOM 0 HD11 LEU A 464 -6.697 9.022 -0.787 1.00 4.51 H new ATOM 0 HD12 LEU A 464 -5.904 10.562 -1.195 1.00 4.51 H new ATOM 0 HD13 LEU A 464 -7.173 9.907 -2.256 1.00 4.51 H new ATOM 0 HD21 LEU A 464 -6.168 7.013 -1.958 1.00 22.43 H new ATOM 0 HD22 LEU A 464 -6.605 7.687 -3.546 1.00 22.43 H new ATOM 0 HD23 LEU A 464 -4.990 6.985 -3.291 1.00 22.43 H new ATOM 272 N LYS A 465 -5.459 12.463 -5.187 1.00 64.41 N ATOM 273 CA LYS A 465 -4.982 13.586 -5.874 1.00 75.42 C ATOM 274 C LYS A 465 -4.049 14.343 -4.977 1.00 51.12 C ATOM 275 O LYS A 465 -4.309 14.501 -3.782 1.00 52.25 O ATOM 276 CB LYS A 465 -6.135 14.478 -6.247 1.00 14.14 C ATOM 277 CG LYS A 465 -5.739 15.654 -7.126 1.00 23.12 C ATOM 278 CD LYS A 465 -6.855 16.659 -7.233 1.00 34.33 C ATOM 279 CE LYS A 465 -7.153 17.220 -5.867 1.00 24.10 C ATOM 280 NZ LYS A 465 -8.207 18.244 -5.883 1.00 41.21 N ATOM 0 H LYS A 465 -6.132 12.681 -4.452 1.00 64.41 H new ATOM 0 HA LYS A 465 -4.461 13.268 -6.777 1.00 75.42 H new ATOM 0 HB2 LYS A 465 -6.888 13.885 -6.766 1.00 14.14 H new ATOM 0 HB3 LYS A 465 -6.599 14.857 -5.336 1.00 14.14 H new ATOM 0 HG2 LYS A 465 -4.852 16.135 -6.715 1.00 23.12 H new ATOM 0 HG3 LYS A 465 -5.474 15.294 -8.120 1.00 23.12 H new ATOM 0 HD2 LYS A 465 -6.573 17.461 -7.915 1.00 34.33 H new ATOM 0 HD3 LYS A 465 -7.746 16.187 -7.647 1.00 34.33 H new ATOM 0 HE2 LYS A 465 -7.453 16.408 -5.205 1.00 24.10 H new ATOM 0 HE3 LYS A 465 -6.242 17.651 -5.451 1.00 24.10 H new ATOM 0 HZ1 LYS A 465 -8.368 18.592 -4.916 1.00 41.21 H new ATOM 0 HZ2 LYS A 465 -7.914 19.035 -6.491 1.00 41.21 H new ATOM 0 HZ3 LYS A 465 -9.087 17.831 -6.253 1.00 41.21 H new ATOM 294 N LYS A 466 -2.961 14.754 -5.520 1.00 25.15 N ATOM 295 CA LYS A 466 -2.029 15.595 -4.812 1.00 44.35 C ATOM 296 C LYS A 466 -2.664 16.935 -4.418 1.00 1.01 C ATOM 297 O LYS A 466 -2.803 17.849 -5.233 1.00 55.34 O ATOM 298 CB LYS A 466 -0.724 15.808 -5.590 1.00 51.34 C ATOM 299 CG LYS A 466 0.214 16.785 -4.894 1.00 24.23 C ATOM 300 CD LYS A 466 1.527 16.981 -5.619 1.00 2.51 C ATOM 301 CE LYS A 466 2.457 15.795 -5.482 1.00 51.41 C ATOM 302 NZ LYS A 466 3.762 16.063 -6.111 1.00 43.13 N ATOM 0 H LYS A 466 -2.678 14.523 -6.472 1.00 25.15 H new ATOM 0 HA LYS A 466 -1.770 15.065 -3.895 1.00 44.35 H new ATOM 0 HB2 LYS A 466 -0.219 14.850 -5.716 1.00 51.34 H new ATOM 0 HB3 LYS A 466 -0.956 16.180 -6.588 1.00 51.34 H new ATOM 0 HG2 LYS A 466 -0.285 17.749 -4.796 1.00 24.23 H new ATOM 0 HG3 LYS A 466 0.415 16.427 -3.885 1.00 24.23 H new ATOM 0 HD2 LYS A 466 1.330 17.162 -6.676 1.00 2.51 H new ATOM 0 HD3 LYS A 466 2.022 17.871 -5.230 1.00 2.51 H new ATOM 0 HE2 LYS A 466 2.600 15.562 -4.427 1.00 51.41 H new ATOM 0 HE3 LYS A 466 2.002 14.918 -5.943 1.00 51.41 H new ATOM 0 HZ1 LYS A 466 4.378 15.232 -6.001 1.00 43.13 H new ATOM 0 HZ2 LYS A 466 3.626 16.261 -7.123 1.00 43.13 H new ATOM 0 HZ3 LYS A 466 4.205 16.885 -5.654 1.00 43.13 H new ATOM 316 N GLY A 467 -3.092 17.002 -3.186 1.00 24.14 N ATOM 317 CA GLY A 467 -3.640 18.194 -2.626 1.00 21.12 C ATOM 318 C GLY A 467 -2.977 18.445 -1.314 1.00 35.14 C ATOM 319 O GLY A 467 -2.739 17.487 -0.570 1.00 61.51 O ATOM 0 H GLY A 467 -3.067 16.214 -2.539 1.00 24.14 H new ATOM 0 HA2 GLY A 467 -3.481 19.037 -3.299 1.00 21.12 H new ATOM 0 HA3 GLY A 467 -4.717 18.091 -2.493 1.00 21.12 H new ATOM 323 N THR A 468 -2.667 19.704 -1.031 1.00 23.41 N ATOM 324 CA THR A 468 -1.924 20.145 0.159 1.00 23.14 C ATOM 325 C THR A 468 -0.573 19.404 0.366 1.00 44.35 C ATOM 326 O THR A 468 0.470 19.923 -0.027 1.00 2.21 O ATOM 327 CB THR A 468 -2.790 20.329 1.485 1.00 20.12 C ATOM 328 OG1 THR A 468 -1.962 20.730 2.580 1.00 32.12 O ATOM 329 CG2 THR A 468 -3.582 19.089 1.882 1.00 62.22 C ATOM 0 H THR A 468 -2.932 20.478 -1.640 1.00 23.41 H new ATOM 0 HA THR A 468 -1.646 21.171 -0.082 1.00 23.14 H new ATOM 0 HB THR A 468 -3.514 21.109 1.251 1.00 20.12 H new ATOM 0 HG1 THR A 468 -2.512 20.839 3.383 1.00 32.12 H new ATOM 0 HG21 THR A 468 -4.145 19.293 2.793 1.00 62.22 H new ATOM 0 HG22 THR A 468 -4.272 18.826 1.080 1.00 62.22 H new ATOM 0 HG23 THR A 468 -2.896 18.260 2.057 1.00 62.22 H new ATOM 337 N GLU A 469 -0.583 18.205 0.942 1.00 62.23 N ATOM 338 CA GLU A 469 0.655 17.455 1.114 1.00 44.34 C ATOM 339 C GLU A 469 0.721 16.296 0.146 1.00 1.21 C ATOM 340 O GLU A 469 1.751 15.613 0.029 1.00 33.14 O ATOM 341 CB GLU A 469 0.817 16.938 2.527 1.00 33.21 C ATOM 342 CG GLU A 469 0.788 17.996 3.595 1.00 62.11 C ATOM 343 CD GLU A 469 1.224 17.442 4.911 1.00 63.33 C ATOM 344 OE1 GLU A 469 0.513 16.611 5.480 1.00 13.12 O ATOM 345 OE2 GLU A 469 2.339 17.793 5.363 1.00 53.33 O ATOM 0 H GLU A 469 -1.420 17.739 1.292 1.00 62.23 H new ATOM 0 HA GLU A 469 1.471 18.148 0.909 1.00 44.34 H new ATOM 0 HB2 GLU A 469 0.024 16.218 2.728 1.00 33.21 H new ATOM 0 HB3 GLU A 469 1.762 16.399 2.595 1.00 33.21 H new ATOM 0 HG2 GLU A 469 1.440 18.822 3.311 1.00 62.11 H new ATOM 0 HG3 GLU A 469 -0.220 18.401 3.683 1.00 62.11 H new ATOM 352 N GLY A 470 -0.373 16.078 -0.540 1.00 43.41 N ATOM 353 CA GLY A 470 -0.490 14.978 -1.452 1.00 1.54 C ATOM 354 C GLY A 470 -0.494 13.662 -0.739 1.00 2.54 C ATOM 355 O GLY A 470 -0.794 13.630 0.437 1.00 72.43 O ATOM 0 H GLY A 470 -1.207 16.662 -0.479 1.00 43.41 H new ATOM 0 HA2 GLY A 470 -1.409 15.081 -2.030 1.00 1.54 H new ATOM 0 HA3 GLY A 470 0.337 15.004 -2.161 1.00 1.54 H new ATOM 359 N LEU A 471 -0.130 12.592 -1.441 1.00 52.15 N ATOM 360 CA LEU A 471 -0.264 11.202 -0.958 1.00 63.12 C ATOM 361 C LEU A 471 0.177 10.995 0.472 1.00 62.42 C ATOM 362 O LEU A 471 1.345 10.766 0.768 1.00 62.25 O ATOM 363 CB LEU A 471 0.350 10.155 -1.918 1.00 12.51 C ATOM 364 CG LEU A 471 -0.361 9.957 -3.284 1.00 53.32 C ATOM 365 CD1 LEU A 471 -0.437 11.230 -4.104 1.00 11.21 C ATOM 366 CD2 LEU A 471 0.336 8.889 -4.067 1.00 42.15 C ATOM 0 H LEU A 471 0.273 12.657 -2.376 1.00 52.15 H new ATOM 0 HA LEU A 471 -1.340 11.027 -0.957 1.00 63.12 H new ATOM 0 HB2 LEU A 471 1.385 10.437 -2.111 1.00 12.51 H new ATOM 0 HB3 LEU A 471 0.372 9.194 -1.404 1.00 12.51 H new ATOM 0 HG LEU A 471 -1.387 9.659 -3.068 1.00 53.32 H new ATOM 0 HD11 LEU A 471 -0.945 11.026 -5.047 1.00 11.21 H new ATOM 0 HD12 LEU A 471 -0.992 11.987 -3.550 1.00 11.21 H new ATOM 0 HD13 LEU A 471 0.571 11.593 -4.306 1.00 11.21 H new ATOM 0 HD21 LEU A 471 -0.166 8.753 -5.025 1.00 42.15 H new ATOM 0 HD22 LEU A 471 1.372 9.181 -4.239 1.00 42.15 H new ATOM 0 HD23 LEU A 471 0.311 7.953 -3.509 1.00 42.15 H new ATOM 378 N GLY A 472 -0.798 11.078 1.350 1.00 13.23 N ATOM 379 CA GLY A 472 -0.570 10.988 2.747 1.00 52.40 C ATOM 380 C GLY A 472 -0.830 9.619 3.247 1.00 51.25 C ATOM 381 O GLY A 472 -1.762 9.391 3.999 1.00 0.15 O ATOM 0 H GLY A 472 -1.777 11.211 1.096 1.00 13.23 H new ATOM 0 HA2 GLY A 472 0.460 11.269 2.968 1.00 52.40 H new ATOM 0 HA3 GLY A 472 -1.213 11.696 3.269 1.00 52.40 H new ATOM 385 N PHE A 473 -0.039 8.715 2.799 1.00 64.34 N ATOM 386 CA PHE A 473 -0.098 7.358 3.220 1.00 41.14 C ATOM 387 C PHE A 473 1.229 6.700 3.026 1.00 61.23 C ATOM 388 O PHE A 473 1.987 7.064 2.131 1.00 20.33 O ATOM 389 CB PHE A 473 -1.261 6.575 2.573 1.00 3.23 C ATOM 390 CG PHE A 473 -1.320 6.574 1.071 1.00 3.41 C ATOM 391 CD1 PHE A 473 -1.844 7.664 0.397 1.00 61.32 C ATOM 392 CD2 PHE A 473 -0.897 5.476 0.335 1.00 33.32 C ATOM 393 CE1 PHE A 473 -1.943 7.667 -0.967 1.00 75.15 C ATOM 394 CE2 PHE A 473 -0.996 5.481 -1.044 1.00 52.12 C ATOM 395 CZ PHE A 473 -1.521 6.583 -1.686 1.00 31.23 C ATOM 0 H PHE A 473 0.689 8.900 2.109 1.00 64.34 H new ATOM 0 HA PHE A 473 -0.321 7.350 4.287 1.00 41.14 H new ATOM 0 HB2 PHE A 473 -1.205 5.541 2.912 1.00 3.23 H new ATOM 0 HB3 PHE A 473 -2.198 6.984 2.950 1.00 3.23 H new ATOM 0 HD1 PHE A 473 -2.180 8.525 0.957 1.00 61.32 H new ATOM 0 HD2 PHE A 473 -0.489 4.614 0.842 1.00 33.32 H new ATOM 0 HE1 PHE A 473 -2.355 8.526 -1.476 1.00 75.15 H new ATOM 0 HE2 PHE A 473 -0.664 4.627 -1.615 1.00 52.12 H new ATOM 0 HZ PHE A 473 -1.599 6.590 -2.763 1.00 31.23 H new ATOM 405 N SER A 474 1.524 5.784 3.883 1.00 35.13 N ATOM 406 CA SER A 474 2.771 5.079 3.857 1.00 13.53 C ATOM 407 C SER A 474 2.507 3.589 3.833 1.00 12.03 C ATOM 408 O SER A 474 1.398 3.147 4.166 1.00 10.12 O ATOM 409 CB SER A 474 3.595 5.464 5.081 1.00 33.43 C ATOM 410 OG SER A 474 3.825 6.868 5.102 1.00 11.02 O ATOM 0 H SER A 474 0.899 5.495 4.636 1.00 35.13 H new ATOM 0 HA SER A 474 3.332 5.346 2.962 1.00 13.53 H new ATOM 0 HB2 SER A 474 3.073 5.161 5.989 1.00 33.43 H new ATOM 0 HB3 SER A 474 4.547 4.933 5.068 1.00 33.43 H new ATOM 0 HG SER A 474 4.353 7.101 5.894 1.00 11.02 H new ATOM 416 N ILE A 475 3.496 2.827 3.464 1.00 23.32 N ATOM 417 CA ILE A 475 3.363 1.390 3.345 1.00 51.41 C ATOM 418 C ILE A 475 4.318 0.659 4.272 1.00 21.41 C ATOM 419 O ILE A 475 5.345 1.195 4.668 1.00 3.21 O ATOM 420 CB ILE A 475 3.607 0.922 1.896 1.00 51.02 C ATOM 421 CG1 ILE A 475 4.934 1.480 1.361 1.00 40.40 C ATOM 422 CG2 ILE A 475 2.428 1.280 0.994 1.00 43.12 C ATOM 423 CD1 ILE A 475 5.278 1.022 -0.034 1.00 5.35 C ATOM 0 H ILE A 475 4.425 3.180 3.234 1.00 23.32 H new ATOM 0 HA ILE A 475 2.340 1.148 3.632 1.00 51.41 H new ATOM 0 HB ILE A 475 3.687 -0.165 1.895 1.00 51.02 H new ATOM 0 HG12 ILE A 475 4.889 2.569 1.373 1.00 40.40 H new ATOM 0 HG13 ILE A 475 5.738 1.187 2.036 1.00 40.40 H new ATOM 0 HG21 ILE A 475 2.629 0.937 -0.021 1.00 43.12 H new ATOM 0 HG22 ILE A 475 1.525 0.798 1.367 1.00 43.12 H new ATOM 0 HG23 ILE A 475 2.287 2.361 0.991 1.00 43.12 H new ATOM 0 HD11 ILE A 475 6.229 1.461 -0.337 1.00 5.35 H new ATOM 0 HD12 ILE A 475 5.358 -0.065 -0.051 1.00 5.35 H new ATOM 0 HD13 ILE A 475 4.496 1.339 -0.724 1.00 5.35 H new ATOM 435 N THR A 476 3.963 -0.554 4.618 1.00 22.02 N ATOM 436 CA THR A 476 4.789 -1.374 5.460 1.00 74.02 C ATOM 437 C THR A 476 4.862 -2.800 4.904 1.00 41.40 C ATOM 438 O THR A 476 3.839 -3.387 4.518 1.00 31.24 O ATOM 439 CB THR A 476 4.289 -1.389 6.948 1.00 51.11 C ATOM 440 OG1 THR A 476 5.180 -2.164 7.767 1.00 12.24 O ATOM 441 CG2 THR A 476 2.868 -1.944 7.068 1.00 2.13 C ATOM 0 H THR A 476 3.093 -0.998 4.322 1.00 22.02 H new ATOM 0 HA THR A 476 5.788 -0.938 5.461 1.00 74.02 H new ATOM 0 HB THR A 476 4.278 -0.356 7.295 1.00 51.11 H new ATOM 0 HG1 THR A 476 4.857 -2.164 8.692 1.00 12.24 H new ATOM 0 HG21 THR A 476 2.562 -1.936 8.114 1.00 2.13 H new ATOM 0 HG22 THR A 476 2.185 -1.325 6.485 1.00 2.13 H new ATOM 0 HG23 THR A 476 2.843 -2.966 6.690 1.00 2.13 H new ATOM 449 N SER A 477 6.062 -3.305 4.772 1.00 61.32 N ATOM 450 CA SER A 477 6.268 -4.660 4.389 1.00 75.21 C ATOM 451 C SER A 477 7.475 -5.195 5.133 1.00 12.40 C ATOM 452 O SER A 477 8.533 -4.554 5.164 1.00 61.24 O ATOM 453 CB SER A 477 6.466 -4.793 2.870 1.00 40.42 C ATOM 454 OG SER A 477 6.530 -6.158 2.473 1.00 4.31 O ATOM 0 H SER A 477 6.921 -2.778 4.930 1.00 61.32 H new ATOM 0 HA SER A 477 5.383 -5.241 4.647 1.00 75.21 H new ATOM 0 HB2 SER A 477 5.645 -4.299 2.350 1.00 40.42 H new ATOM 0 HB3 SER A 477 7.383 -4.283 2.575 1.00 40.42 H new ATOM 0 HG SER A 477 5.629 -6.480 2.264 1.00 4.31 H new ATOM 460 N ARG A 478 7.320 -6.329 5.727 1.00 72.21 N ATOM 461 CA ARG A 478 8.397 -7.012 6.399 1.00 22.42 C ATOM 462 C ARG A 478 8.464 -8.397 5.838 1.00 64.31 C ATOM 463 O ARG A 478 8.737 -9.392 6.546 1.00 24.21 O ATOM 464 CB ARG A 478 8.179 -7.004 7.903 1.00 51.15 C ATOM 465 CG ARG A 478 8.240 -5.606 8.477 1.00 50.42 C ATOM 466 CD ARG A 478 8.121 -5.604 9.964 1.00 2.11 C ATOM 467 NE ARG A 478 8.202 -4.241 10.499 1.00 31.51 N ATOM 468 CZ ARG A 478 8.083 -3.910 11.781 1.00 22.21 C ATOM 469 NH1 ARG A 478 7.919 -4.855 12.706 1.00 14.43 N ATOM 470 NH2 ARG A 478 8.136 -2.633 12.142 1.00 31.11 N ATOM 0 H ARG A 478 6.429 -6.825 5.766 1.00 72.21 H new ATOM 0 HA ARG A 478 9.349 -6.509 6.232 1.00 22.42 H new ATOM 0 HB2 ARG A 478 7.210 -7.448 8.131 1.00 51.15 H new ATOM 0 HB3 ARG A 478 8.935 -7.626 8.382 1.00 51.15 H new ATOM 0 HG2 ARG A 478 9.181 -5.137 8.188 1.00 50.42 H new ATOM 0 HG3 ARG A 478 7.439 -5.004 8.049 1.00 50.42 H new ATOM 0 HD2 ARG A 478 7.174 -6.057 10.257 1.00 2.11 H new ATOM 0 HD3 ARG A 478 8.913 -6.215 10.396 1.00 2.11 H new ATOM 0 HE ARG A 478 8.363 -3.485 9.833 1.00 31.51 H new ATOM 0 HH11 ARG A 478 7.884 -5.837 12.432 1.00 14.43 H new ATOM 0 HH12 ARG A 478 7.828 -4.597 13.689 1.00 14.43 H new ATOM 0 HH21 ARG A 478 8.268 -1.909 11.436 1.00 31.11 H new ATOM 0 HH22 ARG A 478 8.045 -2.377 13.125 1.00 31.11 H new ATOM 484 N ASP A 479 8.233 -8.428 4.522 1.00 61.02 N ATOM 485 CA ASP A 479 8.205 -9.619 3.694 1.00 34.24 C ATOM 486 C ASP A 479 6.969 -10.432 4.071 1.00 73.44 C ATOM 487 O ASP A 479 6.050 -9.897 4.688 1.00 33.34 O ATOM 488 CB ASP A 479 9.513 -10.421 3.854 1.00 54.22 C ATOM 489 CG ASP A 479 9.753 -11.409 2.744 1.00 5.50 C ATOM 490 OD1 ASP A 479 9.238 -12.529 2.803 1.00 44.52 O ATOM 491 OD2 ASP A 479 10.475 -11.074 1.800 1.00 52.13 O ATOM 0 H ASP A 479 8.053 -7.578 3.988 1.00 61.02 H new ATOM 0 HA ASP A 479 8.139 -9.354 2.639 1.00 34.24 H new ATOM 0 HB2 ASP A 479 10.352 -9.727 3.899 1.00 54.22 H new ATOM 0 HB3 ASP A 479 9.489 -10.954 4.805 1.00 54.22 H new ATOM 496 N VAL A 480 6.920 -11.683 3.704 1.00 65.12 N ATOM 497 CA VAL A 480 5.811 -12.539 4.078 1.00 5.33 C ATOM 498 C VAL A 480 6.171 -13.229 5.397 1.00 11.23 C ATOM 499 O VAL A 480 5.536 -14.199 5.812 1.00 41.24 O ATOM 500 CB VAL A 480 5.511 -13.626 2.997 1.00 12.20 C ATOM 501 CG1 VAL A 480 5.148 -13.017 1.675 1.00 31.41 C ATOM 502 CG2 VAL A 480 6.650 -14.629 2.843 1.00 13.25 C ATOM 0 H VAL A 480 7.637 -12.142 3.142 1.00 65.12 H new ATOM 0 HA VAL A 480 4.917 -11.923 4.176 1.00 5.33 H new ATOM 0 HB VAL A 480 4.644 -14.179 3.358 1.00 12.20 H new ATOM 0 HG11 VAL A 480 4.947 -13.808 0.953 1.00 31.41 H new ATOM 0 HG12 VAL A 480 4.258 -12.398 1.792 1.00 31.41 H new ATOM 0 HG13 VAL A 480 5.974 -12.402 1.319 1.00 31.41 H new ATOM 0 HG21 VAL A 480 6.389 -15.362 2.079 1.00 13.25 H new ATOM 0 HG22 VAL A 480 7.559 -14.105 2.547 1.00 13.25 H new ATOM 0 HG23 VAL A 480 6.817 -15.138 3.792 1.00 13.25 H new ATOM 512 N THR A 481 7.174 -12.658 6.044 1.00 52.40 N ATOM 513 CA THR A 481 7.798 -13.167 7.224 1.00 12.33 C ATOM 514 C THR A 481 8.749 -14.303 6.823 1.00 54.51 C ATOM 515 O THR A 481 8.454 -15.501 6.982 1.00 32.13 O ATOM 516 CB THR A 481 6.795 -13.576 8.341 1.00 42.42 C ATOM 517 OG1 THR A 481 5.875 -12.477 8.565 1.00 62.45 O ATOM 518 CG2 THR A 481 7.531 -13.846 9.647 1.00 11.12 C ATOM 0 H THR A 481 7.587 -11.779 5.731 1.00 52.40 H new ATOM 0 HA THR A 481 8.372 -12.363 7.683 1.00 12.33 H new ATOM 0 HB THR A 481 6.268 -14.477 8.027 1.00 42.42 H new ATOM 0 HG1 THR A 481 5.236 -12.723 9.266 1.00 62.45 H new ATOM 0 HG21 THR A 481 6.814 -14.131 10.417 1.00 11.12 H new ATOM 0 HG22 THR A 481 8.247 -14.655 9.501 1.00 11.12 H new ATOM 0 HG23 THR A 481 8.060 -12.946 9.959 1.00 11.12 H new ATOM 526 N ILE A 482 9.867 -13.876 6.223 1.00 14.34 N ATOM 527 CA ILE A 482 10.919 -14.739 5.690 1.00 30.22 C ATOM 528 C ILE A 482 10.405 -15.582 4.503 1.00 2.00 C ATOM 529 O ILE A 482 9.844 -16.669 4.683 1.00 51.00 O ATOM 530 CB ILE A 482 11.567 -15.647 6.782 1.00 33.11 C ATOM 531 CG1 ILE A 482 12.068 -14.785 7.957 1.00 11.14 C ATOM 532 CG2 ILE A 482 12.731 -16.438 6.187 1.00 14.23 C ATOM 533 CD1 ILE A 482 12.677 -15.578 9.095 1.00 13.32 C ATOM 0 H ILE A 482 10.067 -12.884 6.093 1.00 14.34 H new ATOM 0 HA ILE A 482 11.705 -14.077 5.326 1.00 30.22 H new ATOM 0 HB ILE A 482 10.814 -16.345 7.148 1.00 33.11 H new ATOM 0 HG12 ILE A 482 12.810 -14.078 7.584 1.00 11.14 H new ATOM 0 HG13 ILE A 482 11.235 -14.198 8.343 1.00 11.14 H new ATOM 0 HG21 ILE A 482 13.175 -17.068 6.958 1.00 14.23 H new ATOM 0 HG22 ILE A 482 12.367 -17.064 5.373 1.00 14.23 H new ATOM 0 HG23 ILE A 482 13.483 -15.747 5.805 1.00 14.23 H new ATOM 0 HD11 ILE A 482 13.004 -14.896 9.880 1.00 13.32 H new ATOM 0 HD12 ILE A 482 11.933 -16.266 9.498 1.00 13.32 H new ATOM 0 HD13 ILE A 482 13.533 -16.144 8.727 1.00 13.32 H new ATOM 545 N GLY A 483 10.548 -15.045 3.302 1.00 72.30 N ATOM 546 CA GLY A 483 10.117 -15.754 2.114 1.00 51.43 C ATOM 547 C GLY A 483 10.644 -15.123 0.841 1.00 20.13 C ATOM 548 O GLY A 483 11.255 -15.800 0.005 1.00 33.11 O ATOM 0 H GLY A 483 10.957 -14.127 3.127 1.00 72.30 H new ATOM 0 HA2 GLY A 483 10.454 -16.789 2.170 1.00 51.43 H new ATOM 0 HA3 GLY A 483 9.028 -15.775 2.082 1.00 51.43 H new ATOM 552 N GLY A 484 10.416 -13.832 0.690 1.00 72.14 N ATOM 553 CA GLY A 484 10.890 -13.113 -0.482 1.00 4.24 C ATOM 554 C GLY A 484 9.761 -12.466 -1.268 1.00 24.42 C ATOM 555 O GLY A 484 9.948 -11.436 -1.922 1.00 34.24 O ATOM 0 H GLY A 484 9.906 -13.258 1.362 1.00 72.14 H new ATOM 0 HA2 GLY A 484 11.598 -12.345 -0.171 1.00 4.24 H new ATOM 0 HA3 GLY A 484 11.432 -13.801 -1.131 1.00 4.24 H new ATOM 559 N SER A 485 8.593 -13.050 -1.178 1.00 64.12 N ATOM 560 CA SER A 485 7.402 -12.615 -1.901 1.00 61.14 C ATOM 561 C SER A 485 6.631 -11.521 -1.128 1.00 1.13 C ATOM 562 O SER A 485 5.393 -11.480 -1.152 1.00 44.31 O ATOM 563 CB SER A 485 6.552 -13.856 -2.102 1.00 24.25 C ATOM 564 OG SER A 485 6.471 -14.591 -0.885 1.00 30.02 O ATOM 0 H SER A 485 8.429 -13.864 -0.586 1.00 64.12 H new ATOM 0 HA SER A 485 7.671 -12.164 -2.856 1.00 61.14 H new ATOM 0 HB2 SER A 485 5.553 -13.573 -2.433 1.00 24.25 H new ATOM 0 HB3 SER A 485 6.983 -14.479 -2.885 1.00 24.25 H new ATOM 0 HG SER A 485 5.920 -15.390 -1.021 1.00 30.02 H new ATOM 570 N ALA A 486 7.395 -10.604 -0.529 1.00 22.03 N ATOM 571 CA ALA A 486 6.901 -9.518 0.334 1.00 35.32 C ATOM 572 C ALA A 486 5.651 -8.809 -0.193 1.00 61.15 C ATOM 573 O ALA A 486 5.674 -8.205 -1.273 1.00 35.22 O ATOM 574 CB ALA A 486 7.996 -8.491 0.541 1.00 35.41 C ATOM 0 H ALA A 486 8.410 -10.593 -0.632 1.00 22.03 H new ATOM 0 HA ALA A 486 6.616 -9.995 1.272 1.00 35.32 H new ATOM 0 HB1 ALA A 486 7.627 -7.689 1.180 1.00 35.41 H new ATOM 0 HB2 ALA A 486 8.855 -8.966 1.015 1.00 35.41 H new ATOM 0 HB3 ALA A 486 8.295 -8.079 -0.423 1.00 35.41 H new ATOM 580 N PRO A 487 4.540 -8.881 0.568 1.00 2.42 N ATOM 581 CA PRO A 487 3.337 -8.166 0.247 1.00 55.42 C ATOM 582 C PRO A 487 3.367 -6.775 0.889 1.00 33.10 C ATOM 583 O PRO A 487 3.879 -6.600 2.003 1.00 75.22 O ATOM 584 CB PRO A 487 2.237 -9.025 0.869 1.00 14.45 C ATOM 585 CG PRO A 487 2.888 -9.774 1.995 1.00 1.11 C ATOM 586 CD PRO A 487 4.383 -9.680 1.802 1.00 0.44 C ATOM 0 HA PRO A 487 3.197 -8.011 -0.823 1.00 55.42 H new ATOM 0 HB2 PRO A 487 1.417 -8.406 1.234 1.00 14.45 H new ATOM 0 HB3 PRO A 487 1.816 -9.712 0.135 1.00 14.45 H new ATOM 0 HG2 PRO A 487 2.598 -9.348 2.956 1.00 1.11 H new ATOM 0 HG3 PRO A 487 2.567 -10.816 1.998 1.00 1.11 H new ATOM 0 HD2 PRO A 487 4.865 -9.198 2.653 1.00 0.44 H new ATOM 0 HD3 PRO A 487 4.834 -10.667 1.698 1.00 0.44 H new ATOM 594 N ILE A 488 2.848 -5.805 0.207 1.00 10.02 N ATOM 595 CA ILE A 488 2.875 -4.449 0.697 1.00 74.13 C ATOM 596 C ILE A 488 1.534 -4.133 1.405 1.00 73.21 C ATOM 597 O ILE A 488 0.480 -4.557 0.941 1.00 53.44 O ATOM 598 CB ILE A 488 3.103 -3.457 -0.484 1.00 71.00 C ATOM 599 CG1 ILE A 488 4.372 -3.819 -1.302 1.00 35.32 C ATOM 600 CG2 ILE A 488 3.209 -2.034 0.020 1.00 0.40 C ATOM 601 CD1 ILE A 488 5.679 -3.747 -0.532 1.00 0.32 C ATOM 0 H ILE A 488 2.395 -5.920 -0.699 1.00 10.02 H new ATOM 0 HA ILE A 488 3.694 -4.338 1.407 1.00 74.13 H new ATOM 0 HB ILE A 488 2.238 -3.540 -1.142 1.00 71.00 H new ATOM 0 HG12 ILE A 488 4.256 -4.829 -1.695 1.00 35.32 H new ATOM 0 HG13 ILE A 488 4.436 -3.148 -2.159 1.00 35.32 H new ATOM 0 HG21 ILE A 488 3.368 -1.361 -0.822 1.00 0.40 H new ATOM 0 HG22 ILE A 488 2.288 -1.761 0.534 1.00 0.40 H new ATOM 0 HG23 ILE A 488 4.048 -1.954 0.711 1.00 0.40 H new ATOM 0 HD11 ILE A 488 6.505 -4.017 -1.190 1.00 0.32 H new ATOM 0 HD12 ILE A 488 5.828 -2.733 -0.161 1.00 0.32 H new ATOM 0 HD13 ILE A 488 5.644 -4.439 0.309 1.00 0.32 H new ATOM 613 N TYR A 489 1.581 -3.425 2.522 1.00 41.23 N ATOM 614 CA TYR A 489 0.364 -3.071 3.268 1.00 32.23 C ATOM 615 C TYR A 489 0.345 -1.600 3.581 1.00 44.41 C ATOM 616 O TYR A 489 1.402 -0.976 3.663 1.00 35.11 O ATOM 617 CB TYR A 489 0.246 -3.868 4.584 1.00 55.10 C ATOM 618 CG TYR A 489 0.020 -5.348 4.405 1.00 71.40 C ATOM 619 CD1 TYR A 489 -1.240 -5.823 4.105 1.00 51.22 C ATOM 620 CD2 TYR A 489 1.057 -6.267 4.538 1.00 73.15 C ATOM 621 CE1 TYR A 489 -1.480 -7.166 3.936 1.00 34.12 C ATOM 622 CE2 TYR A 489 0.827 -7.622 4.370 1.00 21.12 C ATOM 623 CZ TYR A 489 -0.446 -8.066 4.067 1.00 23.23 C ATOM 624 OH TYR A 489 -0.684 -9.416 3.889 1.00 63.41 O ATOM 0 H TYR A 489 2.445 -3.080 2.940 1.00 41.23 H new ATOM 0 HA TYR A 489 -0.484 -3.325 2.632 1.00 32.23 H new ATOM 0 HB2 TYR A 489 1.156 -3.721 5.165 1.00 55.10 H new ATOM 0 HB3 TYR A 489 -0.576 -3.457 5.170 1.00 55.10 H new ATOM 0 HD1 TYR A 489 -2.056 -5.124 4.001 1.00 51.22 H new ATOM 0 HD2 TYR A 489 2.052 -5.919 4.775 1.00 73.15 H new ATOM 0 HE1 TYR A 489 -2.475 -7.514 3.701 1.00 34.12 H new ATOM 0 HE2 TYR A 489 1.638 -8.328 4.475 1.00 21.12 H new ATOM 0 HH TYR A 489 0.150 -9.915 4.015 1.00 63.41 H new ATOM 634 N VAL A 490 -0.848 -1.037 3.740 1.00 50.45 N ATOM 635 CA VAL A 490 -0.978 0.360 4.116 1.00 73.44 C ATOM 636 C VAL A 490 -0.607 0.484 5.587 1.00 72.14 C ATOM 637 O VAL A 490 -1.217 -0.158 6.447 1.00 50.14 O ATOM 638 CB VAL A 490 -2.420 0.910 3.923 1.00 14.35 C ATOM 639 CG1 VAL A 490 -2.451 2.410 4.180 1.00 62.41 C ATOM 640 CG2 VAL A 490 -2.961 0.605 2.540 1.00 15.21 C ATOM 0 H VAL A 490 -1.734 -1.527 3.614 1.00 50.45 H new ATOM 0 HA VAL A 490 -0.321 0.943 3.470 1.00 73.44 H new ATOM 0 HB VAL A 490 -3.062 0.407 4.646 1.00 14.35 H new ATOM 0 HG11 VAL A 490 -3.466 2.782 4.041 1.00 62.41 H new ATOM 0 HG12 VAL A 490 -2.127 2.611 5.201 1.00 62.41 H new ATOM 0 HG13 VAL A 490 -1.782 2.913 3.482 1.00 62.41 H new ATOM 0 HG21 VAL A 490 -3.970 1.006 2.447 1.00 15.21 H new ATOM 0 HG22 VAL A 490 -2.318 1.063 1.789 1.00 15.21 H new ATOM 0 HG23 VAL A 490 -2.984 -0.474 2.388 1.00 15.21 H new ATOM 650 N LYS A 491 0.381 1.286 5.862 1.00 73.40 N ATOM 651 CA LYS A 491 0.892 1.437 7.202 1.00 53.33 C ATOM 652 C LYS A 491 0.176 2.546 7.931 1.00 44.23 C ATOM 653 O LYS A 491 -0.334 2.366 9.036 1.00 43.14 O ATOM 654 CB LYS A 491 2.379 1.779 7.141 1.00 62.03 C ATOM 655 CG LYS A 491 3.048 1.878 8.453 1.00 41.22 C ATOM 656 CD LYS A 491 4.494 2.220 8.268 1.00 5.05 C ATOM 657 CE LYS A 491 5.220 1.923 9.516 1.00 24.30 C ATOM 658 NZ LYS A 491 6.664 2.212 9.424 1.00 13.53 N ATOM 0 H LYS A 491 0.859 1.857 5.165 1.00 73.40 H new ATOM 0 HA LYS A 491 0.733 0.499 7.735 1.00 53.33 H new ATOM 0 HB2 LYS A 491 2.887 1.020 6.547 1.00 62.03 H new ATOM 0 HB3 LYS A 491 2.498 2.727 6.616 1.00 62.03 H new ATOM 0 HG2 LYS A 491 2.561 2.640 9.062 1.00 41.22 H new ATOM 0 HG3 LYS A 491 2.955 0.934 8.990 1.00 41.22 H new ATOM 0 HD2 LYS A 491 4.914 1.646 7.442 1.00 5.05 H new ATOM 0 HD3 LYS A 491 4.602 3.274 8.011 1.00 5.05 H new ATOM 0 HE2 LYS A 491 4.789 2.507 10.329 1.00 24.30 H new ATOM 0 HE3 LYS A 491 5.081 0.872 9.770 1.00 24.30 H new ATOM 0 HZ1 LYS A 491 7.122 1.984 10.330 1.00 13.53 H new ATOM 0 HZ2 LYS A 491 7.086 1.636 8.668 1.00 13.53 H new ATOM 0 HZ3 LYS A 491 6.803 3.220 9.210 1.00 13.53 H new ATOM 672 N ASN A 492 0.140 3.686 7.313 1.00 32.32 N ATOM 673 CA ASN A 492 -0.376 4.868 7.961 1.00 51.11 C ATOM 674 C ASN A 492 -1.059 5.747 6.967 1.00 41.34 C ATOM 675 O ASN A 492 -0.704 5.754 5.787 1.00 24.33 O ATOM 676 CB ASN A 492 0.786 5.641 8.559 1.00 21.32 C ATOM 677 CG ASN A 492 0.383 6.848 9.397 1.00 4.10 C ATOM 678 OD1 ASN A 492 -0.663 6.863 10.035 1.00 53.15 O ATOM 679 ND2 ASN A 492 1.209 7.864 9.395 1.00 40.14 N ATOM 0 H ASN A 492 0.462 3.831 6.356 1.00 32.32 H new ATOM 0 HA ASN A 492 -1.087 4.570 8.732 1.00 51.11 H new ATOM 0 HB2 ASN A 492 1.374 4.965 9.180 1.00 21.32 H new ATOM 0 HB3 ASN A 492 1.435 5.977 7.751 1.00 21.32 H new ATOM 0 HD21 ASN A 492 0.990 8.701 9.936 1.00 40.14 H new ATOM 0 HD22 ASN A 492 2.072 7.819 8.853 1.00 40.14 H new ATOM 686 N ILE A 493 -2.018 6.470 7.445 1.00 62.44 N ATOM 687 CA ILE A 493 -2.746 7.431 6.690 1.00 12.23 C ATOM 688 C ILE A 493 -2.548 8.776 7.356 1.00 25.05 C ATOM 689 O ILE A 493 -3.076 9.025 8.447 1.00 14.53 O ATOM 690 CB ILE A 493 -4.257 7.066 6.661 1.00 11.32 C ATOM 691 CG1 ILE A 493 -4.487 5.765 5.919 1.00 20.45 C ATOM 692 CG2 ILE A 493 -5.112 8.160 6.068 1.00 1.31 C ATOM 693 CD1 ILE A 493 -4.147 5.799 4.444 1.00 42.35 C ATOM 0 H ILE A 493 -2.327 6.402 8.415 1.00 62.44 H new ATOM 0 HA ILE A 493 -2.390 7.455 5.660 1.00 12.23 H new ATOM 0 HB ILE A 493 -4.562 6.945 7.700 1.00 11.32 H new ATOM 0 HG12 ILE A 493 -3.894 4.984 6.395 1.00 20.45 H new ATOM 0 HG13 ILE A 493 -5.534 5.482 6.028 1.00 20.45 H new ATOM 0 HG21 ILE A 493 -6.157 7.849 6.074 1.00 1.31 H new ATOM 0 HG22 ILE A 493 -5.001 9.069 6.659 1.00 1.31 H new ATOM 0 HG23 ILE A 493 -4.797 8.353 5.043 1.00 1.31 H new ATOM 0 HD11 ILE A 493 -4.345 4.822 4.002 1.00 42.35 H new ATOM 0 HD12 ILE A 493 -4.758 6.553 3.947 1.00 42.35 H new ATOM 0 HD13 ILE A 493 -3.093 6.046 4.319 1.00 42.35 H new ATOM 705 N LEU A 494 -1.730 9.593 6.746 1.00 61.22 N ATOM 706 CA LEU A 494 -1.474 10.933 7.221 1.00 11.21 C ATOM 707 C LEU A 494 -2.767 11.756 7.178 1.00 54.30 C ATOM 708 O LEU A 494 -3.369 11.945 6.110 1.00 23.03 O ATOM 709 CB LEU A 494 -0.342 11.629 6.430 1.00 33.43 C ATOM 710 CG LEU A 494 1.109 11.079 6.579 1.00 44.32 C ATOM 711 CD1 LEU A 494 1.562 11.096 8.026 1.00 5.53 C ATOM 712 CD2 LEU A 494 1.278 9.690 5.973 1.00 71.31 C ATOM 0 H LEU A 494 -1.217 9.348 5.899 1.00 61.22 H new ATOM 0 HA LEU A 494 -1.131 10.863 8.253 1.00 11.21 H new ATOM 0 HB2 LEU A 494 -0.604 11.593 5.373 1.00 33.43 H new ATOM 0 HB3 LEU A 494 -0.331 12.680 6.720 1.00 33.43 H new ATOM 0 HG LEU A 494 1.751 11.752 6.011 1.00 44.32 H new ATOM 0 HD11 LEU A 494 2.578 10.706 8.094 1.00 5.53 H new ATOM 0 HD12 LEU A 494 1.540 12.119 8.402 1.00 5.53 H new ATOM 0 HD13 LEU A 494 0.894 10.475 8.624 1.00 5.53 H new ATOM 0 HD21 LEU A 494 2.308 9.358 6.106 1.00 71.31 H new ATOM 0 HD22 LEU A 494 0.604 8.992 6.470 1.00 71.31 H new ATOM 0 HD23 LEU A 494 1.043 9.726 4.909 1.00 71.31 H new ATOM 724 N PRO A 495 -3.165 12.293 8.334 1.00 61.42 N ATOM 725 CA PRO A 495 -4.486 12.965 8.554 1.00 35.11 C ATOM 726 C PRO A 495 -4.596 14.349 7.931 1.00 72.33 C ATOM 727 O PRO A 495 -5.414 15.160 8.360 1.00 74.23 O ATOM 728 CB PRO A 495 -4.486 13.122 10.066 1.00 43.44 C ATOM 729 CG PRO A 495 -3.060 13.351 10.374 1.00 43.32 C ATOM 730 CD PRO A 495 -2.348 12.331 9.569 1.00 34.13 C ATOM 0 HA PRO A 495 -5.303 12.395 8.111 1.00 35.11 H new ATOM 0 HB2 PRO A 495 -5.108 13.959 10.385 1.00 43.44 H new ATOM 0 HB3 PRO A 495 -4.869 12.232 10.565 1.00 43.44 H new ATOM 0 HG2 PRO A 495 -2.751 14.360 10.102 1.00 43.32 H new ATOM 0 HG3 PRO A 495 -2.858 13.231 11.438 1.00 43.32 H new ATOM 0 HD2 PRO A 495 -1.316 12.617 9.367 1.00 34.13 H new ATOM 0 HD3 PRO A 495 -2.319 11.363 10.069 1.00 34.13 H new ATOM 738 N ARG A 496 -3.799 14.621 6.941 1.00 52.05 N ATOM 739 CA ARG A 496 -3.793 15.933 6.333 1.00 72.43 C ATOM 740 C ARG A 496 -3.246 15.939 4.903 1.00 14.41 C ATOM 741 O ARG A 496 -3.067 16.997 4.300 1.00 34.54 O ATOM 742 CB ARG A 496 -3.026 16.880 7.202 1.00 34.42 C ATOM 743 CG ARG A 496 -1.679 16.336 7.626 1.00 1.44 C ATOM 744 CD ARG A 496 -0.877 17.347 8.414 1.00 54.32 C ATOM 745 NE ARG A 496 -1.573 17.799 9.622 1.00 12.44 N ATOM 746 CZ ARG A 496 -1.022 18.534 10.590 1.00 3.43 C ATOM 747 NH1 ARG A 496 0.267 18.867 10.534 1.00 40.55 N ATOM 748 NH2 ARG A 496 -1.757 18.920 11.617 1.00 35.40 N ATOM 0 H ARG A 496 -3.142 13.957 6.532 1.00 52.05 H new ATOM 0 HA ARG A 496 -4.830 16.257 6.253 1.00 72.43 H new ATOM 0 HB2 ARG A 496 -2.880 17.818 6.667 1.00 34.42 H new ATOM 0 HB3 ARG A 496 -3.615 17.108 8.090 1.00 34.42 H new ATOM 0 HG2 ARG A 496 -1.825 15.440 8.230 1.00 1.44 H new ATOM 0 HG3 ARG A 496 -1.115 16.037 6.742 1.00 1.44 H new ATOM 0 HD2 ARG A 496 0.081 16.908 8.694 1.00 54.32 H new ATOM 0 HD3 ARG A 496 -0.660 18.207 7.780 1.00 54.32 H new ATOM 0 HE ARG A 496 -2.551 17.532 9.731 1.00 12.44 H new ATOM 0 HH11 ARG A 496 0.839 18.560 9.748 1.00 40.55 H new ATOM 0 HH12 ARG A 496 0.681 19.429 11.278 1.00 40.55 H new ATOM 0 HH21 ARG A 496 -2.741 18.656 11.668 1.00 35.40 H new ATOM 0 HH22 ARG A 496 -1.341 19.482 12.360 1.00 35.40 H new ATOM 762 N GLY A 497 -2.994 14.776 4.369 1.00 3.21 N ATOM 763 CA GLY A 497 -2.539 14.696 2.978 1.00 63.00 C ATOM 764 C GLY A 497 -3.668 14.300 2.013 1.00 54.14 C ATOM 765 O GLY A 497 -4.828 14.586 2.270 1.00 74.14 O ATOM 0 H GLY A 497 -3.088 13.881 4.849 1.00 3.21 H new ATOM 0 HA2 GLY A 497 -2.129 15.660 2.677 1.00 63.00 H new ATOM 0 HA3 GLY A 497 -1.730 13.969 2.905 1.00 63.00 H new ATOM 769 N ALA A 498 -3.327 13.620 0.921 1.00 70.00 N ATOM 770 CA ALA A 498 -4.271 13.255 -0.109 1.00 61.33 C ATOM 771 C ALA A 498 -5.311 12.308 0.418 1.00 32.20 C ATOM 772 O ALA A 498 -6.489 12.432 0.111 1.00 42.43 O ATOM 773 CB ALA A 498 -3.571 12.588 -1.272 1.00 33.42 C ATOM 0 H ALA A 498 -2.374 13.308 0.733 1.00 70.00 H new ATOM 0 HA ALA A 498 -4.749 14.177 -0.441 1.00 61.33 H new ATOM 0 HB1 ALA A 498 -4.304 12.323 -2.034 1.00 33.42 H new ATOM 0 HB2 ALA A 498 -2.837 13.273 -1.697 1.00 33.42 H new ATOM 0 HB3 ALA A 498 -3.067 11.686 -0.924 1.00 33.42 H new ATOM 779 N ALA A 499 -4.858 11.356 1.258 1.00 31.31 N ATOM 780 CA ALA A 499 -5.719 10.305 1.765 1.00 21.22 C ATOM 781 C ALA A 499 -6.930 10.845 2.493 1.00 51.41 C ATOM 782 O ALA A 499 -7.980 10.275 2.400 1.00 21.14 O ATOM 783 CB ALA A 499 -4.945 9.323 2.617 1.00 73.31 C ATOM 0 H ALA A 499 -3.895 11.306 1.592 1.00 31.31 H new ATOM 0 HA ALA A 499 -6.099 9.765 0.898 1.00 21.22 H new ATOM 0 HB1 ALA A 499 -5.619 8.548 2.982 1.00 73.31 H new ATOM 0 HB2 ALA A 499 -4.156 8.866 2.020 1.00 73.31 H new ATOM 0 HB3 ALA A 499 -4.502 9.847 3.464 1.00 73.31 H new ATOM 789 N ILE A 500 -6.769 11.933 3.221 1.00 0.14 N ATOM 790 CA ILE A 500 -7.899 12.583 3.878 1.00 34.43 C ATOM 791 C ILE A 500 -8.701 13.478 2.918 1.00 32.55 C ATOM 792 O ILE A 500 -9.932 13.458 2.921 1.00 61.40 O ATOM 793 CB ILE A 500 -7.477 13.348 5.138 1.00 3.41 C ATOM 794 CG1 ILE A 500 -8.670 14.020 5.812 1.00 62.31 C ATOM 795 CG2 ILE A 500 -6.391 14.348 4.842 1.00 20.04 C ATOM 796 CD1 ILE A 500 -8.300 14.760 7.064 1.00 53.35 C ATOM 0 H ILE A 500 -5.870 12.389 3.376 1.00 0.14 H new ATOM 0 HA ILE A 500 -8.565 11.781 4.196 1.00 34.43 H new ATOM 0 HB ILE A 500 -7.071 12.616 5.836 1.00 3.41 H new ATOM 0 HG12 ILE A 500 -9.132 14.714 5.110 1.00 62.31 H new ATOM 0 HG13 ILE A 500 -9.418 13.264 6.052 1.00 62.31 H new ATOM 0 HG21 ILE A 500 -6.118 14.871 5.759 1.00 20.04 H new ATOM 0 HG22 ILE A 500 -5.518 13.830 4.446 1.00 20.04 H new ATOM 0 HG23 ILE A 500 -6.750 15.068 4.107 1.00 20.04 H new ATOM 0 HD11 ILE A 500 -9.192 15.215 7.495 1.00 53.35 H new ATOM 0 HD12 ILE A 500 -7.864 14.065 7.782 1.00 53.35 H new ATOM 0 HD13 ILE A 500 -7.575 15.538 6.826 1.00 53.35 H new ATOM 808 N GLN A 501 -7.988 14.233 2.074 1.00 30.11 N ATOM 809 CA GLN A 501 -8.620 15.166 1.134 1.00 72.13 C ATOM 810 C GLN A 501 -9.528 14.455 0.150 1.00 15.31 C ATOM 811 O GLN A 501 -10.587 14.967 -0.215 1.00 73.31 O ATOM 812 CB GLN A 501 -7.570 16.002 0.398 1.00 50.22 C ATOM 813 CG GLN A 501 -6.775 16.948 1.291 1.00 42.44 C ATOM 814 CD GLN A 501 -7.625 18.052 1.916 1.00 51.43 C ATOM 815 OE1 GLN A 501 -8.819 17.887 2.167 1.00 42.03 O ATOM 816 NE2 GLN A 501 -7.015 19.178 2.168 1.00 21.45 N ATOM 0 H GLN A 501 -6.969 14.216 2.023 1.00 30.11 H new ATOM 0 HA GLN A 501 -9.243 15.839 1.723 1.00 72.13 H new ATOM 0 HB2 GLN A 501 -6.876 15.329 -0.106 1.00 50.22 H new ATOM 0 HB3 GLN A 501 -8.067 16.586 -0.377 1.00 50.22 H new ATOM 0 HG2 GLN A 501 -6.300 16.372 2.085 1.00 42.44 H new ATOM 0 HG3 GLN A 501 -5.976 17.403 0.705 1.00 42.44 H new ATOM 0 HE21 GLN A 501 -6.024 19.282 1.948 1.00 21.45 H new ATOM 0 HE22 GLN A 501 -7.529 19.954 2.585 1.00 21.45 H new ATOM 825 N ASP A 502 -9.117 13.289 -0.281 1.00 24.35 N ATOM 826 CA ASP A 502 -9.953 12.482 -1.151 1.00 31.33 C ATOM 827 C ASP A 502 -10.726 11.504 -0.330 1.00 52.21 C ATOM 828 O ASP A 502 -11.822 11.090 -0.714 1.00 5.24 O ATOM 829 CB ASP A 502 -9.151 11.728 -2.212 1.00 61.33 C ATOM 830 CG ASP A 502 -8.510 12.627 -3.248 1.00 34.14 C ATOM 831 OD1 ASP A 502 -9.214 13.040 -4.200 1.00 33.34 O ATOM 832 OD2 ASP A 502 -7.308 12.929 -3.135 1.00 72.24 O ATOM 0 H ASP A 502 -8.215 12.874 -0.049 1.00 24.35 H new ATOM 0 HA ASP A 502 -10.623 13.164 -1.675 1.00 31.33 H new ATOM 0 HB2 ASP A 502 -8.373 11.145 -1.719 1.00 61.33 H new ATOM 0 HB3 ASP A 502 -9.809 11.020 -2.716 1.00 61.33 H new ATOM 837 N GLY A 503 -10.136 11.115 0.812 1.00 24.51 N ATOM 838 CA GLY A 503 -10.774 10.209 1.752 1.00 74.13 C ATOM 839 C GLY A 503 -11.160 8.886 1.169 1.00 12.45 C ATOM 840 O GLY A 503 -12.108 8.244 1.630 1.00 61.14 O ATOM 0 H GLY A 503 -9.207 11.424 1.099 1.00 24.51 H new ATOM 0 HA2 GLY A 503 -10.099 10.040 2.591 1.00 74.13 H new ATOM 0 HA3 GLY A 503 -11.666 10.690 2.153 1.00 74.13 H new ATOM 844 N ARG A 504 -10.435 8.459 0.178 1.00 55.20 N ATOM 845 CA ARG A 504 -10.797 7.258 -0.517 1.00 24.31 C ATOM 846 C ARG A 504 -9.963 6.069 -0.020 1.00 11.32 C ATOM 847 O ARG A 504 -10.295 4.925 -0.272 1.00 23.42 O ATOM 848 CB ARG A 504 -10.613 7.468 -2.027 1.00 73.13 C ATOM 849 CG ARG A 504 -11.247 6.396 -2.902 1.00 62.34 C ATOM 850 CD ARG A 504 -12.757 6.414 -2.772 1.00 50.12 C ATOM 851 NE ARG A 504 -13.405 5.419 -3.631 1.00 4.22 N ATOM 852 CZ ARG A 504 -14.726 5.202 -3.680 1.00 41.01 C ATOM 853 NH1 ARG A 504 -15.551 5.884 -2.876 1.00 34.40 N ATOM 854 NH2 ARG A 504 -15.220 4.293 -4.522 1.00 21.54 N ATOM 0 H ARG A 504 -9.593 8.921 -0.167 1.00 55.20 H new ATOM 0 HA ARG A 504 -11.844 7.030 -0.317 1.00 24.31 H new ATOM 0 HB2 ARG A 504 -11.035 8.436 -2.299 1.00 73.13 H new ATOM 0 HB3 ARG A 504 -9.546 7.512 -2.246 1.00 73.13 H new ATOM 0 HG2 ARG A 504 -10.966 6.557 -3.943 1.00 62.34 H new ATOM 0 HG3 ARG A 504 -10.865 5.416 -2.617 1.00 62.34 H new ATOM 0 HD2 ARG A 504 -13.032 6.227 -1.734 1.00 50.12 H new ATOM 0 HD3 ARG A 504 -13.129 7.407 -3.026 1.00 50.12 H new ATOM 0 HE ARG A 504 -12.808 4.852 -4.234 1.00 4.22 H new ATOM 0 HH11 ARG A 504 -15.174 6.571 -2.223 1.00 34.40 H new ATOM 0 HH12 ARG A 504 -16.556 5.716 -2.916 1.00 34.40 H new ATOM 0 HH21 ARG A 504 -14.592 3.764 -5.127 1.00 21.54 H new ATOM 0 HH22 ARG A 504 -16.226 4.127 -4.560 1.00 21.54 H new ATOM 868 N LEU A 505 -8.907 6.350 0.703 1.00 45.14 N ATOM 869 CA LEU A 505 -8.013 5.314 1.175 1.00 5.45 C ATOM 870 C LEU A 505 -7.890 5.368 2.687 1.00 71.50 C ATOM 871 O LEU A 505 -7.978 6.445 3.286 1.00 33.30 O ATOM 872 CB LEU A 505 -6.630 5.483 0.533 1.00 74.43 C ATOM 873 CG LEU A 505 -5.588 4.409 0.859 1.00 72.23 C ATOM 874 CD1 LEU A 505 -6.051 3.034 0.405 1.00 62.41 C ATOM 875 CD2 LEU A 505 -4.277 4.758 0.216 1.00 72.44 C ATOM 0 H LEU A 505 -8.642 7.295 0.981 1.00 45.14 H new ATOM 0 HA LEU A 505 -8.424 4.345 0.892 1.00 5.45 H new ATOM 0 HB2 LEU A 505 -6.758 5.516 -0.549 1.00 74.43 H new ATOM 0 HB3 LEU A 505 -6.229 6.450 0.836 1.00 74.43 H new ATOM 0 HG LEU A 505 -5.459 4.375 1.941 1.00 72.23 H new ATOM 0 HD11 LEU A 505 -5.289 2.294 0.651 1.00 62.41 H new ATOM 0 HD12 LEU A 505 -6.982 2.778 0.911 1.00 62.41 H new ATOM 0 HD13 LEU A 505 -6.214 3.042 -0.673 1.00 62.41 H new ATOM 0 HD21 LEU A 505 -3.540 3.990 0.452 1.00 72.44 H new ATOM 0 HD22 LEU A 505 -4.406 4.817 -0.865 1.00 72.44 H new ATOM 0 HD23 LEU A 505 -3.931 5.720 0.593 1.00 72.44 H new ATOM 887 N LYS A 506 -7.695 4.216 3.293 1.00 1.23 N ATOM 888 CA LYS A 506 -7.508 4.105 4.717 1.00 71.24 C ATOM 889 C LYS A 506 -6.461 3.031 4.992 1.00 2.25 C ATOM 890 O LYS A 506 -6.122 2.253 4.095 1.00 15.42 O ATOM 891 CB LYS A 506 -8.826 3.799 5.486 1.00 24.43 C ATOM 892 CG LYS A 506 -9.519 2.455 5.163 1.00 25.43 C ATOM 893 CD LYS A 506 -10.123 2.398 3.754 1.00 24.14 C ATOM 894 CE LYS A 506 -11.283 3.375 3.584 1.00 62.23 C ATOM 895 NZ LYS A 506 -12.419 3.066 4.490 1.00 12.54 N ATOM 0 H LYS A 506 -7.662 3.323 2.802 1.00 1.23 H new ATOM 0 HA LYS A 506 -7.167 5.072 5.086 1.00 71.24 H new ATOM 0 HB2 LYS A 506 -8.611 3.823 6.554 1.00 24.43 H new ATOM 0 HB3 LYS A 506 -9.533 4.604 5.285 1.00 24.43 H new ATOM 0 HG2 LYS A 506 -8.795 1.647 5.272 1.00 25.43 H new ATOM 0 HG3 LYS A 506 -10.307 2.277 5.895 1.00 25.43 H new ATOM 0 HD2 LYS A 506 -9.350 2.624 3.020 1.00 24.14 H new ATOM 0 HD3 LYS A 506 -10.470 1.385 3.550 1.00 24.14 H new ATOM 0 HE2 LYS A 506 -10.932 4.389 3.778 1.00 62.23 H new ATOM 0 HE3 LYS A 506 -11.628 3.349 2.550 1.00 62.23 H new ATOM 0 HZ1 LYS A 506 -13.257 3.606 4.193 1.00 12.54 H new ATOM 0 HZ2 LYS A 506 -12.630 2.048 4.448 1.00 12.54 H new ATOM 0 HZ3 LYS A 506 -12.167 3.327 5.465 1.00 12.54 H new ATOM 909 N ALA A 507 -5.947 2.992 6.199 1.00 40.33 N ATOM 910 CA ALA A 507 -4.935 2.028 6.554 1.00 30.33 C ATOM 911 C ALA A 507 -5.596 0.734 6.973 1.00 41.11 C ATOM 912 O ALA A 507 -6.532 0.736 7.777 1.00 62.40 O ATOM 913 CB ALA A 507 -4.003 2.579 7.646 1.00 61.35 C ATOM 0 H ALA A 507 -6.216 3.621 6.955 1.00 40.33 H new ATOM 0 HA ALA A 507 -4.310 1.827 5.684 1.00 30.33 H new ATOM 0 HB1 ALA A 507 -3.250 1.831 7.893 1.00 61.35 H new ATOM 0 HB2 ALA A 507 -3.512 3.482 7.283 1.00 61.35 H new ATOM 0 HB3 ALA A 507 -4.586 2.816 8.536 1.00 61.35 H new ATOM 919 N GLY A 508 -5.134 -0.355 6.411 1.00 22.43 N ATOM 920 CA GLY A 508 -5.717 -1.638 6.703 1.00 40.22 C ATOM 921 C GLY A 508 -5.797 -2.494 5.467 1.00 13.44 C ATOM 922 O GLY A 508 -5.904 -3.721 5.548 1.00 60.43 O ATOM 0 H GLY A 508 -4.357 -0.378 5.750 1.00 22.43 H new ATOM 0 HA2 GLY A 508 -5.123 -2.146 7.462 1.00 40.22 H new ATOM 0 HA3 GLY A 508 -6.715 -1.501 7.119 1.00 40.22 H new ATOM 926 N ASP A 509 -5.741 -1.855 4.317 1.00 24.03 N ATOM 927 CA ASP A 509 -5.792 -2.574 3.052 1.00 11.35 C ATOM 928 C ASP A 509 -4.401 -2.978 2.586 1.00 70.43 C ATOM 929 O ASP A 509 -3.379 -2.492 3.110 1.00 74.52 O ATOM 930 CB ASP A 509 -6.553 -1.800 1.955 1.00 42.11 C ATOM 931 CG ASP A 509 -8.030 -1.620 2.277 1.00 2.31 C ATOM 932 OD1 ASP A 509 -8.754 -2.625 2.357 1.00 54.31 O ATOM 933 OD2 ASP A 509 -8.486 -0.475 2.479 1.00 45.22 O ATOM 0 H ASP A 509 -5.660 -0.842 4.227 1.00 24.03 H new ATOM 0 HA ASP A 509 -6.361 -3.485 3.237 1.00 11.35 H new ATOM 0 HB2 ASP A 509 -6.093 -0.821 1.822 1.00 42.11 H new ATOM 0 HB3 ASP A 509 -6.454 -2.330 1.008 1.00 42.11 H new ATOM 938 N ARG A 510 -4.352 -3.867 1.626 1.00 13.44 N ATOM 939 CA ARG A 510 -3.101 -4.387 1.125 1.00 64.02 C ATOM 940 C ARG A 510 -2.824 -3.831 -0.251 1.00 60.24 C ATOM 941 O ARG A 510 -3.712 -3.688 -1.055 1.00 43.34 O ATOM 942 CB ARG A 510 -3.147 -5.936 1.183 1.00 50.04 C ATOM 943 CG ARG A 510 -1.903 -6.744 0.758 1.00 14.03 C ATOM 944 CD ARG A 510 -1.676 -6.902 -0.734 1.00 62.31 C ATOM 945 NE ARG A 510 -0.776 -8.058 -0.976 1.00 4.32 N ATOM 946 CZ ARG A 510 -0.153 -8.364 -2.123 1.00 44.42 C ATOM 947 NH1 ARG A 510 -0.034 -7.476 -3.084 1.00 54.51 N ATOM 948 NH2 ARG A 510 0.420 -9.552 -2.259 1.00 12.30 N ATOM 0 H ARG A 510 -5.178 -4.252 1.168 1.00 13.44 H new ATOM 0 HA ARG A 510 -2.263 -4.069 1.745 1.00 64.02 H new ATOM 0 HB2 ARG A 510 -3.387 -6.219 2.208 1.00 50.04 H new ATOM 0 HB3 ARG A 510 -3.979 -6.263 0.559 1.00 50.04 H new ATOM 0 HG2 ARG A 510 -1.023 -6.267 1.188 1.00 14.03 H new ATOM 0 HG3 ARG A 510 -1.975 -7.738 1.199 1.00 14.03 H new ATOM 0 HD2 ARG A 510 -2.627 -7.055 -1.244 1.00 62.31 H new ATOM 0 HD3 ARG A 510 -1.237 -5.993 -1.145 1.00 62.31 H new ATOM 0 HE ARG A 510 -0.615 -8.685 -0.187 1.00 4.32 H new ATOM 0 HH11 ARG A 510 -0.418 -6.539 -2.963 1.00 54.51 H new ATOM 0 HH12 ARG A 510 0.443 -7.724 -3.951 1.00 54.51 H new ATOM 0 HH21 ARG A 510 0.385 -10.226 -1.494 1.00 12.30 H new ATOM 0 HH22 ARG A 510 0.896 -9.792 -3.129 1.00 12.30 H new ATOM 962 N LEU A 511 -1.600 -3.528 -0.497 1.00 63.31 N ATOM 963 CA LEU A 511 -1.184 -2.897 -1.752 1.00 55.44 C ATOM 964 C LEU A 511 -0.899 -3.906 -2.831 1.00 34.24 C ATOM 965 O LEU A 511 -0.153 -4.852 -2.617 1.00 70.04 O ATOM 966 CB LEU A 511 0.045 -2.008 -1.556 1.00 42.21 C ATOM 967 CG LEU A 511 -0.150 -0.571 -1.100 1.00 42.11 C ATOM 968 CD1 LEU A 511 -0.944 0.215 -2.130 1.00 41.44 C ATOM 969 CD2 LEU A 511 -0.795 -0.505 0.248 1.00 33.33 C ATOM 0 H LEU A 511 -0.835 -3.702 0.154 1.00 63.31 H new ATOM 0 HA LEU A 511 -2.025 -2.280 -2.069 1.00 55.44 H new ATOM 0 HB2 LEU A 511 0.693 -2.498 -0.830 1.00 42.21 H new ATOM 0 HB3 LEU A 511 0.587 -1.983 -2.501 1.00 42.21 H new ATOM 0 HG LEU A 511 0.835 -0.113 -1.009 1.00 42.11 H new ATOM 0 HD11 LEU A 511 -1.073 1.241 -1.785 1.00 41.44 H new ATOM 0 HD12 LEU A 511 -0.408 0.216 -3.079 1.00 41.44 H new ATOM 0 HD13 LEU A 511 -1.922 -0.247 -2.266 1.00 41.44 H new ATOM 0 HD21 LEU A 511 -0.919 0.537 0.542 1.00 33.33 H new ATOM 0 HD22 LEU A 511 -1.771 -0.989 0.209 1.00 33.33 H new ATOM 0 HD23 LEU A 511 -0.166 -1.015 0.978 1.00 33.33 H new ATOM 981 N ILE A 512 -1.489 -3.708 -3.985 1.00 64.43 N ATOM 982 CA ILE A 512 -1.261 -4.581 -5.123 1.00 51.30 C ATOM 983 C ILE A 512 -0.396 -3.881 -6.153 1.00 74.14 C ATOM 984 O ILE A 512 0.683 -4.367 -6.493 1.00 32.43 O ATOM 985 CB ILE A 512 -2.589 -5.033 -5.790 1.00 42.32 C ATOM 986 CG1 ILE A 512 -3.478 -5.843 -4.829 1.00 22.51 C ATOM 987 CG2 ILE A 512 -2.316 -5.839 -7.064 1.00 31.12 C ATOM 988 CD1 ILE A 512 -2.918 -7.199 -4.450 1.00 13.44 C ATOM 0 H ILE A 512 -2.138 -2.943 -4.167 1.00 64.43 H new ATOM 0 HA ILE A 512 -0.753 -5.470 -4.749 1.00 51.30 H new ATOM 0 HB ILE A 512 -3.132 -4.126 -6.055 1.00 42.32 H new ATOM 0 HG12 ILE A 512 -3.634 -5.261 -3.921 1.00 22.51 H new ATOM 0 HG13 ILE A 512 -4.456 -5.983 -5.290 1.00 22.51 H new ATOM 0 HG21 ILE A 512 -3.262 -6.143 -7.512 1.00 31.12 H new ATOM 0 HG22 ILE A 512 -1.761 -5.224 -7.772 1.00 31.12 H new ATOM 0 HG23 ILE A 512 -1.730 -6.724 -6.816 1.00 31.12 H new ATOM 0 HD11 ILE A 512 -3.608 -7.701 -3.771 1.00 13.44 H new ATOM 0 HD12 ILE A 512 -2.789 -7.803 -5.348 1.00 13.44 H new ATOM 0 HD13 ILE A 512 -1.954 -7.070 -3.958 1.00 13.44 H new ATOM 1000 N GLU A 513 -0.869 -2.757 -6.642 1.00 15.43 N ATOM 1001 CA GLU A 513 -0.167 -2.016 -7.662 1.00 20.10 C ATOM 1002 C GLU A 513 -0.622 -0.568 -7.671 1.00 75.14 C ATOM 1003 O GLU A 513 -1.757 -0.270 -7.317 1.00 52.45 O ATOM 1004 CB GLU A 513 -0.397 -2.682 -9.028 1.00 2.14 C ATOM 1005 CG GLU A 513 -1.849 -2.792 -9.437 1.00 61.34 C ATOM 1006 CD GLU A 513 -2.019 -3.495 -10.746 1.00 23.14 C ATOM 1007 OE1 GLU A 513 -1.801 -4.722 -10.809 1.00 31.22 O ATOM 1008 OE2 GLU A 513 -2.370 -2.838 -11.740 1.00 64.42 O ATOM 0 H GLU A 513 -1.748 -2.333 -6.344 1.00 15.43 H new ATOM 0 HA GLU A 513 0.902 -2.024 -7.448 1.00 20.10 H new ATOM 0 HB2 GLU A 513 0.140 -2.115 -9.789 1.00 2.14 H new ATOM 0 HB3 GLU A 513 0.038 -3.681 -9.009 1.00 2.14 H new ATOM 0 HG2 GLU A 513 -2.402 -3.328 -8.665 1.00 61.34 H new ATOM 0 HG3 GLU A 513 -2.282 -1.794 -9.504 1.00 61.34 H new ATOM 1015 N VAL A 514 0.254 0.320 -8.033 1.00 61.45 N ATOM 1016 CA VAL A 514 -0.076 1.699 -8.141 1.00 23.23 C ATOM 1017 C VAL A 514 0.234 2.177 -9.554 1.00 45.25 C ATOM 1018 O VAL A 514 1.304 1.885 -10.098 1.00 24.05 O ATOM 1019 CB VAL A 514 0.644 2.552 -7.057 1.00 30.15 C ATOM 1020 CG1 VAL A 514 2.122 2.342 -7.103 1.00 30.44 C ATOM 1021 CG2 VAL A 514 0.339 4.013 -7.228 1.00 21.21 C ATOM 0 H VAL A 514 1.223 0.101 -8.262 1.00 61.45 H new ATOM 0 HA VAL A 514 -1.143 1.827 -7.957 1.00 23.23 H new ATOM 0 HB VAL A 514 0.271 2.225 -6.087 1.00 30.15 H new ATOM 0 HG11 VAL A 514 2.600 2.950 -6.335 1.00 30.44 H new ATOM 0 HG12 VAL A 514 2.346 1.290 -6.925 1.00 30.44 H new ATOM 0 HG13 VAL A 514 2.500 2.632 -8.083 1.00 30.44 H new ATOM 0 HG21 VAL A 514 0.855 4.585 -6.457 1.00 21.21 H new ATOM 0 HG22 VAL A 514 0.676 4.342 -8.211 1.00 21.21 H new ATOM 0 HG23 VAL A 514 -0.736 4.173 -7.140 1.00 21.21 H new ATOM 1031 N ASN A 515 -0.744 2.837 -10.161 1.00 20.52 N ATOM 1032 CA ASN A 515 -0.674 3.355 -11.551 1.00 13.12 C ATOM 1033 C ASN A 515 -0.467 2.259 -12.611 1.00 62.22 C ATOM 1034 O ASN A 515 -0.373 2.551 -13.798 1.00 62.24 O ATOM 1035 CB ASN A 515 0.363 4.499 -11.694 1.00 54.14 C ATOM 1036 CG ASN A 515 -0.076 5.779 -10.984 1.00 50.22 C ATOM 1037 OD1 ASN A 515 -0.828 5.744 -10.029 1.00 31.35 O ATOM 1038 ND2 ASN A 515 0.405 6.912 -11.436 1.00 71.54 N ATOM 0 H ASN A 515 -1.633 3.039 -9.704 1.00 20.52 H new ATOM 0 HA ASN A 515 -1.659 3.776 -11.753 1.00 13.12 H new ATOM 0 HB2 ASN A 515 1.319 4.171 -11.287 1.00 54.14 H new ATOM 0 HB3 ASN A 515 0.523 4.710 -12.751 1.00 54.14 H new ATOM 0 HD21 ASN A 515 0.150 7.790 -10.985 1.00 71.54 H new ATOM 0 HD22 ASN A 515 1.034 6.915 -12.239 1.00 71.54 H new ATOM 1045 N GLY A 516 -0.434 1.010 -12.181 1.00 73.22 N ATOM 1046 CA GLY A 516 -0.250 -0.089 -13.099 1.00 13.13 C ATOM 1047 C GLY A 516 1.069 -0.806 -12.889 1.00 44.14 C ATOM 1048 O GLY A 516 1.340 -1.817 -13.539 1.00 12.51 O ATOM 0 H GLY A 516 -0.532 0.737 -11.203 1.00 73.22 H new ATOM 0 HA2 GLY A 516 -1.069 -0.799 -12.980 1.00 13.13 H new ATOM 0 HA3 GLY A 516 -0.298 0.284 -14.122 1.00 13.13 H new ATOM 1052 N VAL A 517 1.891 -0.296 -11.986 1.00 11.20 N ATOM 1053 CA VAL A 517 3.181 -0.905 -11.709 1.00 14.24 C ATOM 1054 C VAL A 517 3.042 -1.873 -10.552 1.00 72.02 C ATOM 1055 O VAL A 517 2.431 -1.541 -9.529 1.00 41.24 O ATOM 1056 CB VAL A 517 4.269 0.154 -11.381 1.00 11.13 C ATOM 1057 CG1 VAL A 517 5.617 -0.512 -11.118 1.00 71.44 C ATOM 1058 CG2 VAL A 517 4.391 1.156 -12.515 1.00 12.01 C ATOM 0 H VAL A 517 1.688 0.537 -11.433 1.00 11.20 H new ATOM 0 HA VAL A 517 3.500 -1.434 -12.607 1.00 14.24 H new ATOM 0 HB VAL A 517 3.966 0.681 -10.476 1.00 11.13 H new ATOM 0 HG11 VAL A 517 6.362 0.251 -10.891 1.00 71.44 H new ATOM 0 HG12 VAL A 517 5.527 -1.194 -10.273 1.00 71.44 H new ATOM 0 HG13 VAL A 517 5.926 -1.069 -12.002 1.00 71.44 H new ATOM 0 HG21 VAL A 517 5.157 1.891 -12.270 1.00 12.01 H new ATOM 0 HG22 VAL A 517 4.667 0.636 -13.432 1.00 12.01 H new ATOM 0 HG23 VAL A 517 3.436 1.661 -12.658 1.00 12.01 H new ATOM 1068 N ASP A 518 3.623 -3.045 -10.706 1.00 31.33 N ATOM 1069 CA ASP A 518 3.503 -4.109 -9.732 1.00 43.23 C ATOM 1070 C ASP A 518 4.398 -3.845 -8.571 1.00 62.51 C ATOM 1071 O ASP A 518 5.477 -3.280 -8.727 1.00 51.21 O ATOM 1072 CB ASP A 518 3.864 -5.469 -10.337 1.00 41.41 C ATOM 1073 CG ASP A 518 2.970 -5.884 -11.474 1.00 21.04 C ATOM 1074 OD1 ASP A 518 1.871 -6.440 -11.224 1.00 45.33 O ATOM 1075 OD2 ASP A 518 3.354 -5.688 -12.639 1.00 35.53 O ATOM 0 H ASP A 518 4.195 -3.287 -11.515 1.00 31.33 H new ATOM 0 HA ASP A 518 2.463 -4.137 -9.406 1.00 43.23 H new ATOM 0 HB2 ASP A 518 4.895 -5.437 -10.690 1.00 41.41 H new ATOM 0 HB3 ASP A 518 3.818 -6.228 -9.556 1.00 41.41 H new ATOM 1080 N LEU A 519 3.958 -4.233 -7.416 1.00 40.32 N ATOM 1081 CA LEU A 519 4.732 -4.021 -6.217 1.00 14.43 C ATOM 1082 C LEU A 519 5.406 -5.307 -5.840 1.00 72.35 C ATOM 1083 O LEU A 519 6.546 -5.327 -5.387 1.00 0.44 O ATOM 1084 CB LEU A 519 3.830 -3.616 -5.078 1.00 44.01 C ATOM 1085 CG LEU A 519 2.795 -2.555 -5.383 1.00 4.24 C ATOM 1086 CD1 LEU A 519 2.064 -2.188 -4.145 1.00 35.35 C ATOM 1087 CD2 LEU A 519 3.384 -1.348 -6.053 1.00 73.45 C ATOM 0 H LEU A 519 3.064 -4.701 -7.269 1.00 40.32 H new ATOM 0 HA LEU A 519 5.464 -3.235 -6.404 1.00 14.43 H new ATOM 0 HB2 LEU A 519 3.312 -4.506 -4.720 1.00 44.01 H new ATOM 0 HB3 LEU A 519 4.454 -3.259 -4.259 1.00 44.01 H new ATOM 0 HG LEU A 519 2.088 -2.979 -6.096 1.00 4.24 H new ATOM 0 HD11 LEU A 519 1.321 -1.424 -4.374 1.00 35.35 H new ATOM 0 HD12 LEU A 519 1.565 -3.070 -3.742 1.00 35.35 H new ATOM 0 HD13 LEU A 519 2.768 -1.801 -3.408 1.00 35.35 H new ATOM 0 HD21 LEU A 519 2.597 -0.620 -6.248 1.00 73.45 H new ATOM 0 HD22 LEU A 519 4.137 -0.903 -5.403 1.00 73.45 H new ATOM 0 HD23 LEU A 519 3.846 -1.644 -6.995 1.00 73.45 H new ATOM 1099 N VAL A 520 4.694 -6.384 -6.031 1.00 40.33 N ATOM 1100 CA VAL A 520 5.193 -7.676 -5.700 1.00 53.44 C ATOM 1101 C VAL A 520 6.147 -8.117 -6.788 1.00 52.24 C ATOM 1102 O VAL A 520 5.745 -8.452 -7.910 1.00 12.24 O ATOM 1103 CB VAL A 520 4.048 -8.683 -5.484 1.00 74.31 C ATOM 1104 CG1 VAL A 520 4.593 -10.052 -5.086 1.00 34.34 C ATOM 1105 CG2 VAL A 520 3.099 -8.148 -4.413 1.00 70.44 C ATOM 0 H VAL A 520 3.752 -6.383 -6.421 1.00 40.33 H new ATOM 0 HA VAL A 520 5.733 -7.632 -4.754 1.00 53.44 H new ATOM 0 HB VAL A 520 3.502 -8.805 -6.420 1.00 74.31 H new ATOM 0 HG11 VAL A 520 3.764 -10.745 -4.939 1.00 34.34 H new ATOM 0 HG12 VAL A 520 5.245 -10.428 -5.875 1.00 34.34 H new ATOM 0 HG13 VAL A 520 5.160 -9.963 -4.159 1.00 34.34 H new ATOM 0 HG21 VAL A 520 2.287 -8.859 -4.258 1.00 70.44 H new ATOM 0 HG22 VAL A 520 3.644 -8.011 -3.479 1.00 70.44 H new ATOM 0 HG23 VAL A 520 2.687 -7.192 -4.736 1.00 70.44 H new ATOM 1115 N GLY A 521 7.398 -8.053 -6.454 1.00 3.04 N ATOM 1116 CA GLY A 521 8.452 -8.305 -7.376 1.00 73.24 C ATOM 1117 C GLY A 521 9.518 -7.265 -7.193 1.00 20.43 C ATOM 1118 O GLY A 521 10.670 -7.462 -7.563 1.00 40.14 O ATOM 0 H GLY A 521 7.717 -7.819 -5.514 1.00 3.04 H new ATOM 0 HA2 GLY A 521 8.865 -9.301 -7.213 1.00 73.24 H new ATOM 0 HA3 GLY A 521 8.073 -8.280 -8.398 1.00 73.24 H new ATOM 1122 N LYS A 522 9.126 -6.142 -6.604 1.00 32.24 N ATOM 1123 CA LYS A 522 10.043 -5.073 -6.305 1.00 74.21 C ATOM 1124 C LYS A 522 10.092 -4.815 -4.800 1.00 53.14 C ATOM 1125 O LYS A 522 9.308 -5.388 -4.037 1.00 23.21 O ATOM 1126 CB LYS A 522 9.707 -3.780 -7.071 1.00 13.41 C ATOM 1127 CG LYS A 522 8.316 -3.203 -6.834 1.00 44.12 C ATOM 1128 CD LYS A 522 8.160 -1.762 -7.362 1.00 62.40 C ATOM 1129 CE LYS A 522 8.299 -1.613 -8.886 1.00 62.20 C ATOM 1130 NZ LYS A 522 9.662 -1.939 -9.414 1.00 21.23 N ATOM 0 H LYS A 522 8.163 -5.956 -6.324 1.00 32.24 H new ATOM 0 HA LYS A 522 11.030 -5.392 -6.641 1.00 74.21 H new ATOM 0 HB2 LYS A 522 10.443 -3.022 -6.804 1.00 13.41 H new ATOM 0 HB3 LYS A 522 9.821 -3.973 -8.138 1.00 13.41 H new ATOM 0 HG2 LYS A 522 7.577 -3.842 -7.317 1.00 44.12 H new ATOM 0 HG3 LYS A 522 8.101 -3.217 -5.766 1.00 44.12 H new ATOM 0 HD2 LYS A 522 7.182 -1.384 -7.062 1.00 62.40 H new ATOM 0 HD3 LYS A 522 8.907 -1.131 -6.880 1.00 62.40 H new ATOM 0 HE2 LYS A 522 7.569 -2.261 -9.371 1.00 62.20 H new ATOM 0 HE3 LYS A 522 8.050 -0.589 -9.164 1.00 62.20 H new ATOM 0 HZ1 LYS A 522 9.903 -1.281 -10.182 1.00 21.23 H new ATOM 0 HZ2 LYS A 522 10.361 -1.850 -8.649 1.00 21.23 H new ATOM 0 HZ3 LYS A 522 9.669 -2.913 -9.778 1.00 21.23 H new ATOM 1144 N SER A 523 10.997 -3.965 -4.386 1.00 50.02 N ATOM 1145 CA SER A 523 11.188 -3.657 -2.984 1.00 21.13 C ATOM 1146 C SER A 523 10.289 -2.478 -2.542 1.00 34.43 C ATOM 1147 O SER A 523 9.807 -1.706 -3.384 1.00 62.50 O ATOM 1148 CB SER A 523 12.659 -3.332 -2.761 1.00 5.11 C ATOM 1149 OG SER A 523 13.483 -4.399 -3.224 1.00 75.13 O ATOM 0 H SER A 523 11.627 -3.463 -5.012 1.00 50.02 H new ATOM 0 HA SER A 523 10.903 -4.518 -2.379 1.00 21.13 H new ATOM 0 HB2 SER A 523 12.917 -2.412 -3.285 1.00 5.11 H new ATOM 0 HB3 SER A 523 12.842 -3.157 -1.701 1.00 5.11 H new ATOM 0 HG SER A 523 14.425 -4.173 -3.075 1.00 75.13 H new ATOM 1155 N GLN A 524 10.087 -2.341 -1.222 1.00 31.42 N ATOM 1156 CA GLN A 524 9.236 -1.289 -0.647 1.00 51.32 C ATOM 1157 C GLN A 524 9.710 0.092 -1.049 1.00 35.23 C ATOM 1158 O GLN A 524 8.918 0.926 -1.450 1.00 34.45 O ATOM 1159 CB GLN A 524 9.227 -1.368 0.878 1.00 12.52 C ATOM 1160 CG GLN A 524 8.369 -0.295 1.535 1.00 52.30 C ATOM 1161 CD GLN A 524 8.448 -0.310 3.035 1.00 3.23 C ATOM 1162 OE1 GLN A 524 9.289 0.344 3.631 1.00 1.44 O ATOM 1163 NE2 GLN A 524 7.576 -1.024 3.657 1.00 71.12 N ATOM 0 H GLN A 524 10.508 -2.955 -0.525 1.00 31.42 H new ATOM 0 HA GLN A 524 8.231 -1.453 -1.035 1.00 51.32 H new ATOM 0 HB2 GLN A 524 8.863 -2.350 1.181 1.00 12.52 H new ATOM 0 HB3 GLN A 524 10.250 -1.280 1.245 1.00 12.52 H new ATOM 0 HG2 GLN A 524 8.681 0.684 1.171 1.00 52.30 H new ATOM 0 HG3 GLN A 524 7.331 -0.432 1.231 1.00 52.30 H new ATOM 0 HE21 GLN A 524 6.886 -1.560 3.130 1.00 71.12 H new ATOM 0 HE22 GLN A 524 7.575 -1.054 4.677 1.00 71.12 H new ATOM 1172 N GLU A 525 11.004 0.319 -0.935 1.00 2.40 N ATOM 1173 CA GLU A 525 11.602 1.615 -1.264 1.00 70.34 C ATOM 1174 C GLU A 525 11.327 2.025 -2.710 1.00 64.23 C ATOM 1175 O GLU A 525 11.149 3.208 -3.011 1.00 22.43 O ATOM 1176 CB GLU A 525 13.089 1.629 -0.951 1.00 22.41 C ATOM 1177 CG GLU A 525 13.381 1.438 0.524 1.00 1.23 C ATOM 1178 CD GLU A 525 14.845 1.434 0.830 1.00 44.50 C ATOM 1179 OE1 GLU A 525 15.483 0.382 0.683 1.00 12.42 O ATOM 1180 OE2 GLU A 525 15.384 2.475 1.232 1.00 64.13 O ATOM 0 H GLU A 525 11.674 -0.380 -0.614 1.00 2.40 H new ATOM 0 HA GLU A 525 11.123 2.361 -0.630 1.00 70.34 H new ATOM 0 HB2 GLU A 525 13.583 0.841 -1.519 1.00 22.41 H new ATOM 0 HB3 GLU A 525 13.516 2.576 -1.282 1.00 22.41 H new ATOM 0 HG2 GLU A 525 12.898 2.234 1.091 1.00 1.23 H new ATOM 0 HG3 GLU A 525 12.942 0.498 0.858 1.00 1.23 H new ATOM 1187 N GLU A 526 11.251 1.045 -3.586 1.00 73.13 N ATOM 1188 CA GLU A 526 10.908 1.295 -4.970 1.00 73.42 C ATOM 1189 C GLU A 526 9.473 1.792 -5.051 1.00 12.52 C ATOM 1190 O GLU A 526 9.165 2.737 -5.775 1.00 31.22 O ATOM 1191 CB GLU A 526 11.040 0.026 -5.788 1.00 13.43 C ATOM 1192 CG GLU A 526 12.449 -0.534 -5.883 1.00 14.44 C ATOM 1193 CD GLU A 526 12.488 -1.788 -6.716 1.00 12.22 C ATOM 1194 OE1 GLU A 526 12.255 -1.700 -7.945 1.00 13.40 O ATOM 1195 OE2 GLU A 526 12.699 -2.881 -6.156 1.00 41.04 O ATOM 0 H GLU A 526 11.423 0.065 -3.363 1.00 73.13 H new ATOM 0 HA GLU A 526 11.589 2.046 -5.369 1.00 73.42 H new ATOM 0 HB2 GLU A 526 10.391 -0.736 -5.356 1.00 13.43 H new ATOM 0 HB3 GLU A 526 10.674 0.222 -6.796 1.00 13.43 H new ATOM 0 HG2 GLU A 526 13.111 0.215 -6.319 1.00 14.44 H new ATOM 0 HG3 GLU A 526 12.825 -0.748 -4.883 1.00 14.44 H new ATOM 1202 N VAL A 527 8.609 1.169 -4.265 1.00 25.24 N ATOM 1203 CA VAL A 527 7.208 1.520 -4.243 1.00 44.43 C ATOM 1204 C VAL A 527 7.018 2.883 -3.594 1.00 43.23 C ATOM 1205 O VAL A 527 6.191 3.671 -4.037 1.00 41.21 O ATOM 1206 CB VAL A 527 6.342 0.468 -3.491 1.00 22.44 C ATOM 1207 CG1 VAL A 527 4.860 0.825 -3.573 1.00 31.43 C ATOM 1208 CG2 VAL A 527 6.589 -0.932 -4.026 1.00 42.04 C ATOM 0 H VAL A 527 8.862 0.412 -3.630 1.00 25.24 H new ATOM 0 HA VAL A 527 6.873 1.547 -5.280 1.00 44.43 H new ATOM 0 HB VAL A 527 6.639 0.482 -2.442 1.00 22.44 H new ATOM 0 HG11 VAL A 527 4.275 0.075 -3.040 1.00 31.43 H new ATOM 0 HG12 VAL A 527 4.696 1.803 -3.120 1.00 31.43 H new ATOM 0 HG13 VAL A 527 4.550 0.852 -4.618 1.00 31.43 H new ATOM 0 HG21 VAL A 527 5.970 -1.644 -3.481 1.00 42.04 H new ATOM 0 HG22 VAL A 527 6.335 -0.967 -5.085 1.00 42.04 H new ATOM 0 HG23 VAL A 527 7.640 -1.191 -3.896 1.00 42.04 H new ATOM 1218 N VAL A 528 7.805 3.181 -2.557 1.00 40.41 N ATOM 1219 CA VAL A 528 7.661 4.463 -1.888 1.00 54.13 C ATOM 1220 C VAL A 528 8.059 5.590 -2.812 1.00 30.40 C ATOM 1221 O VAL A 528 7.388 6.585 -2.873 1.00 42.24 O ATOM 1222 CB VAL A 528 8.387 4.591 -0.510 1.00 34.02 C ATOM 1223 CG1 VAL A 528 8.000 3.489 0.452 1.00 20.33 C ATOM 1224 CG2 VAL A 528 9.895 4.747 -0.618 1.00 12.04 C ATOM 0 H VAL A 528 8.526 2.568 -2.176 1.00 40.41 H new ATOM 0 HA VAL A 528 6.601 4.533 -1.644 1.00 54.13 H new ATOM 0 HB VAL A 528 8.026 5.530 -0.089 1.00 34.02 H new ATOM 0 HG11 VAL A 528 8.532 3.624 1.394 1.00 20.33 H new ATOM 0 HG12 VAL A 528 6.926 3.525 0.634 1.00 20.33 H new ATOM 0 HG13 VAL A 528 8.263 2.522 0.023 1.00 20.33 H new ATOM 0 HG21 VAL A 528 10.325 4.830 0.380 1.00 12.04 H new ATOM 0 HG22 VAL A 528 10.315 3.878 -1.123 1.00 12.04 H new ATOM 0 HG23 VAL A 528 10.128 5.646 -1.189 1.00 12.04 H new ATOM 1234 N SER A 529 9.128 5.397 -3.559 1.00 20.12 N ATOM 1235 CA SER A 529 9.578 6.393 -4.530 1.00 71.31 C ATOM 1236 C SER A 529 8.504 6.581 -5.617 1.00 24.13 C ATOM 1237 O SER A 529 8.173 7.714 -6.006 1.00 4.35 O ATOM 1238 CB SER A 529 10.926 5.982 -5.148 1.00 34.53 C ATOM 1239 OG SER A 529 11.375 6.945 -6.097 1.00 3.35 O ATOM 0 H SER A 529 9.708 4.559 -3.517 1.00 20.12 H new ATOM 0 HA SER A 529 9.727 7.344 -4.019 1.00 71.31 H new ATOM 0 HB2 SER A 529 11.671 5.870 -4.360 1.00 34.53 H new ATOM 0 HB3 SER A 529 10.826 5.011 -5.632 1.00 34.53 H new ATOM 0 HG SER A 529 12.234 6.659 -6.472 1.00 3.35 H new ATOM 1245 N LEU A 530 7.954 5.470 -6.061 1.00 71.15 N ATOM 1246 CA LEU A 530 6.882 5.409 -7.024 1.00 25.32 C ATOM 1247 C LEU A 530 5.641 6.155 -6.485 1.00 73.11 C ATOM 1248 O LEU A 530 4.918 6.821 -7.236 1.00 3.53 O ATOM 1249 CB LEU A 530 6.618 3.911 -7.267 1.00 42.23 C ATOM 1250 CG LEU A 530 5.383 3.466 -8.027 1.00 42.30 C ATOM 1251 CD1 LEU A 530 5.309 4.043 -9.428 1.00 10.23 C ATOM 1252 CD2 LEU A 530 5.349 1.948 -8.081 1.00 1.43 C ATOM 0 H LEU A 530 8.257 4.548 -5.746 1.00 71.15 H new ATOM 0 HA LEU A 530 7.135 5.899 -7.964 1.00 25.32 H new ATOM 0 HB2 LEU A 530 7.484 3.512 -7.796 1.00 42.23 H new ATOM 0 HB3 LEU A 530 6.589 3.426 -6.291 1.00 42.23 H new ATOM 0 HG LEU A 530 4.514 3.847 -7.491 1.00 42.30 H new ATOM 0 HD11 LEU A 530 4.404 3.688 -9.920 1.00 10.23 H new ATOM 0 HD12 LEU A 530 5.289 5.131 -9.373 1.00 10.23 H new ATOM 0 HD13 LEU A 530 6.181 3.725 -9.999 1.00 10.23 H new ATOM 0 HD21 LEU A 530 4.463 1.623 -8.626 1.00 1.43 H new ATOM 0 HD22 LEU A 530 6.242 1.582 -8.588 1.00 1.43 H new ATOM 0 HD23 LEU A 530 5.318 1.548 -7.067 1.00 1.43 H new ATOM 1264 N LEU A 531 5.441 6.073 -5.187 1.00 25.43 N ATOM 1265 CA LEU A 531 4.351 6.739 -4.516 1.00 50.11 C ATOM 1266 C LEU A 531 4.667 8.240 -4.340 1.00 21.23 C ATOM 1267 O LEU A 531 3.845 9.097 -4.648 1.00 34.24 O ATOM 1268 CB LEU A 531 4.146 6.110 -3.136 1.00 3.34 C ATOM 1269 CG LEU A 531 2.915 6.552 -2.387 1.00 21.41 C ATOM 1270 CD1 LEU A 531 1.684 6.012 -3.062 1.00 11.20 C ATOM 1271 CD2 LEU A 531 2.965 6.141 -0.931 1.00 54.24 C ATOM 0 H LEU A 531 6.040 5.534 -4.562 1.00 25.43 H new ATOM 0 HA LEU A 531 3.449 6.630 -5.118 1.00 50.11 H new ATOM 0 HB2 LEU A 531 4.107 5.027 -3.254 1.00 3.34 H new ATOM 0 HB3 LEU A 531 5.020 6.332 -2.523 1.00 3.34 H new ATOM 0 HG LEU A 531 2.878 7.641 -2.406 1.00 21.41 H new ATOM 0 HD11 LEU A 531 0.798 6.335 -2.516 1.00 11.20 H new ATOM 0 HD12 LEU A 531 1.636 6.386 -4.085 1.00 11.20 H new ATOM 0 HD13 LEU A 531 1.725 4.923 -3.076 1.00 11.20 H new ATOM 0 HD21 LEU A 531 2.060 6.478 -0.426 1.00 54.24 H new ATOM 0 HD22 LEU A 531 3.036 5.056 -0.862 1.00 54.24 H new ATOM 0 HD23 LEU A 531 3.835 6.593 -0.455 1.00 54.24 H new ATOM 1283 N ARG A 532 5.881 8.536 -3.847 1.00 15.51 N ATOM 1284 CA ARG A 532 6.322 9.918 -3.571 1.00 74.01 C ATOM 1285 C ARG A 532 6.248 10.771 -4.826 1.00 35.11 C ATOM 1286 O ARG A 532 5.810 11.919 -4.777 1.00 12.11 O ATOM 1287 CB ARG A 532 7.776 9.968 -3.032 1.00 74.22 C ATOM 1288 CG ARG A 532 8.090 9.195 -1.731 1.00 24.40 C ATOM 1289 CD ARG A 532 7.294 9.657 -0.509 1.00 3.41 C ATOM 1290 NE ARG A 532 5.864 9.319 -0.578 1.00 74.34 N ATOM 1291 CZ ARG A 532 4.904 9.864 0.197 1.00 63.52 C ATOM 1292 NH1 ARG A 532 5.208 10.812 1.072 1.00 41.41 N ATOM 1293 NH2 ARG A 532 3.649 9.448 0.095 1.00 53.53 N ATOM 0 H ARG A 532 6.583 7.829 -3.629 1.00 15.51 H new ATOM 0 HA ARG A 532 5.647 10.309 -2.810 1.00 74.01 H new ATOM 0 HB2 ARG A 532 8.436 9.591 -3.813 1.00 74.22 H new ATOM 0 HB3 ARG A 532 8.038 11.014 -2.871 1.00 74.22 H new ATOM 0 HG2 ARG A 532 7.894 8.136 -1.897 1.00 24.40 H new ATOM 0 HG3 ARG A 532 9.154 9.292 -1.514 1.00 24.40 H new ATOM 0 HD2 ARG A 532 7.723 9.206 0.386 1.00 3.41 H new ATOM 0 HD3 ARG A 532 7.399 10.737 -0.404 1.00 3.41 H new ATOM 0 HE ARG A 532 5.577 8.620 -1.263 1.00 74.34 H new ATOM 0 HH11 ARG A 532 6.172 11.133 1.162 1.00 41.41 H new ATOM 0 HH12 ARG A 532 4.478 11.221 1.655 1.00 41.41 H new ATOM 0 HH21 ARG A 532 3.408 8.714 -0.571 1.00 53.53 H new ATOM 0 HH22 ARG A 532 2.925 9.862 0.682 1.00 53.53 H new ATOM 1307 N SER A 533 6.653 10.187 -5.949 1.00 2.03 N ATOM 1308 CA SER A 533 6.682 10.883 -7.230 1.00 53.04 C ATOM 1309 C SER A 533 5.284 11.367 -7.641 1.00 21.43 C ATOM 1310 O SER A 533 5.145 12.402 -8.299 1.00 41.10 O ATOM 1311 CB SER A 533 7.273 9.970 -8.305 1.00 64.12 C ATOM 1312 OG SER A 533 8.586 9.540 -7.944 1.00 3.02 O ATOM 0 H SER A 533 6.970 9.219 -5.997 1.00 2.03 H new ATOM 0 HA SER A 533 7.314 11.765 -7.123 1.00 53.04 H new ATOM 0 HB2 SER A 533 6.628 9.103 -8.446 1.00 64.12 H new ATOM 0 HB3 SER A 533 7.308 10.499 -9.257 1.00 64.12 H new ATOM 0 HG SER A 533 8.527 8.714 -7.420 1.00 3.02 H new ATOM 1318 N THR A 534 4.260 10.629 -7.216 1.00 1.22 N ATOM 1319 CA THR A 534 2.876 10.949 -7.497 1.00 10.13 C ATOM 1320 C THR A 534 2.547 10.804 -9.007 1.00 63.43 C ATOM 1321 O THR A 534 2.220 9.705 -9.470 1.00 71.23 O ATOM 1322 CB THR A 534 2.499 12.371 -6.955 1.00 61.12 C ATOM 1323 OG1 THR A 534 2.827 12.435 -5.561 1.00 70.02 O ATOM 1324 CG2 THR A 534 1.012 12.666 -7.127 1.00 22.54 C ATOM 0 H THR A 534 4.378 9.782 -6.660 1.00 1.22 H new ATOM 0 HA THR A 534 2.260 10.223 -6.967 1.00 10.13 H new ATOM 0 HB THR A 534 3.059 13.112 -7.525 1.00 61.12 H new ATOM 0 HG1 THR A 534 3.799 12.383 -5.451 1.00 70.02 H new ATOM 0 HG21 THR A 534 0.791 13.660 -6.739 1.00 22.54 H new ATOM 0 HG22 THR A 534 0.753 12.623 -8.185 1.00 22.54 H new ATOM 0 HG23 THR A 534 0.429 11.925 -6.580 1.00 22.54 H new ATOM 1332 N LYS A 535 2.702 11.900 -9.740 1.00 60.34 N ATOM 1333 CA LYS A 535 2.424 12.027 -11.164 1.00 62.33 C ATOM 1334 C LYS A 535 2.395 13.521 -11.414 1.00 23.12 C ATOM 1335 O LYS A 535 1.954 14.262 -10.530 1.00 54.42 O ATOM 1336 CB LYS A 535 1.040 11.406 -11.529 1.00 74.24 C ATOM 1337 CG LYS A 535 0.709 11.413 -12.987 1.00 23.41 C ATOM 1338 CD LYS A 535 -0.613 10.724 -13.246 1.00 24.12 C ATOM 1339 CE LYS A 535 -0.915 10.708 -14.719 1.00 34.21 C ATOM 1340 NZ LYS A 535 -2.200 10.031 -15.045 1.00 20.34 N ATOM 0 H LYS A 535 3.044 12.771 -9.334 1.00 60.34 H new ATOM 0 HA LYS A 535 3.168 11.506 -11.766 1.00 62.33 H new ATOM 0 HB2 LYS A 535 1.015 10.377 -11.171 1.00 74.24 H new ATOM 0 HB3 LYS A 535 0.262 11.949 -10.993 1.00 74.24 H new ATOM 0 HG2 LYS A 535 0.665 12.440 -13.349 1.00 23.41 H new ATOM 0 HG3 LYS A 535 1.500 10.912 -13.546 1.00 23.41 H new ATOM 0 HD2 LYS A 535 -0.580 9.704 -12.864 1.00 24.12 H new ATOM 0 HD3 LYS A 535 -1.410 11.239 -12.710 1.00 24.12 H new ATOM 0 HE2 LYS A 535 -0.948 11.733 -15.088 1.00 34.21 H new ATOM 0 HE3 LYS A 535 -0.103 10.206 -15.245 1.00 34.21 H new ATOM 0 HZ1 LYS A 535 -2.352 10.052 -16.074 1.00 20.34 H new ATOM 0 HZ2 LYS A 535 -2.164 9.044 -14.721 1.00 20.34 H new ATOM 0 HZ3 LYS A 535 -2.982 10.524 -14.569 1.00 20.34 H new ATOM 1354 N MET A 536 2.865 13.984 -12.561 1.00 2.42 N ATOM 1355 CA MET A 536 2.879 15.430 -12.824 1.00 4.51 C ATOM 1356 C MET A 536 1.468 15.987 -12.946 1.00 63.34 C ATOM 1357 O MET A 536 1.235 17.170 -12.710 1.00 55.32 O ATOM 1358 CB MET A 536 3.750 15.803 -14.030 1.00 2.13 C ATOM 1359 CG MET A 536 5.213 15.418 -13.857 1.00 50.22 C ATOM 1360 SD MET A 536 6.276 15.956 -15.222 1.00 43.52 S ATOM 1361 CE MET A 536 6.153 17.743 -15.075 1.00 35.41 C ATOM 0 H MET A 536 3.235 13.404 -13.314 1.00 2.42 H new ATOM 0 HA MET A 536 3.343 15.902 -11.958 1.00 4.51 H new ATOM 0 HB2 MET A 536 3.355 15.313 -14.920 1.00 2.13 H new ATOM 0 HB3 MET A 536 3.682 16.877 -14.201 1.00 2.13 H new ATOM 0 HG2 MET A 536 5.585 15.849 -12.927 1.00 50.22 H new ATOM 0 HG3 MET A 536 5.285 14.335 -13.758 1.00 50.22 H new ATOM 0 HE1 MET A 536 6.986 18.210 -15.601 1.00 35.41 H new ATOM 0 HE2 MET A 536 5.213 18.080 -15.512 1.00 35.41 H new ATOM 0 HE3 MET A 536 6.185 18.025 -14.022 1.00 35.41 H new ATOM 1371 N GLU A 537 0.545 15.118 -13.324 1.00 74.43 N ATOM 1372 CA GLU A 537 -0.865 15.436 -13.339 1.00 65.32 C ATOM 1373 C GLU A 537 -1.313 15.686 -11.888 1.00 51.25 C ATOM 1374 O GLU A 537 -1.660 16.818 -11.511 1.00 21.34 O ATOM 1375 CB GLU A 537 -1.626 14.257 -14.013 1.00 13.13 C ATOM 1376 CG GLU A 537 -3.142 14.406 -14.212 1.00 42.22 C ATOM 1377 CD GLU A 537 -3.942 14.365 -12.935 1.00 41.52 C ATOM 1378 OE1 GLU A 537 -4.152 13.248 -12.390 1.00 35.12 O ATOM 1379 OE2 GLU A 537 -4.370 15.421 -12.461 1.00 75.10 O ATOM 0 H GLU A 537 0.758 14.169 -13.630 1.00 74.43 H new ATOM 0 HA GLU A 537 -1.081 16.337 -13.914 1.00 65.32 H new ATOM 0 HB2 GLU A 537 -1.175 14.082 -14.990 1.00 13.13 H new ATOM 0 HB3 GLU A 537 -1.453 13.361 -13.417 1.00 13.13 H new ATOM 0 HG2 GLU A 537 -3.339 15.350 -14.720 1.00 42.22 H new ATOM 0 HG3 GLU A 537 -3.490 13.611 -14.871 1.00 42.22 H new ATOM 1386 N GLY A 538 -1.269 14.651 -11.066 1.00 44.33 N ATOM 1387 CA GLY A 538 -1.611 14.841 -9.689 1.00 14.22 C ATOM 1388 C GLY A 538 -2.354 13.690 -9.061 1.00 31.21 C ATOM 1389 O GLY A 538 -2.207 13.450 -7.867 1.00 64.12 O ATOM 0 H GLY A 538 -1.006 13.701 -11.328 1.00 44.33 H new ATOM 0 HA2 GLY A 538 -0.697 15.018 -9.123 1.00 14.22 H new ATOM 0 HA3 GLY A 538 -2.220 15.741 -9.601 1.00 14.22 H new ATOM 1393 N THR A 539 -3.152 12.976 -9.828 1.00 2.33 N ATOM 1394 CA THR A 539 -3.903 11.881 -9.247 1.00 15.10 C ATOM 1395 C THR A 539 -3.125 10.579 -9.440 1.00 64.13 C ATOM 1396 O THR A 539 -2.469 10.378 -10.471 1.00 53.43 O ATOM 1397 CB THR A 539 -5.288 11.744 -9.893 1.00 11.33 C ATOM 1398 OG1 THR A 539 -5.808 13.056 -10.190 1.00 11.23 O ATOM 1399 CG2 THR A 539 -6.244 11.081 -8.915 1.00 61.12 C ATOM 0 H THR A 539 -3.296 13.126 -10.827 1.00 2.33 H new ATOM 0 HA THR A 539 -4.042 12.088 -8.186 1.00 15.10 H new ATOM 0 HB THR A 539 -5.196 11.149 -10.801 1.00 11.33 H new ATOM 0 HG1 THR A 539 -5.367 13.409 -10.991 1.00 11.23 H new ATOM 0 HG21 THR A 539 -7.227 10.985 -9.376 1.00 61.12 H new ATOM 0 HG22 THR A 539 -5.868 10.092 -8.652 1.00 61.12 H new ATOM 0 HG23 THR A 539 -6.324 11.690 -8.014 1.00 61.12 H new ATOM 1407 N VAL A 540 -3.173 9.737 -8.458 1.00 33.24 N ATOM 1408 CA VAL A 540 -2.477 8.477 -8.455 1.00 75.33 C ATOM 1409 C VAL A 540 -3.480 7.358 -8.259 1.00 65.11 C ATOM 1410 O VAL A 540 -4.431 7.513 -7.495 1.00 4.35 O ATOM 1411 CB VAL A 540 -1.448 8.472 -7.306 1.00 31.10 C ATOM 1412 CG1 VAL A 540 -0.668 7.194 -7.247 1.00 25.21 C ATOM 1413 CG2 VAL A 540 -0.522 9.642 -7.441 1.00 20.11 C ATOM 0 H VAL A 540 -3.711 9.906 -7.608 1.00 33.24 H new ATOM 0 HA VAL A 540 -1.958 8.332 -9.402 1.00 75.33 H new ATOM 0 HB VAL A 540 -2.002 8.553 -6.371 1.00 31.10 H new ATOM 0 HG11 VAL A 540 0.043 7.239 -6.422 1.00 25.21 H new ATOM 0 HG12 VAL A 540 -1.350 6.358 -7.092 1.00 25.21 H new ATOM 0 HG13 VAL A 540 -0.128 7.053 -8.184 1.00 25.21 H new ATOM 0 HG21 VAL A 540 0.201 9.630 -6.625 1.00 20.11 H new ATOM 0 HG22 VAL A 540 0.005 9.581 -8.393 1.00 20.11 H new ATOM 0 HG23 VAL A 540 -1.097 10.567 -7.403 1.00 20.11 H new ATOM 1423 N SER A 541 -3.273 6.247 -8.935 1.00 23.43 N ATOM 1424 CA SER A 541 -4.190 5.150 -8.855 1.00 21.20 C ATOM 1425 C SER A 541 -3.607 4.021 -8.010 1.00 72.41 C ATOM 1426 O SER A 541 -2.646 3.379 -8.386 1.00 14.33 O ATOM 1427 CB SER A 541 -4.529 4.649 -10.258 1.00 74.44 C ATOM 1428 OG SER A 541 -4.996 5.716 -11.079 1.00 55.33 O ATOM 0 H SER A 541 -2.472 6.088 -9.546 1.00 23.43 H new ATOM 0 HA SER A 541 -5.105 5.495 -8.374 1.00 21.20 H new ATOM 0 HB2 SER A 541 -3.647 4.196 -10.710 1.00 74.44 H new ATOM 0 HB3 SER A 541 -5.290 3.871 -10.197 1.00 74.44 H new ATOM 0 HG SER A 541 -5.054 5.412 -12.009 1.00 55.33 H new ATOM 1434 N LEU A 542 -4.214 3.790 -6.898 1.00 44.03 N ATOM 1435 CA LEU A 542 -3.817 2.772 -5.970 1.00 15.35 C ATOM 1436 C LEU A 542 -4.752 1.612 -6.131 1.00 41.43 C ATOM 1437 O LEU A 542 -5.954 1.758 -5.949 1.00 15.01 O ATOM 1438 CB LEU A 542 -3.937 3.295 -4.509 1.00 11.53 C ATOM 1439 CG LEU A 542 -3.006 4.442 -4.060 1.00 51.32 C ATOM 1440 CD1 LEU A 542 -1.557 4.040 -4.212 1.00 41.11 C ATOM 1441 CD2 LEU A 542 -3.286 5.741 -4.809 1.00 74.14 C ATOM 0 H LEU A 542 -5.030 4.320 -6.593 1.00 44.03 H new ATOM 0 HA LEU A 542 -2.784 2.485 -6.164 1.00 15.35 H new ATOM 0 HB2 LEU A 542 -4.965 3.624 -4.358 1.00 11.53 H new ATOM 0 HB3 LEU A 542 -3.770 2.451 -3.840 1.00 11.53 H new ATOM 0 HG LEU A 542 -3.212 4.630 -3.006 1.00 51.32 H new ATOM 0 HD11 LEU A 542 -0.916 4.861 -3.891 1.00 41.11 H new ATOM 0 HD12 LEU A 542 -1.357 3.162 -3.598 1.00 41.11 H new ATOM 0 HD13 LEU A 542 -1.352 3.807 -5.257 1.00 41.11 H new ATOM 0 HD21 LEU A 542 -2.606 6.517 -4.458 1.00 74.14 H new ATOM 0 HD22 LEU A 542 -3.137 5.584 -5.877 1.00 74.14 H new ATOM 0 HD23 LEU A 542 -4.315 6.051 -4.628 1.00 74.14 H new ATOM 1453 N LEU A 543 -4.239 0.489 -6.488 1.00 45.33 N ATOM 1454 CA LEU A 543 -5.050 -0.678 -6.589 1.00 33.20 C ATOM 1455 C LEU A 543 -4.709 -1.502 -5.377 1.00 75.22 C ATOM 1456 O LEU A 543 -3.554 -1.946 -5.194 1.00 3.23 O ATOM 1457 CB LEU A 543 -4.743 -1.392 -7.935 1.00 63.20 C ATOM 1458 CG LEU A 543 -5.557 -2.631 -8.388 1.00 31.22 C ATOM 1459 CD1 LEU A 543 -5.329 -3.826 -7.516 1.00 64.22 C ATOM 1460 CD2 LEU A 543 -7.033 -2.316 -8.507 1.00 13.31 C ATOM 0 H LEU A 543 -3.255 0.350 -6.717 1.00 45.33 H new ATOM 0 HA LEU A 543 -6.121 -0.475 -6.600 1.00 33.20 H new ATOM 0 HB2 LEU A 543 -4.838 -0.643 -8.722 1.00 63.20 H new ATOM 0 HB3 LEU A 543 -3.696 -1.692 -7.905 1.00 63.20 H new ATOM 0 HG LEU A 543 -5.187 -2.891 -9.380 1.00 31.22 H new ATOM 0 HD11 LEU A 543 -5.925 -4.662 -7.882 1.00 64.22 H new ATOM 0 HD12 LEU A 543 -4.273 -4.096 -7.537 1.00 64.22 H new ATOM 0 HD13 LEU A 543 -5.623 -3.591 -6.493 1.00 64.22 H new ATOM 0 HD21 LEU A 543 -7.571 -3.209 -8.827 1.00 13.31 H new ATOM 0 HD22 LEU A 543 -7.414 -1.989 -7.540 1.00 13.31 H new ATOM 0 HD23 LEU A 543 -7.178 -1.523 -9.241 1.00 13.31 H new ATOM 1472 N VAL A 544 -5.680 -1.677 -4.545 1.00 24.15 N ATOM 1473 CA VAL A 544 -5.495 -2.330 -3.286 1.00 51.54 C ATOM 1474 C VAL A 544 -6.302 -3.586 -3.201 1.00 44.23 C ATOM 1475 O VAL A 544 -7.243 -3.780 -3.959 1.00 11.22 O ATOM 1476 CB VAL A 544 -5.861 -1.406 -2.085 1.00 41.10 C ATOM 1477 CG1 VAL A 544 -4.951 -0.190 -2.035 1.00 73.44 C ATOM 1478 CG2 VAL A 544 -7.323 -0.976 -2.148 1.00 45.11 C ATOM 0 H VAL A 544 -6.637 -1.368 -4.719 1.00 24.15 H new ATOM 0 HA VAL A 544 -4.435 -2.576 -3.224 1.00 51.54 H new ATOM 0 HB VAL A 544 -5.714 -1.981 -1.170 1.00 41.10 H new ATOM 0 HG11 VAL A 544 -5.228 0.437 -1.188 1.00 73.44 H new ATOM 0 HG12 VAL A 544 -3.916 -0.514 -1.923 1.00 73.44 H new ATOM 0 HG13 VAL A 544 -5.055 0.380 -2.958 1.00 73.44 H new ATOM 0 HG21 VAL A 544 -7.550 -0.332 -1.298 1.00 45.11 H new ATOM 0 HG22 VAL A 544 -7.502 -0.430 -3.074 1.00 45.11 H new ATOM 0 HG23 VAL A 544 -7.963 -1.858 -2.117 1.00 45.11 H new ATOM 1488 N PHE A 545 -5.923 -4.422 -2.298 1.00 10.54 N ATOM 1489 CA PHE A 545 -6.604 -5.630 -2.029 1.00 21.14 C ATOM 1490 C PHE A 545 -7.225 -5.530 -0.670 1.00 53.11 C ATOM 1491 O PHE A 545 -6.528 -5.348 0.341 1.00 32.33 O ATOM 1492 CB PHE A 545 -5.652 -6.832 -2.092 1.00 50.45 C ATOM 1493 CG PHE A 545 -6.309 -8.164 -1.807 1.00 42.12 C ATOM 1494 CD1 PHE A 545 -7.000 -8.837 -2.800 1.00 23.42 C ATOM 1495 CD2 PHE A 545 -6.237 -8.735 -0.542 1.00 32.34 C ATOM 1496 CE1 PHE A 545 -7.606 -10.050 -2.542 1.00 55.11 C ATOM 1497 CE2 PHE A 545 -6.840 -9.949 -0.278 1.00 41.41 C ATOM 1498 CZ PHE A 545 -7.526 -10.608 -1.280 1.00 55.23 C ATOM 0 H PHE A 545 -5.103 -4.274 -1.710 1.00 10.54 H new ATOM 0 HA PHE A 545 -7.373 -5.785 -2.785 1.00 21.14 H new ATOM 0 HB2 PHE A 545 -5.198 -6.869 -3.082 1.00 50.45 H new ATOM 0 HB3 PHE A 545 -4.844 -6.678 -1.376 1.00 50.45 H new ATOM 0 HD1 PHE A 545 -7.066 -8.408 -3.789 1.00 23.42 H new ATOM 0 HD2 PHE A 545 -5.703 -8.223 0.245 1.00 32.34 H new ATOM 0 HE1 PHE A 545 -8.143 -10.563 -3.326 1.00 55.11 H new ATOM 0 HE2 PHE A 545 -6.776 -10.382 0.709 1.00 41.41 H new ATOM 0 HZ PHE A 545 -7.999 -11.558 -1.077 1.00 55.23 H new ATOM 1508 N ARG A 546 -8.505 -5.609 -0.650 1.00 74.14 N ATOM 1509 CA ARG A 546 -9.243 -5.601 0.553 1.00 5.52 C ATOM 1510 C ARG A 546 -9.724 -6.979 0.803 1.00 54.22 C ATOM 1511 O ARG A 546 -10.266 -7.624 -0.095 1.00 2.55 O ATOM 1512 CB ARG A 546 -10.388 -4.621 0.472 1.00 50.11 C ATOM 1513 CG ARG A 546 -11.262 -4.575 1.707 1.00 33.32 C ATOM 1514 CD ARG A 546 -12.157 -3.375 1.656 1.00 4.00 C ATOM 1515 NE ARG A 546 -11.354 -2.150 1.662 1.00 64.12 N ATOM 1516 CZ ARG A 546 -11.770 -0.929 1.329 1.00 51.23 C ATOM 1517 NH1 ARG A 546 -13.032 -0.719 0.932 1.00 21.34 N ATOM 1518 NH2 ARG A 546 -10.917 0.081 1.395 1.00 51.20 N ATOM 0 H ARG A 546 -9.079 -5.683 -1.490 1.00 74.14 H new ATOM 0 HA ARG A 546 -8.613 -5.278 1.382 1.00 5.52 H new ATOM 0 HB2 ARG A 546 -9.985 -3.625 0.290 1.00 50.11 H new ATOM 0 HB3 ARG A 546 -11.008 -4.876 -0.387 1.00 50.11 H new ATOM 0 HG2 ARG A 546 -11.861 -5.483 1.773 1.00 33.32 H new ATOM 0 HG3 ARG A 546 -10.640 -4.538 2.602 1.00 33.32 H new ATOM 0 HD2 ARG A 546 -12.775 -3.410 0.759 1.00 4.00 H new ATOM 0 HD3 ARG A 546 -12.834 -3.380 2.510 1.00 4.00 H new ATOM 0 HE ARG A 546 -10.380 -2.241 1.950 1.00 64.12 H new ATOM 0 HH11 ARG A 546 -13.687 -1.499 0.882 1.00 21.34 H new ATOM 0 HH12 ARG A 546 -13.338 0.221 0.680 1.00 21.34 H new ATOM 0 HH21 ARG A 546 -9.957 -0.082 1.697 1.00 51.20 H new ATOM 0 HH22 ARG A 546 -11.220 1.022 1.143 1.00 51.20 H new ATOM 1532 N GLN A 547 -9.533 -7.439 1.989 1.00 30.13 N ATOM 1533 CA GLN A 547 -9.878 -8.789 2.320 1.00 43.30 C ATOM 1534 C GLN A 547 -11.373 -8.906 2.554 1.00 52.01 C ATOM 1535 O GLN A 547 -11.990 -8.045 3.208 1.00 63.33 O ATOM 1536 CB GLN A 547 -9.060 -9.283 3.515 1.00 62.11 C ATOM 1537 CG GLN A 547 -9.241 -8.486 4.791 1.00 61.32 C ATOM 1538 CD GLN A 547 -8.392 -9.024 5.914 1.00 42.44 C ATOM 1539 OE1 GLN A 547 -7.246 -8.599 6.109 1.00 31.34 O ATOM 1540 NE2 GLN A 547 -8.917 -9.970 6.641 1.00 65.10 N ATOM 0 H GLN A 547 -9.136 -6.899 2.758 1.00 30.13 H new ATOM 0 HA GLN A 547 -9.628 -9.437 1.480 1.00 43.30 H new ATOM 0 HB2 GLN A 547 -9.325 -10.322 3.713 1.00 62.11 H new ATOM 0 HB3 GLN A 547 -8.004 -9.270 3.243 1.00 62.11 H new ATOM 0 HG2 GLN A 547 -8.982 -7.443 4.608 1.00 61.32 H new ATOM 0 HG3 GLN A 547 -10.290 -8.507 5.087 1.00 61.32 H new ATOM 0 HE21 GLN A 547 -9.865 -10.294 6.449 1.00 65.10 H new ATOM 0 HE22 GLN A 547 -8.380 -10.386 7.401 1.00 65.10 H new ATOM 1549 N GLU A 548 -11.957 -9.926 1.995 1.00 24.11 N ATOM 1550 CA GLU A 548 -13.372 -10.116 2.070 1.00 13.43 C ATOM 1551 C GLU A 548 -13.683 -11.260 3.008 1.00 43.23 C ATOM 1552 O GLU A 548 -13.513 -12.440 2.669 1.00 11.35 O ATOM 1553 CB GLU A 548 -13.940 -10.375 0.681 1.00 32.11 C ATOM 1554 CG GLU A 548 -15.449 -10.439 0.600 1.00 35.03 C ATOM 1555 CD GLU A 548 -15.930 -10.712 -0.801 1.00 73.40 C ATOM 1556 OE1 GLU A 548 -15.859 -9.808 -1.657 1.00 64.42 O ATOM 1557 OE2 GLU A 548 -16.374 -11.831 -1.078 1.00 3.23 O ATOM 0 H GLU A 548 -11.462 -10.650 1.474 1.00 24.11 H new ATOM 0 HA GLU A 548 -13.840 -9.213 2.462 1.00 13.43 H new ATOM 0 HB2 GLU A 548 -13.590 -9.589 0.011 1.00 32.11 H new ATOM 0 HB3 GLU A 548 -13.533 -11.315 0.310 1.00 32.11 H new ATOM 0 HG2 GLU A 548 -15.815 -11.220 1.267 1.00 35.03 H new ATOM 0 HG3 GLU A 548 -15.871 -9.497 0.951 1.00 35.03 H new ATOM 1564 N ASP A 549 -14.085 -10.912 4.185 1.00 1.21 N ATOM 1565 CA ASP A 549 -14.427 -11.875 5.201 1.00 65.11 C ATOM 1566 C ASP A 549 -15.867 -11.685 5.539 1.00 22.40 C ATOM 1567 O ASP A 549 -16.172 -10.885 6.448 1.00 37.76 O ATOM 1568 CB ASP A 549 -13.564 -11.705 6.469 1.00 74.14 C ATOM 1569 CG ASP A 549 -12.084 -11.915 6.243 1.00 35.50 C ATOM 1570 OD1 ASP A 549 -11.376 -10.949 5.876 1.00 74.33 O ATOM 1571 OD2 ASP A 549 -11.593 -13.041 6.449 1.00 43.14 O ATOM 1572 OXT ASP A 549 -16.718 -12.273 4.852 1.00 37.76 O ATOM 0 H ASP A 549 -14.189 -9.941 4.481 1.00 1.21 H new ATOM 0 HA ASP A 549 -14.240 -12.879 4.820 1.00 65.11 H new ATOM 0 HB2 ASP A 549 -13.721 -10.704 6.870 1.00 74.14 H new ATOM 0 HB3 ASP A 549 -13.908 -12.409 7.226 1.00 74.14 H new TER 1577 ASP A 549