USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 514 ASN :FLIP amide:sc= 0.461 F(o=-2.2,f=1.6) USER MOD Set 1.2: A 534 THR OG1 : rot -56:sc= 1.16 USER MOD Set 2.1: A 472 SER OG : rot 133:sc= 0.256 USER MOD Set 2.2: A 522 THR OG1 : rot -114:sc= -1.7! USER MOD Single : A 441 THR OG1 : rot 65:sc= 0.278 USER MOD Single : A 445 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.029) USER MOD Single : A 453 ASN :FLIP amide:sc= -1.47 F(o=-3!,f=-1.5) USER MOD Single : A 454 LYS NZ :NH3+ -173:sc=-0.00926 (180deg=-0.0986) USER MOD Single : A 458 TYR OH : rot -146:sc= 0.938 USER MOD Single : A 461 HIS : +bothHN:sc= 0.709 K(o=0.71,f=-3!) USER MOD Single : A 463 LYS NZ :NH3+ 153:sc= 2.33 (180deg=1.68) USER MOD Single : A 464 ASN : amide:sc= -0.414 K(o=-0.41,f=-7!) USER MOD Single : A 473 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 TYR OH : rot 29:sc= 0.62 USER MOD Single : A 480 ASN : amide:sc= -0.413 K(o=-0.41,f=-4.8!) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ 164:sc= -0.0558 (180deg=-0.331) USER MOD Single : A 486 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 488 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 SER OG : rot 180:sc= 0 USER MOD Single : A 494 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.946) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 SER OG : rot 35:sc= 0.512 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 507 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 MET CE :methyl -162:sc= -0.0994 (180deg=-0.561) USER MOD Single : A 511 TYR OH : rot -107:sc= -3.08! USER MOD Single : A 516 THR OG1 : rot -150:sc= 0 USER MOD Single : A 521 ASN : amide:sc=-0.00901 X(o=-0.009,f=-0.34) USER MOD Single : A 527 ASN : amide:sc= -0.9 K(o=-0.9,f=-5.8!) USER MOD Single : A 529 ASN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 530 ASN : amide:sc= -1.73! C(o=-1.7!,f=-8.3!) USER MOD Single : A 531 ASN : amide:sc= 0.0874 K(o=0.087,f=-2.7!) USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PHE A 437 -7.475 13.537 16.589 1.00 34.51 N ATOM 36 CA PHE A 437 -6.933 13.501 15.228 1.00 73.53 C ATOM 37 C PHE A 437 -6.558 12.057 14.853 1.00 42.24 C ATOM 38 O PHE A 437 -5.905 11.359 15.631 1.00 21.45 O ATOM 39 CB PHE A 437 -5.693 14.398 15.105 1.00 41.32 C ATOM 40 CG PHE A 437 -5.921 15.833 15.501 1.00 21.13 C ATOM 41 CD1 PHE A 437 -6.521 16.725 14.624 1.00 24.04 C ATOM 42 CD2 PHE A 437 -5.530 16.292 16.751 1.00 72.51 C ATOM 43 CE1 PHE A 437 -6.724 18.043 14.986 1.00 64.03 C ATOM 44 CE2 PHE A 437 -5.730 17.608 17.116 1.00 20.01 C ATOM 45 CZ PHE A 437 -6.329 18.483 16.234 1.00 73.11 C ATOM 0 HA PHE A 437 -7.700 13.872 14.548 1.00 73.53 H new ATOM 0 HB2 PHE A 437 -4.898 13.985 15.725 1.00 41.32 H new ATOM 0 HB3 PHE A 437 -5.340 14.370 14.074 1.00 41.32 H new ATOM 0 HD1 PHE A 437 -6.833 16.385 13.647 1.00 24.04 H new ATOM 0 HD2 PHE A 437 -5.063 15.611 17.447 1.00 72.51 H new ATOM 0 HE1 PHE A 437 -7.191 18.728 14.294 1.00 64.03 H new ATOM 0 HE2 PHE A 437 -5.418 17.952 18.091 1.00 20.01 H new ATOM 0 HZ PHE A 437 -6.489 19.512 16.519 1.00 73.11 H new ATOM 55 N PRO A 438 -6.979 11.580 13.669 1.00 3.11 N ATOM 56 CA PRO A 438 -6.659 10.221 13.213 1.00 51.52 C ATOM 57 C PRO A 438 -5.197 10.038 12.773 1.00 33.40 C ATOM 58 O PRO A 438 -4.413 10.987 12.715 1.00 41.41 O ATOM 59 CB PRO A 438 -7.607 10.017 12.028 1.00 23.13 C ATOM 60 CG PRO A 438 -7.858 11.388 11.505 1.00 31.40 C ATOM 61 CD PRO A 438 -7.809 12.313 12.694 1.00 71.44 C ATOM 0 HA PRO A 438 -6.781 9.497 14.019 1.00 51.52 H new ATOM 0 HB2 PRO A 438 -7.158 9.379 11.267 1.00 23.13 H new ATOM 0 HB3 PRO A 438 -8.534 9.536 12.341 1.00 23.13 H new ATOM 0 HG2 PRO A 438 -7.106 11.665 10.766 1.00 31.40 H new ATOM 0 HG3 PRO A 438 -8.827 11.443 11.010 1.00 31.40 H new ATOM 0 HD2 PRO A 438 -7.368 13.276 12.435 1.00 71.44 H new ATOM 0 HD3 PRO A 438 -8.806 12.514 13.087 1.00 71.44 H new ATOM 69 N ASP A 439 -4.849 8.793 12.477 1.00 20.55 N ATOM 70 CA ASP A 439 -3.509 8.435 12.020 1.00 62.43 C ATOM 71 C ASP A 439 -3.585 7.171 11.154 1.00 71.44 C ATOM 72 O ASP A 439 -3.872 6.087 11.661 1.00 20.14 O ATOM 73 CB ASP A 439 -2.591 8.202 13.228 1.00 15.41 C ATOM 74 CG ASP A 439 -1.140 7.981 12.839 1.00 73.31 C ATOM 75 OD1 ASP A 439 -0.784 6.850 12.457 1.00 32.42 O ATOM 76 OD2 ASP A 439 -0.340 8.938 12.931 1.00 53.12 O ATOM 0 H ASP A 439 -5.487 8.000 12.546 1.00 20.55 H new ATOM 0 HA ASP A 439 -3.098 9.249 11.423 1.00 62.43 H new ATOM 0 HB2 ASP A 439 -2.655 9.061 13.897 1.00 15.41 H new ATOM 0 HB3 ASP A 439 -2.947 7.336 13.786 1.00 15.41 H new ATOM 81 N LEU A 440 -3.373 7.316 9.853 1.00 54.51 N ATOM 82 CA LEU A 440 -3.432 6.178 8.929 1.00 23.03 C ATOM 83 C LEU A 440 -2.028 5.752 8.485 1.00 52.53 C ATOM 84 O LEU A 440 -1.083 6.525 8.558 1.00 72.45 O ATOM 85 CB LEU A 440 -4.286 6.538 7.708 1.00 63.33 C ATOM 86 CG LEU A 440 -5.735 6.945 8.026 1.00 64.43 C ATOM 87 CD1 LEU A 440 -6.458 7.395 6.760 1.00 40.54 C ATOM 88 CD2 LEU A 440 -6.488 5.797 8.705 1.00 61.14 C ATOM 0 H LEU A 440 -3.158 8.208 9.408 1.00 54.51 H new ATOM 0 HA LEU A 440 -3.889 5.338 9.452 1.00 23.03 H new ATOM 0 HB2 LEU A 440 -3.803 7.357 7.174 1.00 63.33 H new ATOM 0 HB3 LEU A 440 -4.305 5.684 7.032 1.00 63.33 H new ATOM 0 HG LEU A 440 -5.707 7.786 8.719 1.00 64.43 H new ATOM 0 HD11 LEU A 440 -7.481 7.679 7.007 1.00 40.54 H new ATOM 0 HD12 LEU A 440 -5.938 8.251 6.329 1.00 40.54 H new ATOM 0 HD13 LEU A 440 -6.472 6.578 6.039 1.00 40.54 H new ATOM 0 HD21 LEU A 440 -7.510 6.109 8.920 1.00 61.14 H new ATOM 0 HD22 LEU A 440 -6.505 4.931 8.043 1.00 61.14 H new ATOM 0 HD23 LEU A 440 -5.986 5.533 9.636 1.00 61.14 H new ATOM 100 N THR A 441 -1.887 4.502 8.058 1.00 22.40 N ATOM 101 CA THR A 441 -0.597 4.009 7.560 1.00 13.35 C ATOM 102 C THR A 441 -0.754 2.742 6.715 1.00 71.11 C ATOM 103 O THR A 441 -1.673 1.944 6.928 1.00 51.43 O ATOM 104 CB THR A 441 0.399 3.743 8.717 1.00 44.10 C ATOM 105 OG1 THR A 441 1.563 3.045 8.236 1.00 55.03 O ATOM 106 CG2 THR A 441 -0.255 2.944 9.837 1.00 60.41 C ATOM 0 H THR A 441 -2.639 3.813 8.044 1.00 22.40 H new ATOM 0 HA THR A 441 -0.194 4.798 6.925 1.00 13.35 H new ATOM 0 HB THR A 441 0.704 4.711 9.116 1.00 44.10 H new ATOM 0 HG1 THR A 441 2.049 3.616 7.605 1.00 55.03 H new ATOM 0 HG21 THR A 441 0.469 2.774 10.633 1.00 60.41 H new ATOM 0 HG22 THR A 441 -1.105 3.500 10.232 1.00 60.41 H new ATOM 0 HG23 THR A 441 -0.598 1.985 9.448 1.00 60.41 H new ATOM 114 N VAL A 442 0.151 2.566 5.749 1.00 11.44 N ATOM 115 CA VAL A 442 0.114 1.412 4.844 1.00 64.40 C ATOM 116 C VAL A 442 1.410 0.585 4.926 1.00 11.31 C ATOM 117 O VAL A 442 2.498 1.123 5.152 1.00 73.13 O ATOM 118 CB VAL A 442 -0.109 1.859 3.374 1.00 71.14 C ATOM 119 CG1 VAL A 442 -1.457 2.561 3.213 1.00 63.13 C ATOM 120 CG2 VAL A 442 1.028 2.767 2.906 1.00 33.15 C ATOM 0 H VAL A 442 0.922 3.210 5.572 1.00 11.44 H new ATOM 0 HA VAL A 442 -0.722 0.791 5.164 1.00 64.40 H new ATOM 0 HB VAL A 442 -0.115 0.966 2.749 1.00 71.14 H new ATOM 0 HG11 VAL A 442 -1.588 2.864 2.174 1.00 63.13 H new ATOM 0 HG12 VAL A 442 -2.259 1.879 3.496 1.00 63.13 H new ATOM 0 HG13 VAL A 442 -1.487 3.442 3.854 1.00 63.13 H new ATOM 0 HG21 VAL A 442 0.851 3.068 1.873 1.00 33.15 H new ATOM 0 HG22 VAL A 442 1.071 3.652 3.540 1.00 33.15 H new ATOM 0 HG23 VAL A 442 1.974 2.229 2.970 1.00 33.15 H new ATOM 130 N GLU A 443 1.282 -0.727 4.730 1.00 12.33 N ATOM 131 CA GLU A 443 2.431 -1.645 4.766 1.00 21.43 C ATOM 132 C GLU A 443 2.327 -2.709 3.658 1.00 23.34 C ATOM 133 O GLU A 443 1.263 -3.284 3.439 1.00 23.54 O ATOM 134 CB GLU A 443 2.515 -2.324 6.145 1.00 64.30 C ATOM 135 CG GLU A 443 2.812 -1.360 7.293 1.00 15.21 C ATOM 136 CD GLU A 443 2.766 -2.025 8.660 1.00 11.12 C ATOM 137 OE1 GLU A 443 3.722 -2.751 9.007 1.00 5.43 O ATOM 138 OE2 GLU A 443 1.784 -1.810 9.404 1.00 50.33 O ATOM 0 H GLU A 443 0.390 -1.185 4.543 1.00 12.33 H new ATOM 0 HA GLU A 443 3.337 -1.065 4.593 1.00 21.43 H new ATOM 0 HB2 GLU A 443 1.573 -2.834 6.346 1.00 64.30 H new ATOM 0 HB3 GLU A 443 3.291 -3.089 6.116 1.00 64.30 H new ATOM 0 HG2 GLU A 443 3.798 -0.919 7.143 1.00 15.21 H new ATOM 0 HG3 GLU A 443 2.091 -0.543 7.269 1.00 15.21 H new ATOM 145 N ILE A 444 3.437 -2.962 2.962 1.00 61.01 N ATOM 146 CA ILE A 444 3.469 -3.948 1.871 1.00 24.35 C ATOM 147 C ILE A 444 4.273 -5.194 2.279 1.00 21.15 C ATOM 148 O ILE A 444 5.389 -5.080 2.784 1.00 5.10 O ATOM 149 CB ILE A 444 4.098 -3.344 0.586 1.00 15.13 C ATOM 150 CG1 ILE A 444 3.364 -2.055 0.180 1.00 61.55 C ATOM 151 CG2 ILE A 444 4.073 -4.360 -0.559 1.00 32.12 C ATOM 152 CD1 ILE A 444 3.967 -1.357 -1.025 1.00 10.15 C ATOM 0 H ILE A 444 4.329 -2.498 3.132 1.00 61.01 H new ATOM 0 HA ILE A 444 2.437 -4.232 1.666 1.00 24.35 H new ATOM 0 HB ILE A 444 5.138 -3.096 0.799 1.00 15.13 H new ATOM 0 HG12 ILE A 444 2.322 -2.294 -0.035 1.00 61.55 H new ATOM 0 HG13 ILE A 444 3.366 -1.366 1.025 1.00 61.55 H new ATOM 0 HG21 ILE A 444 4.518 -3.916 -1.449 1.00 32.12 H new ATOM 0 HG22 ILE A 444 4.641 -5.245 -0.272 1.00 32.12 H new ATOM 0 HG23 ILE A 444 3.042 -4.643 -0.772 1.00 32.12 H new ATOM 0 HD11 ILE A 444 3.394 -0.457 -1.249 1.00 10.15 H new ATOM 0 HD12 ILE A 444 5.000 -1.085 -0.809 1.00 10.15 H new ATOM 0 HD13 ILE A 444 3.941 -2.027 -1.884 1.00 10.15 H new ATOM 164 N LYS A 445 3.705 -6.377 2.053 1.00 63.13 N ATOM 165 CA LYS A 445 4.375 -7.638 2.405 1.00 54.20 C ATOM 166 C LYS A 445 4.283 -8.652 1.249 1.00 31.32 C ATOM 167 O LYS A 445 3.284 -8.692 0.532 1.00 45.03 O ATOM 168 CB LYS A 445 3.739 -8.232 3.676 1.00 24.51 C ATOM 169 CG LYS A 445 4.626 -9.240 4.404 1.00 62.25 C ATOM 170 CD LYS A 445 5.875 -8.569 4.973 1.00 51.22 C ATOM 171 CE LYS A 445 6.717 -9.529 5.804 1.00 24.51 C ATOM 172 NZ LYS A 445 7.229 -10.673 5.003 1.00 61.42 N ATOM 0 H LYS A 445 2.785 -6.494 1.629 1.00 63.13 H new ATOM 0 HA LYS A 445 5.428 -7.427 2.592 1.00 54.20 H new ATOM 0 HB2 LYS A 445 3.493 -7.420 4.360 1.00 24.51 H new ATOM 0 HB3 LYS A 445 2.801 -8.717 3.407 1.00 24.51 H new ATOM 0 HG2 LYS A 445 4.062 -9.708 5.211 1.00 62.25 H new ATOM 0 HG3 LYS A 445 4.918 -10.034 3.717 1.00 62.25 H new ATOM 0 HD2 LYS A 445 6.478 -8.175 4.155 1.00 51.22 H new ATOM 0 HD3 LYS A 445 5.580 -7.720 5.590 1.00 51.22 H new ATOM 0 HE2 LYS A 445 7.558 -8.988 6.238 1.00 24.51 H new ATOM 0 HE3 LYS A 445 6.119 -9.908 6.633 1.00 24.51 H new ATOM 0 HZ1 LYS A 445 7.864 -11.251 5.590 1.00 61.42 H new ATOM 0 HZ2 LYS A 445 6.430 -11.255 4.680 1.00 61.42 H new ATOM 0 HZ3 LYS A 445 7.751 -10.313 4.179 1.00 61.42 H new ATOM 186 N GLY A 446 5.329 -9.463 1.070 1.00 24.32 N ATOM 187 CA GLY A 446 5.318 -10.479 0.016 1.00 15.12 C ATOM 188 C GLY A 446 6.713 -10.919 -0.440 1.00 52.43 C ATOM 189 O GLY A 446 7.721 -10.557 0.175 1.00 14.12 O ATOM 0 H GLY A 446 6.180 -9.437 1.631 1.00 24.32 H new ATOM 0 HA2 GLY A 446 4.771 -11.352 0.373 1.00 15.12 H new ATOM 0 HA3 GLY A 446 4.772 -10.090 -0.843 1.00 15.12 H new ATOM 193 N PRO A 447 6.798 -11.714 -1.528 1.00 54.22 N ATOM 194 CA PRO A 447 8.083 -12.202 -2.068 1.00 42.14 C ATOM 195 C PRO A 447 8.930 -11.085 -2.708 1.00 15.54 C ATOM 196 O PRO A 447 8.486 -10.404 -3.633 1.00 53.42 O ATOM 197 CB PRO A 447 7.652 -13.237 -3.120 1.00 34.41 C ATOM 198 CG PRO A 447 6.285 -12.805 -3.538 1.00 71.31 C ATOM 199 CD PRO A 447 5.646 -12.207 -2.311 1.00 41.44 C ATOM 0 HA PRO A 447 8.723 -12.609 -1.286 1.00 42.14 H new ATOM 0 HB2 PRO A 447 8.339 -13.251 -3.966 1.00 34.41 H new ATOM 0 HB3 PRO A 447 7.639 -14.244 -2.703 1.00 34.41 H new ATOM 0 HG2 PRO A 447 6.336 -12.075 -4.346 1.00 71.31 H new ATOM 0 HG3 PRO A 447 5.705 -13.650 -3.908 1.00 71.31 H new ATOM 0 HD2 PRO A 447 4.961 -11.400 -2.568 1.00 41.44 H new ATOM 0 HD3 PRO A 447 5.071 -12.948 -1.756 1.00 41.44 H new ATOM 207 N ASP A 448 10.156 -10.914 -2.218 1.00 75.02 N ATOM 208 CA ASP A 448 11.051 -9.852 -2.702 1.00 24.42 C ATOM 209 C ASP A 448 11.810 -10.264 -3.979 1.00 21.14 C ATOM 210 O ASP A 448 12.483 -9.444 -4.598 1.00 25.43 O ATOM 211 CB ASP A 448 12.038 -9.466 -1.593 1.00 1.33 C ATOM 212 CG ASP A 448 12.818 -10.659 -1.073 1.00 4.42 C ATOM 213 OD1 ASP A 448 12.205 -11.543 -0.433 1.00 73.42 O ATOM 214 OD2 ASP A 448 14.043 -10.728 -1.299 1.00 70.13 O ATOM 0 H ASP A 448 10.558 -11.497 -1.484 1.00 75.02 H new ATOM 0 HA ASP A 448 10.436 -8.991 -2.963 1.00 24.42 H new ATOM 0 HB2 ASP A 448 12.734 -8.718 -1.974 1.00 1.33 H new ATOM 0 HB3 ASP A 448 11.493 -9.005 -0.770 1.00 1.33 H new ATOM 219 N VAL A 449 11.708 -11.536 -4.361 1.00 53.44 N ATOM 220 CA VAL A 449 12.341 -12.037 -5.592 1.00 41.43 C ATOM 221 C VAL A 449 11.343 -12.858 -6.423 1.00 23.32 C ATOM 222 O VAL A 449 10.810 -13.862 -5.948 1.00 41.24 O ATOM 223 CB VAL A 449 13.588 -12.915 -5.289 1.00 14.13 C ATOM 224 CG1 VAL A 449 14.217 -13.436 -6.582 1.00 34.14 C ATOM 225 CG2 VAL A 449 14.616 -12.138 -4.464 1.00 71.53 C ATOM 0 H VAL A 449 11.193 -12.244 -3.838 1.00 53.44 H new ATOM 0 HA VAL A 449 12.661 -11.162 -6.157 1.00 41.43 H new ATOM 0 HB VAL A 449 13.259 -13.772 -4.702 1.00 14.13 H new ATOM 0 HG11 VAL A 449 15.087 -14.047 -6.343 1.00 34.14 H new ATOM 0 HG12 VAL A 449 13.488 -14.039 -7.124 1.00 34.14 H new ATOM 0 HG13 VAL A 449 14.524 -12.594 -7.202 1.00 34.14 H new ATOM 0 HG21 VAL A 449 15.479 -12.774 -4.265 1.00 71.53 H new ATOM 0 HG22 VAL A 449 14.936 -11.256 -5.018 1.00 71.53 H new ATOM 0 HG23 VAL A 449 14.167 -11.830 -3.520 1.00 71.53 H new ATOM 235 N VAL A 450 11.092 -12.435 -7.664 1.00 21.01 N ATOM 236 CA VAL A 450 10.123 -13.117 -8.538 1.00 50.25 C ATOM 237 C VAL A 450 10.668 -13.300 -9.963 1.00 75.31 C ATOM 238 O VAL A 450 11.662 -12.683 -10.347 1.00 43.44 O ATOM 239 CB VAL A 450 8.766 -12.362 -8.600 1.00 25.51 C ATOM 240 CG1 VAL A 450 8.137 -12.252 -7.211 1.00 2.34 C ATOM 241 CG2 VAL A 450 8.933 -10.980 -9.231 1.00 15.33 C ATOM 0 H VAL A 450 11.543 -11.625 -8.090 1.00 21.01 H new ATOM 0 HA VAL A 450 9.958 -14.099 -8.096 1.00 50.25 H new ATOM 0 HB VAL A 450 8.092 -12.941 -9.232 1.00 25.51 H new ATOM 0 HG11 VAL A 450 7.189 -11.720 -7.282 1.00 2.34 H new ATOM 0 HG12 VAL A 450 7.963 -13.251 -6.810 1.00 2.34 H new ATOM 0 HG13 VAL A 450 8.810 -11.707 -6.549 1.00 2.34 H new ATOM 0 HG21 VAL A 450 7.968 -10.475 -9.261 1.00 15.33 H new ATOM 0 HG22 VAL A 450 9.632 -10.391 -8.637 1.00 15.33 H new ATOM 0 HG23 VAL A 450 9.318 -11.087 -10.245 1.00 15.33 H new ATOM 251 N GLY A 451 10.027 -14.176 -10.733 1.00 34.14 N ATOM 252 CA GLY A 451 10.446 -14.425 -12.111 1.00 11.13 C ATOM 253 C GLY A 451 9.678 -13.594 -13.140 1.00 21.14 C ATOM 254 O GLY A 451 8.602 -13.065 -12.850 1.00 33.31 O ATOM 0 H GLY A 451 9.221 -14.722 -10.429 1.00 34.14 H new ATOM 0 HA2 GLY A 451 11.511 -14.210 -12.203 1.00 11.13 H new ATOM 0 HA3 GLY A 451 10.313 -15.483 -12.338 1.00 11.13 H new ATOM 258 N VAL A 452 10.225 -13.484 -14.349 1.00 11.21 N ATOM 259 CA VAL A 452 9.600 -12.689 -15.410 1.00 13.33 C ATOM 260 C VAL A 452 8.365 -13.402 -15.997 1.00 44.43 C ATOM 261 O VAL A 452 8.358 -14.622 -16.169 1.00 71.01 O ATOM 262 CB VAL A 452 10.613 -12.360 -16.542 1.00 1.11 C ATOM 263 CG1 VAL A 452 11.004 -13.612 -17.326 1.00 2.10 C ATOM 264 CG2 VAL A 452 10.063 -11.278 -17.473 1.00 1.50 C ATOM 0 H VAL A 452 11.099 -13.934 -14.621 1.00 11.21 H new ATOM 0 HA VAL A 452 9.273 -11.754 -14.956 1.00 13.33 H new ATOM 0 HB VAL A 452 11.517 -11.973 -16.071 1.00 1.11 H new ATOM 0 HG11 VAL A 452 11.713 -13.344 -18.109 1.00 2.10 H new ATOM 0 HG12 VAL A 452 11.464 -14.335 -16.652 1.00 2.10 H new ATOM 0 HG13 VAL A 452 10.114 -14.051 -17.777 1.00 2.10 H new ATOM 0 HG21 VAL A 452 10.792 -11.067 -18.256 1.00 1.50 H new ATOM 0 HG22 VAL A 452 9.134 -11.625 -17.926 1.00 1.50 H new ATOM 0 HG23 VAL A 452 9.871 -10.370 -16.902 1.00 1.50 H new ATOM 274 N ASN A 453 7.321 -12.624 -16.288 1.00 42.40 N ATOM 275 CA ASN A 453 6.042 -13.147 -16.797 1.00 30.41 C ATOM 276 C ASN A 453 5.395 -14.149 -15.818 1.00 31.44 C ATOM 277 O ASN A 453 4.481 -14.890 -16.183 1.00 32.00 O ATOM 278 CB ASN A 453 6.228 -13.788 -18.182 1.00 14.13 C ATOM 279 CG ASN A 453 6.726 -12.791 -19.214 1.00 24.25 C ATOM 280 OD1 ASN A 453 8.025 -12.734 -19.408 1.00 70.14 O flip ATOM 281 ND2 ASN A 453 5.947 -12.084 -19.847 1.00 24.20 N flip ATOM 0 H ASN A 453 7.334 -11.610 -16.179 1.00 42.40 H new ATOM 0 HA ASN A 453 5.363 -12.300 -16.891 1.00 30.41 H new ATOM 0 HB2 ASN A 453 6.936 -14.614 -18.106 1.00 14.13 H new ATOM 0 HB3 ASN A 453 5.280 -14.210 -18.515 1.00 14.13 H new ATOM 0 HD21 ASN A 453 4.944 -12.150 -19.675 1.00 24.20 H new ATOM 0 HD22 ASN A 453 6.303 -11.431 -20.545 1.00 24.20 H new ATOM 288 N LYS A 454 5.857 -14.144 -14.566 1.00 65.31 N ATOM 289 CA LYS A 454 5.310 -15.027 -13.530 1.00 74.23 C ATOM 290 C LYS A 454 4.296 -14.291 -12.646 1.00 72.01 C ATOM 291 O LYS A 454 4.307 -13.065 -12.556 1.00 0.32 O ATOM 292 CB LYS A 454 6.442 -15.594 -12.658 1.00 42.25 C ATOM 293 CG LYS A 454 7.405 -16.513 -13.407 1.00 74.24 C ATOM 294 CD LYS A 454 6.701 -17.743 -13.984 1.00 75.42 C ATOM 295 CE LYS A 454 6.003 -18.562 -12.901 1.00 22.31 C ATOM 296 NZ LYS A 454 6.951 -19.042 -11.865 1.00 71.12 N ATOM 0 H LYS A 454 6.611 -13.537 -14.243 1.00 65.31 H new ATOM 0 HA LYS A 454 4.795 -15.846 -14.033 1.00 74.23 H new ATOM 0 HB2 LYS A 454 7.006 -14.765 -12.230 1.00 42.25 H new ATOM 0 HB3 LYS A 454 6.004 -16.145 -11.826 1.00 42.25 H new ATOM 0 HG2 LYS A 454 7.881 -15.957 -14.215 1.00 74.24 H new ATOM 0 HG3 LYS A 454 8.198 -16.834 -12.731 1.00 74.24 H new ATOM 0 HD2 LYS A 454 5.969 -17.427 -14.728 1.00 75.42 H new ATOM 0 HD3 LYS A 454 7.429 -18.369 -14.500 1.00 75.42 H new ATOM 0 HE2 LYS A 454 5.229 -17.955 -12.430 1.00 22.31 H new ATOM 0 HE3 LYS A 454 5.504 -19.416 -13.358 1.00 22.31 H new ATOM 0 HZ1 LYS A 454 6.459 -19.689 -11.217 1.00 71.12 H new ATOM 0 HZ2 LYS A 454 7.740 -19.543 -12.322 1.00 71.12 H new ATOM 0 HZ3 LYS A 454 7.320 -18.231 -11.329 1.00 71.12 H new ATOM 310 N LEU A 455 3.420 -15.050 -11.996 1.00 54.04 N ATOM 311 CA LEU A 455 2.405 -14.474 -11.111 1.00 72.14 C ATOM 312 C LEU A 455 2.870 -14.494 -9.643 1.00 23.10 C ATOM 313 O LEU A 455 3.343 -15.517 -9.147 1.00 23.13 O ATOM 314 CB LEU A 455 1.091 -15.253 -11.256 1.00 71.01 C ATOM 315 CG LEU A 455 -0.139 -14.610 -10.592 1.00 11.13 C ATOM 316 CD1 LEU A 455 -0.463 -13.273 -11.253 1.00 3.32 C ATOM 317 CD2 LEU A 455 -1.340 -15.553 -10.649 1.00 42.14 C ATOM 0 H LEU A 455 3.390 -16.067 -12.063 1.00 54.04 H new ATOM 0 HA LEU A 455 2.247 -13.435 -11.400 1.00 72.14 H new ATOM 0 HB2 LEU A 455 0.882 -15.383 -12.318 1.00 71.01 H new ATOM 0 HB3 LEU A 455 1.231 -16.248 -10.834 1.00 71.01 H new ATOM 0 HG LEU A 455 0.092 -14.425 -9.543 1.00 11.13 H new ATOM 0 HD11 LEU A 455 -1.336 -12.831 -10.772 1.00 3.32 H new ATOM 0 HD12 LEU A 455 0.388 -12.600 -11.149 1.00 3.32 H new ATOM 0 HD13 LEU A 455 -0.673 -13.432 -12.311 1.00 3.32 H new ATOM 0 HD21 LEU A 455 -2.198 -15.078 -10.174 1.00 42.14 H new ATOM 0 HD22 LEU A 455 -1.578 -15.776 -11.689 1.00 42.14 H new ATOM 0 HD23 LEU A 455 -1.101 -16.478 -10.125 1.00 42.14 H new ATOM 329 N ALA A 456 2.750 -13.358 -8.959 1.00 32.11 N ATOM 330 CA ALA A 456 3.110 -13.267 -7.536 1.00 11.25 C ATOM 331 C ALA A 456 2.038 -12.510 -6.735 1.00 63.24 C ATOM 332 O ALA A 456 1.562 -11.460 -7.165 1.00 13.32 O ATOM 333 CB ALA A 456 4.466 -12.583 -7.386 1.00 22.24 C ATOM 0 H ALA A 456 2.407 -12.486 -9.362 1.00 32.11 H new ATOM 0 HA ALA A 456 3.172 -14.279 -7.135 1.00 11.25 H new ATOM 0 HB1 ALA A 456 4.726 -12.519 -6.329 1.00 22.24 H new ATOM 0 HB2 ALA A 456 5.225 -13.161 -7.912 1.00 22.24 H new ATOM 0 HB3 ALA A 456 4.416 -11.580 -7.809 1.00 22.24 H new ATOM 339 N GLU A 457 1.653 -13.044 -5.576 1.00 14.44 N ATOM 340 CA GLU A 457 0.653 -12.391 -4.717 1.00 62.21 C ATOM 341 C GLU A 457 1.306 -11.630 -3.553 1.00 61.24 C ATOM 342 O GLU A 457 2.187 -12.148 -2.861 1.00 62.33 O ATOM 343 CB GLU A 457 -0.353 -13.421 -4.173 1.00 22.14 C ATOM 344 CG GLU A 457 -1.396 -13.862 -5.195 1.00 12.25 C ATOM 345 CD GLU A 457 -2.306 -14.964 -4.673 1.00 21.43 C ATOM 346 OE1 GLU A 457 -1.924 -16.151 -4.758 1.00 12.22 O ATOM 347 OE2 GLU A 457 -3.409 -14.649 -4.173 1.00 62.03 O ATOM 0 H GLU A 457 2.014 -13.924 -5.207 1.00 14.44 H new ATOM 0 HA GLU A 457 0.124 -11.666 -5.336 1.00 62.21 H new ATOM 0 HB2 GLU A 457 0.192 -14.297 -3.823 1.00 22.14 H new ATOM 0 HB3 GLU A 457 -0.862 -12.996 -3.308 1.00 22.14 H new ATOM 0 HG2 GLU A 457 -2.002 -13.003 -5.482 1.00 12.25 H new ATOM 0 HG3 GLU A 457 -0.890 -14.211 -6.095 1.00 12.25 H new ATOM 354 N TYR A 458 0.857 -10.396 -3.346 1.00 2.31 N ATOM 355 CA TYR A 458 1.345 -9.548 -2.252 1.00 63.31 C ATOM 356 C TYR A 458 0.183 -9.104 -1.352 1.00 3.33 C ATOM 357 O TYR A 458 -0.984 -9.190 -1.740 1.00 44.20 O ATOM 358 CB TYR A 458 2.054 -8.307 -2.812 1.00 22.53 C ATOM 359 CG TYR A 458 3.331 -8.599 -3.583 1.00 2.32 C ATOM 360 CD1 TYR A 458 3.292 -9.028 -4.908 1.00 50.33 C ATOM 361 CD2 TYR A 458 4.575 -8.433 -2.987 1.00 32.21 C ATOM 362 CE1 TYR A 458 4.457 -9.285 -5.607 1.00 64.44 C ATOM 363 CE2 TYR A 458 5.741 -8.687 -3.682 1.00 13.34 C ATOM 364 CZ TYR A 458 5.679 -9.112 -4.990 1.00 10.01 C ATOM 365 OH TYR A 458 6.842 -9.363 -5.683 1.00 55.05 O ATOM 0 H TYR A 458 0.146 -9.952 -3.928 1.00 2.31 H new ATOM 0 HA TYR A 458 2.051 -10.133 -1.662 1.00 63.31 H new ATOM 0 HB2 TYR A 458 1.364 -7.776 -3.467 1.00 22.53 H new ATOM 0 HB3 TYR A 458 2.290 -7.636 -1.986 1.00 22.53 H new ATOM 0 HD1 TYR A 458 2.338 -9.162 -5.396 1.00 50.33 H new ATOM 0 HD2 TYR A 458 4.631 -8.099 -1.961 1.00 32.21 H new ATOM 0 HE1 TYR A 458 4.411 -9.620 -6.633 1.00 64.44 H new ATOM 0 HE2 TYR A 458 6.699 -8.553 -3.201 1.00 13.34 H new ATOM 0 HH TYR A 458 7.518 -9.720 -5.070 1.00 55.05 H new ATOM 375 N GLU A 459 0.510 -8.617 -0.159 1.00 43.13 N ATOM 376 CA GLU A 459 -0.503 -8.159 0.795 1.00 31.42 C ATOM 377 C GLU A 459 -0.307 -6.689 1.177 1.00 63.00 C ATOM 378 O GLU A 459 0.781 -6.277 1.591 1.00 75.51 O ATOM 379 CB GLU A 459 -0.470 -9.013 2.069 1.00 3.23 C ATOM 380 CG GLU A 459 -0.988 -10.434 1.887 1.00 52.13 C ATOM 381 CD GLU A 459 -0.933 -11.250 3.170 1.00 4.44 C ATOM 382 OE1 GLU A 459 -1.214 -10.688 4.255 1.00 22.31 O ATOM 383 OE2 GLU A 459 -0.597 -12.452 3.101 1.00 44.32 O ATOM 0 H GLU A 459 1.470 -8.528 0.174 1.00 43.13 H new ATOM 0 HA GLU A 459 -1.470 -8.263 0.302 1.00 31.42 H new ATOM 0 HB2 GLU A 459 0.555 -9.057 2.436 1.00 3.23 H new ATOM 0 HB3 GLU A 459 -1.063 -8.519 2.839 1.00 3.23 H new ATOM 0 HG2 GLU A 459 -2.017 -10.398 1.529 1.00 52.13 H new ATOM 0 HG3 GLU A 459 -0.400 -10.935 1.118 1.00 52.13 H new ATOM 390 N VAL A 460 -1.372 -5.904 1.045 1.00 40.34 N ATOM 391 CA VAL A 460 -1.383 -4.524 1.522 1.00 54.43 C ATOM 392 C VAL A 460 -2.105 -4.440 2.877 1.00 3.01 C ATOM 393 O VAL A 460 -3.306 -4.692 2.973 1.00 74.12 O ATOM 394 CB VAL A 460 -2.081 -3.575 0.513 1.00 51.43 C ATOM 395 CG1 VAL A 460 -2.034 -2.128 1.004 1.00 42.32 C ATOM 396 CG2 VAL A 460 -1.449 -3.701 -0.872 1.00 5.11 C ATOM 0 H VAL A 460 -2.244 -6.202 0.609 1.00 40.34 H new ATOM 0 HA VAL A 460 -0.346 -4.207 1.631 1.00 54.43 H new ATOM 0 HB VAL A 460 -3.128 -3.870 0.437 1.00 51.43 H new ATOM 0 HG11 VAL A 460 -2.530 -1.482 0.280 1.00 42.32 H new ATOM 0 HG12 VAL A 460 -2.543 -2.053 1.965 1.00 42.32 H new ATOM 0 HG13 VAL A 460 -0.996 -1.816 1.118 1.00 42.32 H new ATOM 0 HG21 VAL A 460 -1.953 -3.027 -1.565 1.00 5.11 H new ATOM 0 HG22 VAL A 460 -0.392 -3.439 -0.815 1.00 5.11 H new ATOM 0 HG23 VAL A 460 -1.550 -4.727 -1.226 1.00 5.11 H new ATOM 406 N HIS A 461 -1.359 -4.105 3.922 1.00 45.44 N ATOM 407 CA HIS A 461 -1.924 -3.953 5.264 1.00 22.53 C ATOM 408 C HIS A 461 -2.172 -2.475 5.583 1.00 3.01 C ATOM 409 O HIS A 461 -1.231 -1.696 5.739 1.00 74.13 O ATOM 410 CB HIS A 461 -0.985 -4.578 6.307 1.00 53.02 C ATOM 411 CG HIS A 461 -0.970 -6.079 6.291 1.00 53.13 C ATOM 412 ND1 HIS A 461 -1.481 -6.845 7.317 1.00 4.32 N ATOM 413 CD2 HIS A 461 -0.499 -6.959 5.369 1.00 23.23 C ATOM 414 CE1 HIS A 461 -1.328 -8.124 7.033 1.00 12.42 C ATOM 415 NE2 HIS A 461 -0.735 -8.223 5.858 1.00 1.44 N ATOM 0 H HIS A 461 -0.355 -3.932 3.869 1.00 45.44 H new ATOM 0 HA HIS A 461 -2.881 -4.473 5.298 1.00 22.53 H new ATOM 0 HB2 HIS A 461 0.027 -4.213 6.135 1.00 53.02 H new ATOM 0 HB3 HIS A 461 -1.282 -4.238 7.299 1.00 53.02 H new ATOM 0 HD1 HIS A 461 -1.912 -6.479 8.166 1.00 4.32 H new ATOM 0 HD2 HIS A 461 -0.028 -6.712 4.429 1.00 23.23 H new ATOM 0 HE1 HIS A 461 -1.636 -8.950 7.656 1.00 12.42 H new ATOM 0 HE2 HIS A 461 -0.491 -9.095 5.389 1.00 1.44 H new ATOM 424 N VAL A 462 -3.445 -2.092 5.657 1.00 23.03 N ATOM 425 CA VAL A 462 -3.825 -0.712 5.955 1.00 63.51 C ATOM 426 C VAL A 462 -4.466 -0.619 7.347 1.00 35.15 C ATOM 427 O VAL A 462 -5.456 -1.291 7.637 1.00 3.02 O ATOM 428 CB VAL A 462 -4.791 -0.148 4.875 1.00 23.54 C ATOM 429 CG1 VAL A 462 -4.130 -0.194 3.502 1.00 21.21 C ATOM 430 CG2 VAL A 462 -6.119 -0.907 4.854 1.00 5.13 C ATOM 0 H VAL A 462 -4.235 -2.721 5.514 1.00 23.03 H new ATOM 0 HA VAL A 462 -2.919 -0.106 5.945 1.00 63.51 H new ATOM 0 HB VAL A 462 -5.009 0.889 5.131 1.00 23.54 H new ATOM 0 HG11 VAL A 462 -4.816 0.204 2.754 1.00 21.21 H new ATOM 0 HG12 VAL A 462 -3.221 0.407 3.516 1.00 21.21 H new ATOM 0 HG13 VAL A 462 -3.880 -1.225 3.253 1.00 21.21 H new ATOM 0 HG21 VAL A 462 -6.768 -0.484 4.087 1.00 5.13 H new ATOM 0 HG22 VAL A 462 -5.934 -1.958 4.634 1.00 5.13 H new ATOM 0 HG23 VAL A 462 -6.603 -0.820 5.827 1.00 5.13 H new ATOM 440 N LYS A 463 -3.894 0.214 8.209 1.00 23.42 N ATOM 441 CA LYS A 463 -4.321 0.278 9.611 1.00 32.30 C ATOM 442 C LYS A 463 -4.470 1.718 10.122 1.00 34.44 C ATOM 443 O LYS A 463 -3.799 2.639 9.654 1.00 32.54 O ATOM 444 CB LYS A 463 -3.328 -0.485 10.496 1.00 21.33 C ATOM 445 CG LYS A 463 -1.868 -0.187 10.171 1.00 34.43 C ATOM 446 CD LYS A 463 -0.956 -0.409 11.374 1.00 41.14 C ATOM 447 CE LYS A 463 -0.925 -1.867 11.820 1.00 53.14 C ATOM 448 NZ LYS A 463 -0.389 -2.768 10.766 1.00 31.45 N ATOM 0 H LYS A 463 -3.137 0.853 7.968 1.00 23.42 H new ATOM 0 HA LYS A 463 -5.306 -0.186 9.664 1.00 32.30 H new ATOM 0 HB2 LYS A 463 -3.518 -0.235 11.540 1.00 21.33 H new ATOM 0 HB3 LYS A 463 -3.505 -1.555 10.387 1.00 21.33 H new ATOM 0 HG2 LYS A 463 -1.543 -0.823 9.348 1.00 34.43 H new ATOM 0 HG3 LYS A 463 -1.776 0.845 9.832 1.00 34.43 H new ATOM 0 HD2 LYS A 463 0.055 -0.087 11.124 1.00 41.14 H new ATOM 0 HD3 LYS A 463 -1.294 0.214 12.202 1.00 41.14 H new ATOM 0 HE2 LYS A 463 -0.313 -1.957 12.718 1.00 53.14 H new ATOM 0 HE3 LYS A 463 -1.933 -2.184 12.088 1.00 53.14 H new ATOM 0 HZ1 LYS A 463 0.038 -3.606 11.210 1.00 31.45 H new ATOM 0 HZ2 LYS A 463 -1.162 -3.065 10.137 1.00 31.45 H new ATOM 0 HZ3 LYS A 463 0.333 -2.264 10.213 1.00 31.45 H new ATOM 462 N ASN A 464 -5.368 1.888 11.092 1.00 52.04 N ATOM 463 CA ASN A 464 -5.576 3.170 11.768 1.00 43.23 C ATOM 464 C ASN A 464 -4.980 3.114 13.182 1.00 30.13 C ATOM 465 O ASN A 464 -5.279 2.206 13.955 1.00 72.11 O ATOM 466 CB ASN A 464 -7.083 3.465 11.838 1.00 31.30 C ATOM 467 CG ASN A 464 -7.419 4.851 12.370 1.00 65.12 C ATOM 468 OD1 ASN A 464 -6.694 5.431 13.177 1.00 12.24 O ATOM 469 ND2 ASN A 464 -8.540 5.385 11.933 1.00 64.04 N ATOM 0 H ASN A 464 -5.973 1.140 11.432 1.00 52.04 H new ATOM 0 HA ASN A 464 -5.079 3.965 11.211 1.00 43.23 H new ATOM 0 HB2 ASN A 464 -7.511 3.356 10.841 1.00 31.30 H new ATOM 0 HB3 ASN A 464 -7.560 2.718 12.473 1.00 31.30 H new ATOM 0 HD21 ASN A 464 -8.829 6.306 12.264 1.00 64.04 H new ATOM 0 HD22 ASN A 464 -9.119 4.878 11.264 1.00 64.04 H new ATOM 476 N LEU A 465 -4.149 4.092 13.520 1.00 11.41 N ATOM 477 CA LEU A 465 -3.486 4.142 14.830 1.00 13.33 C ATOM 478 C LEU A 465 -4.074 5.242 15.729 1.00 63.41 C ATOM 479 O LEU A 465 -3.997 5.159 16.953 1.00 15.41 O ATOM 480 CB LEU A 465 -1.983 4.377 14.632 1.00 32.44 C ATOM 481 CG LEU A 465 -1.269 3.340 13.747 1.00 32.01 C ATOM 482 CD1 LEU A 465 0.186 3.735 13.514 1.00 40.32 C ATOM 483 CD2 LEU A 465 -1.359 1.948 14.369 1.00 44.45 C ATOM 0 H LEU A 465 -3.913 4.870 12.904 1.00 11.41 H new ATOM 0 HA LEU A 465 -3.653 3.187 15.329 1.00 13.33 H new ATOM 0 HB2 LEU A 465 -1.841 5.365 14.194 1.00 32.44 H new ATOM 0 HB3 LEU A 465 -1.502 4.390 15.610 1.00 32.44 H new ATOM 0 HG LEU A 465 -1.771 3.315 12.780 1.00 32.01 H new ATOM 0 HD11 LEU A 465 0.670 2.987 12.886 1.00 40.32 H new ATOM 0 HD12 LEU A 465 0.225 4.705 13.018 1.00 40.32 H new ATOM 0 HD13 LEU A 465 0.704 3.796 14.471 1.00 40.32 H new ATOM 0 HD21 LEU A 465 -0.848 1.229 13.728 1.00 44.45 H new ATOM 0 HD22 LEU A 465 -0.887 1.957 15.352 1.00 44.45 H new ATOM 0 HD23 LEU A 465 -2.406 1.662 14.472 1.00 44.45 H new ATOM 495 N GLY A 466 -4.689 6.252 15.114 1.00 41.31 N ATOM 496 CA GLY A 466 -5.161 7.427 15.850 1.00 44.44 C ATOM 497 C GLY A 466 -6.194 7.125 16.937 1.00 32.02 C ATOM 498 O GLY A 466 -6.313 7.873 17.907 1.00 1.13 O ATOM 0 H GLY A 466 -4.872 6.281 14.111 1.00 41.31 H new ATOM 0 HA2 GLY A 466 -4.304 7.921 16.309 1.00 44.44 H new ATOM 0 HA3 GLY A 466 -5.594 8.133 15.142 1.00 44.44 H new ATOM 502 N GLY A 467 -6.941 6.030 16.783 1.00 5.51 N ATOM 503 CA GLY A 467 -7.984 5.688 17.757 1.00 44.21 C ATOM 504 C GLY A 467 -9.334 6.338 17.450 1.00 74.41 C ATOM 505 O GLY A 467 -10.209 6.417 18.311 1.00 44.13 O ATOM 0 H GLY A 467 -6.848 5.374 16.008 1.00 5.51 H new ATOM 0 HA2 GLY A 467 -8.107 4.605 17.782 1.00 44.21 H new ATOM 0 HA3 GLY A 467 -7.658 5.995 18.751 1.00 44.21 H new ATOM 509 N ILE A 468 -9.495 6.799 16.215 1.00 64.22 N ATOM 510 CA ILE A 468 -10.747 7.414 15.752 1.00 44.53 C ATOM 511 C ILE A 468 -11.106 6.927 14.333 1.00 52.45 C ATOM 512 O ILE A 468 -10.225 6.763 13.486 1.00 22.03 O ATOM 513 CB ILE A 468 -10.648 8.966 15.788 1.00 22.43 C ATOM 514 CG1 ILE A 468 -11.826 9.624 15.044 1.00 70.42 C ATOM 515 CG2 ILE A 468 -9.315 9.433 15.212 1.00 72.35 C ATOM 516 CD1 ILE A 468 -11.850 11.135 15.153 1.00 22.11 C ATOM 0 H ILE A 468 -8.766 6.760 15.502 1.00 64.22 H new ATOM 0 HA ILE A 468 -11.543 7.107 16.430 1.00 44.53 H new ATOM 0 HB ILE A 468 -10.702 9.278 16.831 1.00 22.43 H new ATOM 0 HG12 ILE A 468 -11.780 9.346 13.991 1.00 70.42 H new ATOM 0 HG13 ILE A 468 -12.761 9.226 15.438 1.00 70.42 H new ATOM 0 HG21 ILE A 468 -9.265 10.521 15.246 1.00 72.35 H new ATOM 0 HG22 ILE A 468 -8.498 9.014 15.799 1.00 72.35 H new ATOM 0 HG23 ILE A 468 -9.228 9.098 14.178 1.00 72.35 H new ATOM 0 HD11 ILE A 468 -12.707 11.526 14.604 1.00 22.11 H new ATOM 0 HD12 ILE A 468 -11.928 11.423 16.201 1.00 22.11 H new ATOM 0 HD13 ILE A 468 -10.932 11.545 14.732 1.00 22.11 H new ATOM 528 N GLY A 469 -12.397 6.692 14.088 1.00 23.23 N ATOM 529 CA GLY A 469 -12.852 6.148 12.808 1.00 42.00 C ATOM 530 C GLY A 469 -12.671 7.098 11.623 1.00 1.32 C ATOM 531 O GLY A 469 -12.976 8.289 11.714 1.00 44.31 O ATOM 0 H GLY A 469 -13.145 6.870 14.759 1.00 23.23 H new ATOM 0 HA2 GLY A 469 -12.310 5.225 12.605 1.00 42.00 H new ATOM 0 HA3 GLY A 469 -13.907 5.886 12.892 1.00 42.00 H new ATOM 535 N VAL A 470 -12.188 6.558 10.501 1.00 70.11 N ATOM 536 CA VAL A 470 -11.970 7.343 9.280 1.00 24.04 C ATOM 537 C VAL A 470 -12.658 6.690 8.062 1.00 30.31 C ATOM 538 O VAL A 470 -12.283 5.594 7.637 1.00 11.42 O ATOM 539 CB VAL A 470 -10.455 7.494 8.976 1.00 72.14 C ATOM 540 CG1 VAL A 470 -10.224 8.379 7.752 1.00 35.23 C ATOM 541 CG2 VAL A 470 -9.708 8.044 10.188 1.00 50.51 C ATOM 0 H VAL A 470 -11.938 5.573 10.412 1.00 70.11 H new ATOM 0 HA VAL A 470 -12.406 8.327 9.455 1.00 24.04 H new ATOM 0 HB VAL A 470 -10.060 6.503 8.754 1.00 72.14 H new ATOM 0 HG11 VAL A 470 -9.154 8.467 7.563 1.00 35.23 H new ATOM 0 HG12 VAL A 470 -10.710 7.934 6.884 1.00 35.23 H new ATOM 0 HG13 VAL A 470 -10.643 9.369 7.934 1.00 35.23 H new ATOM 0 HG21 VAL A 470 -8.649 8.140 9.950 1.00 50.51 H new ATOM 0 HG22 VAL A 470 -10.111 9.022 10.451 1.00 50.51 H new ATOM 0 HG23 VAL A 470 -9.830 7.363 11.030 1.00 50.51 H new ATOM 551 N PRO A 471 -13.687 7.352 7.491 1.00 15.35 N ATOM 552 CA PRO A 471 -14.372 6.885 6.275 1.00 72.12 C ATOM 553 C PRO A 471 -13.714 7.395 4.976 1.00 44.32 C ATOM 554 O PRO A 471 -14.062 6.966 3.876 1.00 2.24 O ATOM 555 CB PRO A 471 -15.770 7.482 6.445 1.00 74.20 C ATOM 556 CG PRO A 471 -15.537 8.783 7.149 1.00 51.21 C ATOM 557 CD PRO A 471 -14.301 8.596 8.011 1.00 22.21 C ATOM 0 HA PRO A 471 -14.349 5.800 6.175 1.00 72.12 H new ATOM 0 HB2 PRO A 471 -16.257 7.633 5.482 1.00 74.20 H new ATOM 0 HB3 PRO A 471 -16.415 6.824 7.028 1.00 74.20 H new ATOM 0 HG2 PRO A 471 -15.390 9.591 6.432 1.00 51.21 H new ATOM 0 HG3 PRO A 471 -16.398 9.052 7.760 1.00 51.21 H new ATOM 0 HD2 PRO A 471 -13.621 9.444 7.923 1.00 22.21 H new ATOM 0 HD3 PRO A 471 -14.560 8.503 9.066 1.00 22.21 H new ATOM 565 N SER A 472 -12.774 8.323 5.123 1.00 3.22 N ATOM 566 CA SER A 472 -12.145 9.031 3.991 1.00 21.30 C ATOM 567 C SER A 472 -10.917 8.299 3.414 1.00 23.52 C ATOM 568 O SER A 472 -10.192 8.858 2.590 1.00 1.05 O ATOM 569 CB SER A 472 -11.740 10.446 4.422 1.00 34.10 C ATOM 570 OG SER A 472 -10.729 10.416 5.419 1.00 43.53 O ATOM 0 H SER A 472 -12.418 8.614 6.034 1.00 3.22 H new ATOM 0 HA SER A 472 -12.892 9.069 3.198 1.00 21.30 H new ATOM 0 HB2 SER A 472 -11.382 11.003 3.556 1.00 34.10 H new ATOM 0 HB3 SER A 472 -12.613 10.975 4.803 1.00 34.10 H new ATOM 0 HG SER A 472 -10.016 11.045 5.181 1.00 43.53 H new ATOM 576 N THR A 473 -10.702 7.044 3.801 1.00 44.31 N ATOM 577 CA THR A 473 -9.406 6.379 3.580 1.00 12.14 C ATOM 578 C THR A 473 -9.316 5.687 2.207 1.00 41.31 C ATOM 579 O THR A 473 -9.954 4.661 1.957 1.00 11.43 O ATOM 580 CB THR A 473 -9.151 5.313 4.679 1.00 43.43 C ATOM 581 OG1 THR A 473 -9.225 5.912 5.979 1.00 63.21 O ATOM 582 CG2 THR A 473 -7.789 4.643 4.510 1.00 41.14 C ATOM 0 H THR A 473 -11.400 6.464 4.267 1.00 44.31 H new ATOM 0 HA THR A 473 -8.652 7.165 3.618 1.00 12.14 H new ATOM 0 HB THR A 473 -9.924 4.551 4.578 1.00 43.43 H new ATOM 0 HG1 THR A 473 -9.064 5.229 6.663 1.00 63.21 H new ATOM 0 HG21 THR A 473 -7.647 3.903 5.298 1.00 41.14 H new ATOM 0 HG22 THR A 473 -7.743 4.151 3.538 1.00 41.14 H new ATOM 0 HG23 THR A 473 -7.003 5.396 4.573 1.00 41.14 H new ATOM 590 N LYS A 474 -8.509 6.276 1.319 1.00 3.44 N ATOM 591 CA LYS A 474 -8.247 5.722 -0.021 1.00 25.30 C ATOM 592 C LYS A 474 -6.784 5.244 -0.151 1.00 4.51 C ATOM 593 O LYS A 474 -5.853 5.977 0.182 1.00 5.15 O ATOM 594 CB LYS A 474 -8.533 6.787 -1.092 1.00 43.44 C ATOM 595 CG LYS A 474 -9.949 7.362 -1.040 1.00 62.12 C ATOM 596 CD LYS A 474 -10.149 8.459 -2.083 1.00 4.51 C ATOM 597 CE LYS A 474 -11.542 9.072 -2.007 1.00 54.14 C ATOM 598 NZ LYS A 474 -11.727 10.142 -3.021 1.00 34.41 N ATOM 0 H LYS A 474 -8.017 7.150 1.505 1.00 3.44 H new ATOM 0 HA LYS A 474 -8.905 4.865 -0.166 1.00 25.30 H new ATOM 0 HB2 LYS A 474 -7.818 7.602 -0.979 1.00 43.44 H new ATOM 0 HB3 LYS A 474 -8.366 6.350 -2.077 1.00 43.44 H new ATOM 0 HG2 LYS A 474 -10.673 6.564 -1.207 1.00 62.12 H new ATOM 0 HG3 LYS A 474 -10.142 7.765 -0.046 1.00 62.12 H new ATOM 0 HD2 LYS A 474 -9.401 9.239 -1.937 1.00 4.51 H new ATOM 0 HD3 LYS A 474 -9.989 8.046 -3.079 1.00 4.51 H new ATOM 0 HE2 LYS A 474 -12.291 8.294 -2.158 1.00 54.14 H new ATOM 0 HE3 LYS A 474 -11.705 9.483 -1.011 1.00 54.14 H new ATOM 0 HZ1 LYS A 474 -12.686 10.536 -2.939 1.00 34.41 H new ATOM 0 HZ2 LYS A 474 -11.029 10.896 -2.862 1.00 34.41 H new ATOM 0 HZ3 LYS A 474 -11.596 9.744 -3.973 1.00 34.41 H new ATOM 612 N VAL A 475 -6.590 4.022 -0.648 1.00 30.23 N ATOM 613 CA VAL A 475 -5.249 3.428 -0.785 1.00 43.52 C ATOM 614 C VAL A 475 -4.842 3.285 -2.262 1.00 50.40 C ATOM 615 O VAL A 475 -5.647 2.880 -3.098 1.00 53.43 O ATOM 616 CB VAL A 475 -5.195 2.039 -0.105 1.00 71.20 C ATOM 617 CG1 VAL A 475 -3.779 1.463 -0.145 1.00 74.50 C ATOM 618 CG2 VAL A 475 -5.714 2.122 1.330 1.00 52.42 C ATOM 0 H VAL A 475 -7.347 3.416 -0.966 1.00 30.23 H new ATOM 0 HA VAL A 475 -4.547 4.102 -0.294 1.00 43.52 H new ATOM 0 HB VAL A 475 -5.844 1.363 -0.662 1.00 71.20 H new ATOM 0 HG11 VAL A 475 -3.770 0.487 0.340 1.00 74.50 H new ATOM 0 HG12 VAL A 475 -3.459 1.357 -1.181 1.00 74.50 H new ATOM 0 HG13 VAL A 475 -3.098 2.134 0.378 1.00 74.50 H new ATOM 0 HG21 VAL A 475 -5.668 1.135 1.791 1.00 52.42 H new ATOM 0 HG22 VAL A 475 -5.098 2.818 1.900 1.00 52.42 H new ATOM 0 HG23 VAL A 475 -6.746 2.472 1.324 1.00 52.42 H new ATOM 628 N ARG A 476 -3.591 3.620 -2.576 1.00 52.51 N ATOM 629 CA ARG A 476 -3.064 3.512 -3.947 1.00 24.13 C ATOM 630 C ARG A 476 -1.704 2.795 -3.973 1.00 3.11 C ATOM 631 O ARG A 476 -0.881 2.975 -3.076 1.00 14.43 O ATOM 632 CB ARG A 476 -2.918 4.909 -4.570 1.00 24.44 C ATOM 633 CG ARG A 476 -4.239 5.645 -4.762 1.00 44.34 C ATOM 634 CD ARG A 476 -4.021 7.053 -5.308 1.00 11.22 C ATOM 635 NE ARG A 476 -5.283 7.752 -5.542 1.00 43.22 N ATOM 636 CZ ARG A 476 -5.495 9.006 -5.251 1.00 10.31 C ATOM 637 NH1 ARG A 476 -4.571 9.722 -4.692 1.00 31.31 N ATOM 638 NH2 ARG A 476 -6.639 9.541 -5.525 1.00 62.52 N ATOM 0 H ARG A 476 -2.915 3.972 -1.898 1.00 52.51 H new ATOM 0 HA ARG A 476 -3.774 2.923 -4.528 1.00 24.13 H new ATOM 0 HB2 ARG A 476 -2.267 5.512 -3.936 1.00 24.44 H new ATOM 0 HB3 ARG A 476 -2.423 4.814 -5.537 1.00 24.44 H new ATOM 0 HG2 ARG A 476 -4.874 5.083 -5.447 1.00 44.34 H new ATOM 0 HG3 ARG A 476 -4.767 5.701 -3.810 1.00 44.34 H new ATOM 0 HD2 ARG A 476 -3.415 7.625 -4.605 1.00 11.22 H new ATOM 0 HD3 ARG A 476 -3.459 6.997 -6.241 1.00 11.22 H new ATOM 0 HE ARG A 476 -6.049 7.224 -5.961 1.00 43.22 H new ATOM 0 HH11 ARG A 476 -3.665 9.306 -4.474 1.00 31.31 H new ATOM 0 HH12 ARG A 476 -4.749 10.701 -4.470 1.00 31.31 H new ATOM 0 HH21 ARG A 476 -7.370 8.983 -5.966 1.00 62.52 H new ATOM 0 HH22 ARG A 476 -6.811 10.521 -5.300 1.00 62.52 H new ATOM 652 N VAL A 477 -1.472 1.986 -5.009 1.00 30.24 N ATOM 653 CA VAL A 477 -0.195 1.275 -5.174 1.00 72.45 C ATOM 654 C VAL A 477 0.485 1.650 -6.501 1.00 4.52 C ATOM 655 O VAL A 477 -0.098 1.497 -7.575 1.00 62.22 O ATOM 656 CB VAL A 477 -0.394 -0.263 -5.128 1.00 73.22 C ATOM 657 CG1 VAL A 477 0.923 -1.000 -5.381 1.00 42.11 C ATOM 658 CG2 VAL A 477 -1.000 -0.691 -3.792 1.00 14.10 C ATOM 0 H VAL A 477 -2.150 1.805 -5.749 1.00 30.24 H new ATOM 0 HA VAL A 477 0.443 1.579 -4.344 1.00 72.45 H new ATOM 0 HB VAL A 477 -1.088 -0.532 -5.924 1.00 73.22 H new ATOM 0 HG11 VAL A 477 0.751 -2.076 -5.342 1.00 42.11 H new ATOM 0 HG12 VAL A 477 1.309 -0.729 -6.364 1.00 42.11 H new ATOM 0 HG13 VAL A 477 1.649 -0.721 -4.617 1.00 42.11 H new ATOM 0 HG21 VAL A 477 -1.131 -1.773 -3.782 1.00 14.10 H new ATOM 0 HG22 VAL A 477 -0.334 -0.398 -2.980 1.00 14.10 H new ATOM 0 HG23 VAL A 477 -1.968 -0.207 -3.660 1.00 14.10 H new ATOM 668 N TYR A 478 1.717 2.149 -6.412 1.00 44.14 N ATOM 669 CA TYR A 478 2.507 2.534 -7.587 1.00 13.33 C ATOM 670 C TYR A 478 3.730 1.615 -7.749 1.00 53.31 C ATOM 671 O TYR A 478 4.377 1.260 -6.772 1.00 2.55 O ATOM 672 CB TYR A 478 2.986 3.989 -7.453 1.00 24.33 C ATOM 673 CG TYR A 478 1.868 5.004 -7.302 1.00 32.20 C ATOM 674 CD1 TYR A 478 1.256 5.215 -6.069 1.00 53.03 C ATOM 675 CD2 TYR A 478 1.429 5.755 -8.388 1.00 33.05 C ATOM 676 CE1 TYR A 478 0.241 6.139 -5.925 1.00 2.12 C ATOM 677 CE2 TYR A 478 0.414 6.683 -8.249 1.00 22.34 C ATOM 678 CZ TYR A 478 -0.175 6.868 -7.018 1.00 32.14 C ATOM 679 OH TYR A 478 -1.189 7.787 -6.877 1.00 45.42 O ATOM 0 H TYR A 478 2.198 2.299 -5.525 1.00 44.14 H new ATOM 0 HA TYR A 478 1.869 2.437 -8.466 1.00 13.33 H new ATOM 0 HB2 TYR A 478 3.647 4.063 -6.590 1.00 24.33 H new ATOM 0 HB3 TYR A 478 3.578 4.246 -8.331 1.00 24.33 H new ATOM 0 HD1 TYR A 478 1.581 4.646 -5.211 1.00 53.03 H new ATOM 0 HD2 TYR A 478 1.888 5.611 -9.355 1.00 33.05 H new ATOM 0 HE1 TYR A 478 -0.224 6.290 -4.962 1.00 2.12 H new ATOM 0 HE2 TYR A 478 0.085 7.260 -9.101 1.00 22.34 H new ATOM 0 HH TYR A 478 -1.188 8.137 -5.962 1.00 45.42 H new ATOM 689 N ILE A 479 4.039 1.230 -8.984 1.00 12.40 N ATOM 690 CA ILE A 479 5.227 0.420 -9.269 1.00 44.13 C ATOM 691 C ILE A 479 6.168 1.172 -10.223 1.00 74.12 C ATOM 692 O ILE A 479 5.841 1.382 -11.394 1.00 22.42 O ATOM 693 CB ILE A 479 4.844 -0.949 -9.886 1.00 13.35 C ATOM 694 CG1 ILE A 479 3.867 -1.700 -8.961 1.00 72.40 C ATOM 695 CG2 ILE A 479 6.097 -1.789 -10.146 1.00 22.20 C ATOM 696 CD1 ILE A 479 3.416 -3.044 -9.495 1.00 25.24 C ATOM 0 H ILE A 479 3.484 1.465 -9.807 1.00 12.40 H new ATOM 0 HA ILE A 479 5.738 0.238 -8.323 1.00 44.13 H new ATOM 0 HB ILE A 479 4.347 -0.773 -10.840 1.00 13.35 H new ATOM 0 HG12 ILE A 479 4.343 -1.848 -7.992 1.00 72.40 H new ATOM 0 HG13 ILE A 479 2.990 -1.075 -8.793 1.00 72.40 H new ATOM 0 HG21 ILE A 479 5.809 -2.747 -10.579 1.00 22.20 H new ATOM 0 HG22 ILE A 479 6.753 -1.260 -10.838 1.00 22.20 H new ATOM 0 HG23 ILE A 479 6.623 -1.959 -9.206 1.00 22.20 H new ATOM 0 HD11 ILE A 479 2.731 -3.507 -8.784 1.00 25.24 H new ATOM 0 HD12 ILE A 479 2.909 -2.905 -10.450 1.00 25.24 H new ATOM 0 HD13 ILE A 479 4.283 -3.689 -9.635 1.00 25.24 H new ATOM 708 N ASN A 480 7.327 1.586 -9.706 1.00 32.30 N ATOM 709 CA ASN A 480 8.293 2.395 -10.469 1.00 12.10 C ATOM 710 C ASN A 480 7.647 3.677 -11.034 1.00 60.11 C ATOM 711 O ASN A 480 8.024 4.157 -12.107 1.00 2.34 O ATOM 712 CB ASN A 480 8.920 1.572 -11.608 1.00 25.14 C ATOM 713 CG ASN A 480 9.841 0.475 -11.103 1.00 22.35 C ATOM 714 OD1 ASN A 480 10.417 0.576 -10.025 1.00 62.55 O ATOM 715 ND2 ASN A 480 10.011 -0.569 -11.888 1.00 63.23 N ATOM 0 H ASN A 480 7.625 1.374 -8.754 1.00 32.30 H new ATOM 0 HA ASN A 480 9.079 2.693 -9.775 1.00 12.10 H new ATOM 0 HB2 ASN A 480 8.126 1.126 -12.208 1.00 25.14 H new ATOM 0 HB3 ASN A 480 9.481 2.237 -12.265 1.00 25.14 H new ATOM 0 HD21 ASN A 480 10.636 -1.323 -11.605 1.00 63.23 H new ATOM 0 HD22 ASN A 480 9.517 -0.623 -12.779 1.00 63.23 H new ATOM 722 N GLY A 481 6.699 4.241 -10.285 1.00 44.25 N ATOM 723 CA GLY A 481 6.019 5.464 -10.706 1.00 11.50 C ATOM 724 C GLY A 481 4.632 5.219 -11.300 1.00 31.34 C ATOM 725 O GLY A 481 3.747 6.067 -11.193 1.00 13.41 O ATOM 0 H GLY A 481 6.386 3.871 -9.387 1.00 44.25 H new ATOM 0 HA2 GLY A 481 5.926 6.131 -9.849 1.00 11.50 H new ATOM 0 HA3 GLY A 481 6.636 5.977 -11.444 1.00 11.50 H new ATOM 729 N THR A 482 4.433 4.054 -11.910 1.00 53.42 N ATOM 730 CA THR A 482 3.168 3.739 -12.593 1.00 12.50 C ATOM 731 C THR A 482 2.092 3.257 -11.611 1.00 22.34 C ATOM 732 O THR A 482 2.310 2.309 -10.859 1.00 34.40 O ATOM 733 CB THR A 482 3.374 2.647 -13.673 1.00 10.35 C ATOM 734 OG1 THR A 482 4.359 3.075 -14.626 1.00 74.40 O ATOM 735 CG2 THR A 482 2.069 2.323 -14.398 1.00 32.15 C ATOM 0 H THR A 482 5.128 3.308 -11.949 1.00 53.42 H new ATOM 0 HA THR A 482 2.833 4.665 -13.061 1.00 12.50 H new ATOM 0 HB THR A 482 3.718 1.744 -13.169 1.00 10.35 H new ATOM 0 HG1 THR A 482 4.483 2.378 -15.303 1.00 74.40 H new ATOM 0 HG21 THR A 482 2.251 1.553 -15.148 1.00 32.15 H new ATOM 0 HG22 THR A 482 1.333 1.962 -13.679 1.00 32.15 H new ATOM 0 HG23 THR A 482 1.690 3.222 -14.885 1.00 32.15 H new ATOM 743 N LEU A 483 0.927 3.905 -11.628 1.00 31.23 N ATOM 744 CA LEU A 483 -0.189 3.502 -10.768 1.00 64.43 C ATOM 745 C LEU A 483 -0.710 2.112 -11.165 1.00 73.23 C ATOM 746 O LEU A 483 -1.244 1.917 -12.260 1.00 1.53 O ATOM 747 CB LEU A 483 -1.323 4.539 -10.838 1.00 14.21 C ATOM 748 CG LEU A 483 -2.569 4.218 -9.994 1.00 61.44 C ATOM 749 CD1 LEU A 483 -2.211 4.066 -8.516 1.00 3.34 C ATOM 750 CD2 LEU A 483 -3.634 5.296 -10.178 1.00 61.14 C ATOM 0 H LEU A 483 0.731 4.708 -12.225 1.00 31.23 H new ATOM 0 HA LEU A 483 0.174 3.451 -9.741 1.00 64.43 H new ATOM 0 HB2 LEU A 483 -0.929 5.504 -10.520 1.00 14.21 H new ATOM 0 HB3 LEU A 483 -1.629 4.647 -11.879 1.00 14.21 H new ATOM 0 HG LEU A 483 -2.973 3.267 -10.342 1.00 61.44 H new ATOM 0 HD11 LEU A 483 -3.111 3.840 -7.945 1.00 3.34 H new ATOM 0 HD12 LEU A 483 -1.492 3.255 -8.397 1.00 3.34 H new ATOM 0 HD13 LEU A 483 -1.773 4.995 -8.150 1.00 3.34 H new ATOM 0 HD21 LEU A 483 -4.507 5.052 -9.573 1.00 61.14 H new ATOM 0 HD22 LEU A 483 -3.234 6.260 -9.864 1.00 61.14 H new ATOM 0 HD23 LEU A 483 -3.922 5.347 -11.228 1.00 61.14 H new ATOM 762 N TYR A 484 -0.550 1.147 -10.266 1.00 55.43 N ATOM 763 CA TYR A 484 -0.945 -0.235 -10.532 1.00 12.13 C ATOM 764 C TYR A 484 -2.412 -0.507 -10.153 1.00 71.20 C ATOM 765 O TYR A 484 -3.148 -1.136 -10.917 1.00 73.23 O ATOM 766 CB TYR A 484 -0.014 -1.188 -9.770 1.00 11.42 C ATOM 767 CG TYR A 484 -0.403 -2.648 -9.894 1.00 55.02 C ATOM 768 CD1 TYR A 484 -0.103 -3.372 -11.043 1.00 25.45 C ATOM 769 CD2 TYR A 484 -1.079 -3.297 -8.866 1.00 62.05 C ATOM 770 CE1 TYR A 484 -0.463 -4.700 -11.162 1.00 64.01 C ATOM 771 CE2 TYR A 484 -1.443 -4.625 -8.980 1.00 32.33 C ATOM 772 CZ TYR A 484 -1.132 -5.321 -10.130 1.00 21.43 C ATOM 773 OH TYR A 484 -1.494 -6.643 -10.249 1.00 61.43 O ATOM 0 H TYR A 484 -0.147 1.296 -9.341 1.00 55.43 H new ATOM 0 HA TYR A 484 -0.857 -0.407 -11.605 1.00 12.13 H new ATOM 0 HB2 TYR A 484 1.004 -1.060 -10.139 1.00 11.42 H new ATOM 0 HB3 TYR A 484 -0.008 -0.911 -8.716 1.00 11.42 H new ATOM 0 HD1 TYR A 484 0.420 -2.888 -11.855 1.00 25.45 H new ATOM 0 HD2 TYR A 484 -1.323 -2.754 -7.965 1.00 62.05 H new ATOM 0 HE1 TYR A 484 -0.221 -5.249 -12.060 1.00 64.01 H new ATOM 0 HE2 TYR A 484 -1.968 -5.115 -8.174 1.00 32.33 H new ATOM 0 HH TYR A 484 -1.957 -6.930 -9.434 1.00 61.43 H new ATOM 783 N LYS A 485 -2.841 -0.018 -8.990 1.00 52.21 N ATOM 784 CA LYS A 485 -4.194 -0.306 -8.488 1.00 24.50 C ATOM 785 C LYS A 485 -4.568 0.611 -7.310 1.00 2.14 C ATOM 786 O LYS A 485 -3.693 1.198 -6.672 1.00 31.21 O ATOM 787 CB LYS A 485 -4.281 -1.784 -8.063 1.00 52.52 C ATOM 788 CG LYS A 485 -5.682 -2.251 -7.689 1.00 2.13 C ATOM 789 CD LYS A 485 -5.729 -3.753 -7.426 1.00 64.31 C ATOM 790 CE LYS A 485 -7.151 -4.235 -7.161 1.00 64.44 C ATOM 791 NZ LYS A 485 -8.054 -3.987 -8.320 1.00 1.42 N ATOM 0 H LYS A 485 -2.280 0.575 -8.378 1.00 52.21 H new ATOM 0 HA LYS A 485 -4.905 -0.113 -9.291 1.00 24.50 H new ATOM 0 HB2 LYS A 485 -3.910 -2.406 -8.877 1.00 52.52 H new ATOM 0 HB3 LYS A 485 -3.619 -1.944 -7.212 1.00 52.52 H new ATOM 0 HG2 LYS A 485 -6.018 -1.716 -6.801 1.00 2.13 H new ATOM 0 HG3 LYS A 485 -6.375 -2.001 -8.493 1.00 2.13 H new ATOM 0 HD2 LYS A 485 -5.318 -4.286 -8.284 1.00 64.31 H new ATOM 0 HD3 LYS A 485 -5.098 -3.992 -6.570 1.00 64.31 H new ATOM 0 HE2 LYS A 485 -7.135 -5.301 -6.936 1.00 64.44 H new ATOM 0 HE3 LYS A 485 -7.546 -3.729 -6.280 1.00 64.44 H new ATOM 0 HZ1 LYS A 485 -8.917 -4.557 -8.216 1.00 1.42 H new ATOM 0 HZ2 LYS A 485 -8.307 -2.979 -8.354 1.00 1.42 H new ATOM 0 HZ3 LYS A 485 -7.569 -4.252 -9.201 1.00 1.42 H new ATOM 805 N ASN A 486 -5.868 0.737 -7.028 1.00 71.40 N ATOM 806 CA ASN A 486 -6.342 1.543 -5.892 1.00 61.33 C ATOM 807 C ASN A 486 -7.545 0.882 -5.184 1.00 25.32 C ATOM 808 O ASN A 486 -8.303 0.125 -5.796 1.00 44.41 O ATOM 809 CB ASN A 486 -6.717 2.961 -6.353 1.00 44.33 C ATOM 810 CG ASN A 486 -7.893 2.980 -7.315 1.00 72.23 C ATOM 811 OD1 ASN A 486 -9.046 3.037 -6.902 1.00 41.55 O ATOM 812 ND2 ASN A 486 -7.615 2.945 -8.602 1.00 72.41 N ATOM 0 H ASN A 486 -6.612 0.294 -7.567 1.00 71.40 H new ATOM 0 HA ASN A 486 -5.523 1.606 -5.175 1.00 61.33 H new ATOM 0 HB2 ASN A 486 -6.958 3.569 -5.481 1.00 44.33 H new ATOM 0 HB3 ASN A 486 -5.854 3.421 -6.834 1.00 44.33 H new ATOM 0 HD21 ASN A 486 -8.370 2.965 -9.288 1.00 72.41 H new ATOM 0 HD22 ASN A 486 -6.645 2.898 -8.913 1.00 72.41 H new ATOM 819 N TRP A 487 -7.704 1.173 -3.891 1.00 20.52 N ATOM 820 CA TRP A 487 -8.825 0.655 -3.090 1.00 13.34 C ATOM 821 C TRP A 487 -9.501 1.775 -2.284 1.00 42.35 C ATOM 822 O TRP A 487 -8.853 2.737 -1.870 1.00 22.35 O ATOM 823 CB TRP A 487 -8.345 -0.423 -2.109 1.00 21.53 C ATOM 824 CG TRP A 487 -7.867 -1.691 -2.756 1.00 52.25 C ATOM 825 CD1 TRP A 487 -8.639 -2.718 -3.222 1.00 61.31 C ATOM 826 CD2 TRP A 487 -6.507 -2.076 -2.983 1.00 24.03 C ATOM 827 NE1 TRP A 487 -7.839 -3.715 -3.722 1.00 60.43 N ATOM 828 CE2 TRP A 487 -6.528 -3.346 -3.586 1.00 22.23 C ATOM 829 CE3 TRP A 487 -5.274 -1.471 -2.730 1.00 51.44 C ATOM 830 CZ2 TRP A 487 -5.363 -4.019 -3.944 1.00 40.12 C ATOM 831 CZ3 TRP A 487 -4.119 -2.139 -3.086 1.00 55.03 C ATOM 832 CH2 TRP A 487 -4.170 -3.403 -3.687 1.00 44.32 C ATOM 0 H TRP A 487 -7.065 1.771 -3.368 1.00 20.52 H new ATOM 0 HA TRP A 487 -9.542 0.227 -3.791 1.00 13.34 H new ATOM 0 HB2 TRP A 487 -7.536 -0.012 -1.505 1.00 21.53 H new ATOM 0 HB3 TRP A 487 -9.161 -0.664 -1.427 1.00 21.53 H new ATOM 0 HD1 TRP A 487 -9.719 -2.742 -3.200 1.00 61.31 H new ATOM 0 HE1 TRP A 487 -8.169 -4.590 -4.129 1.00 60.43 H new ATOM 0 HE3 TRP A 487 -5.225 -0.498 -2.264 1.00 51.44 H new ATOM 0 HZ2 TRP A 487 -5.400 -4.993 -4.408 1.00 40.12 H new ATOM 0 HZ3 TRP A 487 -3.160 -1.679 -2.898 1.00 55.03 H new ATOM 0 HH2 TRP A 487 -3.249 -3.901 -3.953 1.00 44.32 H new ATOM 843 N THR A 488 -10.805 1.637 -2.054 1.00 42.43 N ATOM 844 CA THR A 488 -11.548 2.562 -1.189 1.00 34.11 C ATOM 845 C THR A 488 -12.073 1.823 0.046 1.00 60.12 C ATOM 846 O THR A 488 -12.853 0.876 -0.075 1.00 21.10 O ATOM 847 CB THR A 488 -12.740 3.205 -1.941 1.00 35.43 C ATOM 848 OG1 THR A 488 -12.275 3.884 -3.117 1.00 11.10 O ATOM 849 CG2 THR A 488 -13.495 4.189 -1.055 1.00 74.40 C ATOM 0 H THR A 488 -11.374 0.892 -2.455 1.00 42.43 H new ATOM 0 HA THR A 488 -10.861 3.352 -0.885 1.00 34.11 H new ATOM 0 HB THR A 488 -13.422 2.403 -2.223 1.00 35.43 H new ATOM 0 HG1 THR A 488 -13.036 4.285 -3.586 1.00 11.10 H new ATOM 0 HG21 THR A 488 -14.324 4.621 -1.615 1.00 74.40 H new ATOM 0 HG22 THR A 488 -13.881 3.668 -0.179 1.00 74.40 H new ATOM 0 HG23 THR A 488 -12.820 4.983 -0.736 1.00 74.40 H new ATOM 857 N VAL A 489 -11.644 2.251 1.234 1.00 51.44 N ATOM 858 CA VAL A 489 -12.007 1.563 2.483 1.00 23.51 C ATOM 859 C VAL A 489 -12.257 2.547 3.639 1.00 41.22 C ATOM 860 O VAL A 489 -12.062 3.757 3.507 1.00 44.21 O ATOM 861 CB VAL A 489 -10.911 0.548 2.926 1.00 5.53 C ATOM 862 CG1 VAL A 489 -10.741 -0.575 1.901 1.00 51.24 C ATOM 863 CG2 VAL A 489 -9.578 1.255 3.178 1.00 21.14 C ATOM 0 H VAL A 489 -11.047 3.068 1.362 1.00 51.44 H new ATOM 0 HA VAL A 489 -12.931 1.028 2.264 1.00 23.51 H new ATOM 0 HB VAL A 489 -11.242 0.098 3.862 1.00 5.53 H new ATOM 0 HG11 VAL A 489 -9.969 -1.265 2.242 1.00 51.24 H new ATOM 0 HG12 VAL A 489 -11.683 -1.111 1.789 1.00 51.24 H new ATOM 0 HG13 VAL A 489 -10.450 -0.150 0.941 1.00 51.24 H new ATOM 0 HG21 VAL A 489 -8.831 0.524 3.486 1.00 21.14 H new ATOM 0 HG22 VAL A 489 -9.249 1.747 2.263 1.00 21.14 H new ATOM 0 HG23 VAL A 489 -9.704 1.999 3.965 1.00 21.14 H new ATOM 873 N SER A 490 -12.713 2.012 4.768 1.00 35.30 N ATOM 874 CA SER A 490 -12.875 2.795 6.000 1.00 11.24 C ATOM 875 C SER A 490 -12.199 2.083 7.178 1.00 63.31 C ATOM 876 O SER A 490 -12.387 0.881 7.374 1.00 11.23 O ATOM 877 CB SER A 490 -14.364 3.014 6.315 1.00 54.11 C ATOM 878 OG SER A 490 -15.046 1.782 6.533 1.00 31.12 O ATOM 0 H SER A 490 -12.980 1.032 4.860 1.00 35.30 H new ATOM 0 HA SER A 490 -12.402 3.765 5.848 1.00 11.24 H new ATOM 0 HB2 SER A 490 -14.459 3.644 7.200 1.00 54.11 H new ATOM 0 HB3 SER A 490 -14.835 3.549 5.490 1.00 54.11 H new ATOM 0 HG SER A 490 -15.989 1.961 6.732 1.00 31.12 H new ATOM 884 N LEU A 491 -11.432 2.827 7.970 1.00 22.22 N ATOM 885 CA LEU A 491 -10.695 2.243 9.100 1.00 2.33 C ATOM 886 C LEU A 491 -11.166 2.825 10.437 1.00 52.42 C ATOM 887 O LEU A 491 -11.070 4.030 10.673 1.00 0.40 O ATOM 888 CB LEU A 491 -9.189 2.493 8.937 1.00 52.05 C ATOM 889 CG LEU A 491 -8.531 1.813 7.725 1.00 71.30 C ATOM 890 CD1 LEU A 491 -7.061 2.202 7.622 1.00 74.24 C ATOM 891 CD2 LEU A 491 -8.676 0.299 7.815 1.00 1.23 C ATOM 0 H LEU A 491 -11.301 3.832 7.856 1.00 22.22 H new ATOM 0 HA LEU A 491 -10.891 1.171 9.103 1.00 2.33 H new ATOM 0 HB2 LEU A 491 -9.023 3.568 8.863 1.00 52.05 H new ATOM 0 HB3 LEU A 491 -8.683 2.154 9.841 1.00 52.05 H new ATOM 0 HG LEU A 491 -9.041 2.155 6.824 1.00 71.30 H new ATOM 0 HD11 LEU A 491 -6.614 1.710 6.758 1.00 74.24 H new ATOM 0 HD12 LEU A 491 -6.978 3.283 7.508 1.00 74.24 H new ATOM 0 HD13 LEU A 491 -6.538 1.892 8.527 1.00 74.24 H new ATOM 0 HD21 LEU A 491 -8.204 -0.164 6.948 1.00 1.23 H new ATOM 0 HD22 LEU A 491 -8.194 -0.059 8.725 1.00 1.23 H new ATOM 0 HD23 LEU A 491 -9.733 0.035 7.836 1.00 1.23 H new ATOM 903 N GLY A 492 -11.654 1.954 11.318 1.00 52.34 N ATOM 904 CA GLY A 492 -12.124 2.391 12.626 1.00 31.35 C ATOM 905 C GLY A 492 -10.999 2.517 13.649 1.00 21.51 C ATOM 906 O GLY A 492 -9.828 2.300 13.323 1.00 71.22 O ATOM 0 H GLY A 492 -11.733 0.951 11.150 1.00 52.34 H new ATOM 0 HA2 GLY A 492 -12.625 3.354 12.524 1.00 31.35 H new ATOM 0 HA3 GLY A 492 -12.866 1.683 12.995 1.00 31.35 H new ATOM 910 N PRO A 493 -11.327 2.867 14.905 1.00 71.54 N ATOM 911 CA PRO A 493 -10.330 3.022 15.978 1.00 62.52 C ATOM 912 C PRO A 493 -9.431 1.780 16.151 1.00 15.54 C ATOM 913 O PRO A 493 -9.882 0.734 16.629 1.00 23.43 O ATOM 914 CB PRO A 493 -11.183 3.269 17.240 1.00 64.22 C ATOM 915 CG PRO A 493 -12.579 2.891 16.859 1.00 3.10 C ATOM 916 CD PRO A 493 -12.690 3.147 15.384 1.00 54.31 C ATOM 0 HA PRO A 493 -9.632 3.831 15.761 1.00 62.52 H new ATOM 0 HB2 PRO A 493 -10.828 2.668 18.077 1.00 64.22 H new ATOM 0 HB3 PRO A 493 -11.130 4.312 17.552 1.00 64.22 H new ATOM 0 HG2 PRO A 493 -12.776 1.844 17.089 1.00 3.10 H new ATOM 0 HG3 PRO A 493 -13.308 3.482 17.413 1.00 3.10 H new ATOM 0 HD2 PRO A 493 -13.426 2.495 14.914 1.00 54.31 H new ATOM 0 HD3 PRO A 493 -12.991 4.173 15.172 1.00 54.31 H new ATOM 924 N LYS A 494 -8.163 1.908 15.733 1.00 42.23 N ATOM 925 CA LYS A 494 -7.166 0.832 15.871 1.00 34.12 C ATOM 926 C LYS A 494 -7.502 -0.388 14.982 1.00 3.25 C ATOM 927 O LYS A 494 -7.213 -1.529 15.341 1.00 23.40 O ATOM 928 CB LYS A 494 -7.042 0.408 17.348 1.00 65.21 C ATOM 929 CG LYS A 494 -6.578 1.524 18.289 1.00 54.34 C ATOM 930 CD LYS A 494 -5.131 1.942 18.026 1.00 42.42 C ATOM 931 CE LYS A 494 -4.615 2.915 19.085 1.00 25.03 C ATOM 932 NZ LYS A 494 -3.211 3.335 18.820 1.00 73.30 N ATOM 0 H LYS A 494 -7.800 2.753 15.293 1.00 42.23 H new ATOM 0 HA LYS A 494 -6.208 1.225 15.530 1.00 34.12 H new ATOM 0 HB2 LYS A 494 -8.009 0.039 17.690 1.00 65.21 H new ATOM 0 HB3 LYS A 494 -6.341 -0.424 17.417 1.00 65.21 H new ATOM 0 HG2 LYS A 494 -7.231 2.389 18.172 1.00 54.34 H new ATOM 0 HG3 LYS A 494 -6.675 1.189 19.322 1.00 54.34 H new ATOM 0 HD2 LYS A 494 -4.496 1.057 18.007 1.00 42.42 H new ATOM 0 HD3 LYS A 494 -5.061 2.406 17.042 1.00 42.42 H new ATOM 0 HE2 LYS A 494 -5.258 3.795 19.113 1.00 25.03 H new ATOM 0 HE3 LYS A 494 -4.674 2.446 20.067 1.00 25.03 H new ATOM 0 HZ1 LYS A 494 -2.787 3.703 19.696 1.00 73.30 H new ATOM 0 HZ2 LYS A 494 -2.661 2.518 18.486 1.00 73.30 H new ATOM 0 HZ3 LYS A 494 -3.202 4.078 18.093 1.00 73.30 H new ATOM 946 N GLU A 495 -8.078 -0.137 13.804 1.00 72.21 N ATOM 947 CA GLU A 495 -8.492 -1.219 12.892 1.00 24.24 C ATOM 948 C GLU A 495 -7.507 -1.410 11.724 1.00 3.52 C ATOM 949 O GLU A 495 -6.841 -0.465 11.302 1.00 32.43 O ATOM 950 CB GLU A 495 -9.891 -0.913 12.331 1.00 54.23 C ATOM 951 CG GLU A 495 -10.437 -1.974 11.374 1.00 10.24 C ATOM 952 CD GLU A 495 -10.695 -3.318 12.044 1.00 33.45 C ATOM 953 OE1 GLU A 495 -9.738 -4.105 12.215 1.00 10.41 O ATOM 954 OE2 GLU A 495 -11.862 -3.603 12.387 1.00 5.13 O ATOM 0 H GLU A 495 -8.270 0.802 13.455 1.00 72.21 H new ATOM 0 HA GLU A 495 -8.504 -2.144 13.469 1.00 24.24 H new ATOM 0 HB2 GLU A 495 -10.586 -0.801 13.163 1.00 54.23 H new ATOM 0 HB3 GLU A 495 -9.859 0.045 11.811 1.00 54.23 H new ATOM 0 HG2 GLU A 495 -11.366 -1.612 10.933 1.00 10.24 H new ATOM 0 HG3 GLU A 495 -9.730 -2.114 10.556 1.00 10.24 H new ATOM 961 N GLU A 496 -7.430 -2.640 11.202 1.00 73.43 N ATOM 962 CA GLU A 496 -6.643 -2.931 9.997 1.00 14.01 C ATOM 963 C GLU A 496 -7.436 -3.798 9.007 1.00 62.22 C ATOM 964 O GLU A 496 -8.168 -4.707 9.402 1.00 73.25 O ATOM 965 CB GLU A 496 -5.318 -3.638 10.336 1.00 3.04 C ATOM 966 CG GLU A 496 -4.555 -4.103 9.090 1.00 22.11 C ATOM 967 CD GLU A 496 -3.166 -4.646 9.384 1.00 34.24 C ATOM 968 OE1 GLU A 496 -3.039 -5.850 9.700 1.00 11.03 O ATOM 969 OE2 GLU A 496 -2.192 -3.882 9.270 1.00 41.12 O ATOM 0 H GLU A 496 -7.905 -3.452 11.596 1.00 73.43 H new ATOM 0 HA GLU A 496 -6.420 -1.969 9.535 1.00 14.01 H new ATOM 0 HB2 GLU A 496 -4.687 -2.960 10.911 1.00 3.04 H new ATOM 0 HB3 GLU A 496 -5.524 -4.499 10.972 1.00 3.04 H new ATOM 0 HG2 GLU A 496 -5.137 -4.875 8.587 1.00 22.11 H new ATOM 0 HG3 GLU A 496 -4.468 -3.267 8.396 1.00 22.11 H new ATOM 976 N LYS A 497 -7.281 -3.507 7.718 1.00 30.40 N ATOM 977 CA LYS A 497 -7.869 -4.327 6.651 1.00 35.12 C ATOM 978 C LYS A 497 -6.753 -4.940 5.789 1.00 3.03 C ATOM 979 O LYS A 497 -5.831 -4.239 5.364 1.00 22.31 O ATOM 980 CB LYS A 497 -8.805 -3.480 5.770 1.00 11.23 C ATOM 981 CG LYS A 497 -9.868 -2.701 6.548 1.00 1.44 C ATOM 982 CD LYS A 497 -10.854 -3.608 7.284 1.00 4.44 C ATOM 983 CE LYS A 497 -11.740 -4.395 6.325 1.00 11.11 C ATOM 984 NZ LYS A 497 -12.759 -5.198 7.051 1.00 52.13 N ATOM 0 H LYS A 497 -6.750 -2.704 7.381 1.00 30.40 H new ATOM 0 HA LYS A 497 -8.452 -5.126 7.108 1.00 35.12 H new ATOM 0 HB2 LYS A 497 -8.204 -2.776 5.194 1.00 11.23 H new ATOM 0 HB3 LYS A 497 -9.302 -4.135 5.054 1.00 11.23 H new ATOM 0 HG2 LYS A 497 -9.377 -2.047 7.269 1.00 1.44 H new ATOM 0 HG3 LYS A 497 -10.418 -2.060 5.859 1.00 1.44 H new ATOM 0 HD2 LYS A 497 -10.303 -4.302 7.918 1.00 4.44 H new ATOM 0 HD3 LYS A 497 -11.480 -3.004 7.941 1.00 4.44 H new ATOM 0 HE2 LYS A 497 -12.238 -3.707 5.642 1.00 11.11 H new ATOM 0 HE3 LYS A 497 -11.122 -5.056 5.717 1.00 11.11 H new ATOM 0 HZ1 LYS A 497 -13.343 -5.719 6.366 1.00 52.13 H new ATOM 0 HZ2 LYS A 497 -12.283 -5.872 7.684 1.00 52.13 H new ATOM 0 HZ3 LYS A 497 -13.365 -4.565 7.611 1.00 52.13 H new ATOM 998 N VAL A 498 -6.833 -6.245 5.532 1.00 62.24 N ATOM 999 CA VAL A 498 -5.800 -6.935 4.748 1.00 64.45 C ATOM 1000 C VAL A 498 -6.245 -7.135 3.292 1.00 63.51 C ATOM 1001 O VAL A 498 -7.182 -7.884 3.007 1.00 12.40 O ATOM 1002 CB VAL A 498 -5.442 -8.312 5.365 1.00 42.04 C ATOM 1003 CG1 VAL A 498 -4.332 -8.998 4.564 1.00 30.10 C ATOM 1004 CG2 VAL A 498 -5.036 -8.154 6.830 1.00 44.23 C ATOM 0 H VAL A 498 -7.594 -6.845 5.850 1.00 62.24 H new ATOM 0 HA VAL A 498 -4.915 -6.298 4.767 1.00 64.45 H new ATOM 0 HB VAL A 498 -6.328 -8.945 5.321 1.00 42.04 H new ATOM 0 HG11 VAL A 498 -4.099 -9.962 5.017 1.00 30.10 H new ATOM 0 HG12 VAL A 498 -4.665 -9.150 3.537 1.00 30.10 H new ATOM 0 HG13 VAL A 498 -3.441 -8.371 4.567 1.00 30.10 H new ATOM 0 HG21 VAL A 498 -4.788 -9.130 7.246 1.00 44.23 H new ATOM 0 HG22 VAL A 498 -4.167 -7.499 6.898 1.00 44.23 H new ATOM 0 HG23 VAL A 498 -5.863 -7.719 7.392 1.00 44.23 H new ATOM 1014 N LEU A 499 -5.560 -6.456 2.379 1.00 44.10 N ATOM 1015 CA LEU A 499 -5.870 -6.524 0.947 1.00 20.41 C ATOM 1016 C LEU A 499 -4.824 -7.363 0.193 1.00 34.54 C ATOM 1017 O LEU A 499 -3.647 -7.364 0.550 1.00 51.21 O ATOM 1018 CB LEU A 499 -5.910 -5.100 0.368 1.00 43.20 C ATOM 1019 CG LEU A 499 -6.861 -4.128 1.091 1.00 55.13 C ATOM 1020 CD1 LEU A 499 -6.668 -2.702 0.583 1.00 73.43 C ATOM 1021 CD2 LEU A 499 -8.316 -4.566 0.928 1.00 31.51 C ATOM 0 H LEU A 499 -4.776 -5.844 2.604 1.00 44.10 H new ATOM 0 HA LEU A 499 -6.841 -7.003 0.824 1.00 20.41 H new ATOM 0 HB2 LEU A 499 -4.902 -4.685 0.394 1.00 43.20 H new ATOM 0 HB3 LEU A 499 -6.203 -5.159 -0.680 1.00 43.20 H new ATOM 0 HG LEU A 499 -6.618 -4.148 2.153 1.00 55.13 H new ATOM 0 HD11 LEU A 499 -7.350 -2.033 1.108 1.00 73.43 H new ATOM 0 HD12 LEU A 499 -5.640 -2.387 0.764 1.00 73.43 H new ATOM 0 HD13 LEU A 499 -6.876 -2.666 -0.486 1.00 73.43 H new ATOM 0 HD21 LEU A 499 -8.968 -3.864 1.447 1.00 31.51 H new ATOM 0 HD22 LEU A 499 -8.574 -4.585 -0.131 1.00 31.51 H new ATOM 0 HD23 LEU A 499 -8.446 -5.562 1.351 1.00 31.51 H new ATOM 1033 N THR A 500 -5.255 -8.078 -0.844 1.00 5.55 N ATOM 1034 CA THR A 500 -4.334 -8.874 -1.673 1.00 32.53 C ATOM 1035 C THR A 500 -4.443 -8.514 -3.155 1.00 32.41 C ATOM 1036 O THR A 500 -5.475 -8.028 -3.621 1.00 4.15 O ATOM 1037 CB THR A 500 -4.582 -10.398 -1.539 1.00 13.54 C ATOM 1038 OG1 THR A 500 -5.968 -10.703 -1.756 1.00 70.52 O ATOM 1039 CG2 THR A 500 -4.147 -10.922 -0.176 1.00 33.34 C ATOM 0 H THR A 500 -6.231 -8.127 -1.135 1.00 5.55 H new ATOM 0 HA THR A 500 -3.338 -8.633 -1.301 1.00 32.53 H new ATOM 0 HB THR A 500 -3.979 -10.893 -2.301 1.00 13.54 H new ATOM 0 HG1 THR A 500 -6.108 -11.669 -1.670 1.00 70.52 H new ATOM 0 HG21 THR A 500 -4.337 -11.994 -0.121 1.00 33.34 H new ATOM 0 HG22 THR A 500 -3.082 -10.734 -0.037 1.00 33.34 H new ATOM 0 HG23 THR A 500 -4.710 -10.413 0.606 1.00 33.34 H new ATOM 1047 N PHE A 501 -3.363 -8.757 -3.891 1.00 44.30 N ATOM 1048 CA PHE A 501 -3.357 -8.587 -5.345 1.00 33.13 C ATOM 1049 C PHE A 501 -2.290 -9.481 -5.988 1.00 64.53 C ATOM 1050 O PHE A 501 -1.265 -9.786 -5.373 1.00 12.53 O ATOM 1051 CB PHE A 501 -3.121 -7.116 -5.728 1.00 71.32 C ATOM 1052 CG PHE A 501 -1.765 -6.576 -5.336 1.00 21.12 C ATOM 1053 CD1 PHE A 501 -1.540 -6.070 -4.064 1.00 34.13 C ATOM 1054 CD2 PHE A 501 -0.716 -6.565 -6.249 1.00 2.05 C ATOM 1055 CE1 PHE A 501 -0.303 -5.567 -3.711 1.00 72.14 C ATOM 1056 CE2 PHE A 501 0.522 -6.064 -5.897 1.00 13.13 C ATOM 1057 CZ PHE A 501 0.730 -5.564 -4.629 1.00 24.10 C ATOM 0 H PHE A 501 -2.474 -9.074 -3.504 1.00 44.30 H new ATOM 0 HA PHE A 501 -4.336 -8.885 -5.721 1.00 33.13 H new ATOM 0 HB2 PHE A 501 -3.242 -7.011 -6.806 1.00 71.32 H new ATOM 0 HB3 PHE A 501 -3.891 -6.504 -5.259 1.00 71.32 H new ATOM 0 HD1 PHE A 501 -2.342 -6.069 -3.341 1.00 34.13 H new ATOM 0 HD2 PHE A 501 -0.871 -6.953 -7.245 1.00 2.05 H new ATOM 0 HE1 PHE A 501 -0.143 -5.176 -2.717 1.00 72.14 H new ATOM 0 HE2 PHE A 501 1.328 -6.064 -6.616 1.00 13.13 H new ATOM 0 HZ PHE A 501 1.698 -5.171 -4.354 1.00 24.10 H new ATOM 1067 N SER A 502 -2.536 -9.902 -7.224 1.00 33.12 N ATOM 1068 CA SER A 502 -1.588 -10.749 -7.956 1.00 43.45 C ATOM 1069 C SER A 502 -0.939 -9.966 -9.106 1.00 71.33 C ATOM 1070 O SER A 502 -1.604 -9.588 -10.071 1.00 12.50 O ATOM 1071 CB SER A 502 -2.305 -11.993 -8.499 1.00 51.13 C ATOM 1072 OG SER A 502 -3.365 -11.643 -9.382 1.00 14.14 O ATOM 0 H SER A 502 -3.383 -9.673 -7.744 1.00 33.12 H new ATOM 0 HA SER A 502 -0.802 -11.064 -7.269 1.00 43.45 H new ATOM 0 HB2 SER A 502 -1.589 -12.627 -9.022 1.00 51.13 H new ATOM 0 HB3 SER A 502 -2.701 -12.577 -7.668 1.00 51.13 H new ATOM 0 HG SER A 502 -3.116 -10.844 -9.892 1.00 14.14 H new ATOM 1078 N TRP A 503 0.368 -9.750 -8.996 1.00 64.00 N ATOM 1079 CA TRP A 503 1.122 -8.926 -9.945 1.00 40.01 C ATOM 1080 C TRP A 503 2.045 -9.776 -10.839 1.00 10.42 C ATOM 1081 O TRP A 503 2.675 -10.729 -10.377 1.00 13.52 O ATOM 1082 CB TRP A 503 1.932 -7.877 -9.164 1.00 24.12 C ATOM 1083 CG TRP A 503 2.892 -7.086 -10.005 1.00 41.23 C ATOM 1084 CD1 TRP A 503 2.593 -6.269 -11.057 1.00 33.43 C ATOM 1085 CD2 TRP A 503 4.312 -7.032 -9.848 1.00 74.42 C ATOM 1086 NE1 TRP A 503 3.742 -5.717 -11.566 1.00 33.34 N ATOM 1087 CE2 TRP A 503 4.810 -6.169 -10.839 1.00 11.15 C ATOM 1088 CE3 TRP A 503 5.212 -7.634 -8.961 1.00 11.12 C ATOM 1089 CZ2 TRP A 503 6.168 -5.891 -10.968 1.00 52.03 C ATOM 1090 CZ3 TRP A 503 6.559 -7.357 -9.092 1.00 33.35 C ATOM 1091 CH2 TRP A 503 7.024 -6.492 -10.088 1.00 4.22 C ATOM 0 H TRP A 503 0.939 -10.140 -8.246 1.00 64.00 H new ATOM 0 HA TRP A 503 0.416 -8.427 -10.609 1.00 40.01 H new ATOM 0 HB2 TRP A 503 1.240 -7.189 -8.678 1.00 24.12 H new ATOM 0 HB3 TRP A 503 2.489 -8.380 -8.373 1.00 24.12 H new ATOM 0 HD1 TRP A 503 1.598 -6.084 -11.434 1.00 33.43 H new ATOM 0 HE1 TRP A 503 3.792 -5.075 -12.357 1.00 33.34 H new ATOM 0 HE3 TRP A 503 4.860 -8.302 -8.189 1.00 11.12 H new ATOM 0 HZ2 TRP A 503 6.532 -5.224 -11.736 1.00 52.03 H new ATOM 0 HZ3 TRP A 503 7.264 -7.816 -8.415 1.00 33.35 H new ATOM 0 HH2 TRP A 503 8.083 -6.295 -10.163 1.00 4.22 H new ATOM 1102 N THR A 504 2.088 -9.437 -12.129 1.00 60.15 N ATOM 1103 CA THR A 504 2.954 -10.130 -13.098 1.00 4.04 C ATOM 1104 C THR A 504 3.889 -9.145 -13.828 1.00 23.51 C ATOM 1105 O THR A 504 3.436 -8.342 -14.645 1.00 33.51 O ATOM 1106 CB THR A 504 2.116 -10.895 -14.154 1.00 21.04 C ATOM 1107 OG1 THR A 504 1.320 -11.904 -13.515 1.00 2.21 O ATOM 1108 CG2 THR A 504 3.003 -11.550 -15.210 1.00 73.23 C ATOM 0 H THR A 504 1.532 -8.683 -12.533 1.00 60.15 H new ATOM 0 HA THR A 504 3.554 -10.838 -12.527 1.00 4.04 H new ATOM 0 HB THR A 504 1.471 -10.169 -14.649 1.00 21.04 H new ATOM 0 HG1 THR A 504 0.793 -12.381 -14.190 1.00 2.21 H new ATOM 0 HG21 THR A 504 2.380 -12.077 -15.933 1.00 73.23 H new ATOM 0 HG22 THR A 504 3.585 -10.784 -15.723 1.00 73.23 H new ATOM 0 HG23 THR A 504 3.679 -12.258 -14.730 1.00 73.23 H new ATOM 1116 N PRO A 505 5.202 -9.179 -13.531 1.00 63.13 N ATOM 1117 CA PRO A 505 6.197 -8.330 -14.212 1.00 44.14 C ATOM 1118 C PRO A 505 6.622 -8.887 -15.586 1.00 75.54 C ATOM 1119 O PRO A 505 7.164 -9.984 -15.677 1.00 64.44 O ATOM 1120 CB PRO A 505 7.377 -8.353 -13.236 1.00 74.00 C ATOM 1121 CG PRO A 505 7.294 -9.693 -12.582 1.00 2.12 C ATOM 1122 CD PRO A 505 5.823 -10.027 -12.488 1.00 62.23 C ATOM 0 HA PRO A 505 5.809 -7.335 -14.430 1.00 44.14 H new ATOM 0 HB2 PRO A 505 8.326 -8.223 -13.757 1.00 74.00 H new ATOM 0 HB3 PRO A 505 7.303 -7.549 -12.504 1.00 74.00 H new ATOM 0 HG2 PRO A 505 7.827 -10.444 -13.165 1.00 2.12 H new ATOM 0 HG3 PRO A 505 7.752 -9.672 -11.593 1.00 2.12 H new ATOM 0 HD2 PRO A 505 5.640 -11.086 -12.672 1.00 62.23 H new ATOM 0 HD3 PRO A 505 5.424 -9.802 -11.499 1.00 62.23 H new ATOM 1130 N THR A 506 6.386 -8.126 -16.654 1.00 55.22 N ATOM 1131 CA THR A 506 6.745 -8.569 -18.017 1.00 73.11 C ATOM 1132 C THR A 506 8.177 -8.159 -18.405 1.00 61.44 C ATOM 1133 O THR A 506 8.561 -8.227 -19.576 1.00 71.11 O ATOM 1134 CB THR A 506 5.758 -8.019 -19.073 1.00 61.04 C ATOM 1135 OG1 THR A 506 5.715 -6.584 -19.014 1.00 25.22 O ATOM 1136 CG2 THR A 506 4.358 -8.580 -18.854 1.00 62.24 C ATOM 0 H THR A 506 5.951 -7.204 -16.611 1.00 55.22 H new ATOM 0 HA THR A 506 6.687 -9.657 -18.002 1.00 73.11 H new ATOM 0 HB THR A 506 6.110 -8.331 -20.056 1.00 61.04 H new ATOM 0 HG1 THR A 506 5.088 -6.248 -19.688 1.00 25.22 H new ATOM 0 HG21 THR A 506 3.683 -8.178 -19.609 1.00 62.24 H new ATOM 0 HG22 THR A 506 4.385 -9.667 -18.933 1.00 62.24 H new ATOM 0 HG23 THR A 506 4.004 -8.297 -17.863 1.00 62.24 H new ATOM 1144 N GLN A 507 8.959 -7.746 -17.416 1.00 3.35 N ATOM 1145 CA GLN A 507 10.372 -7.398 -17.613 1.00 61.33 C ATOM 1146 C GLN A 507 11.207 -7.837 -16.402 1.00 55.11 C ATOM 1147 O GLN A 507 10.750 -7.750 -15.263 1.00 62.13 O ATOM 1148 CB GLN A 507 10.517 -5.882 -17.827 1.00 40.14 C ATOM 1149 CG GLN A 507 11.961 -5.384 -17.817 1.00 23.53 C ATOM 1150 CD GLN A 507 12.061 -3.871 -17.710 1.00 12.32 C ATOM 1151 OE1 GLN A 507 12.109 -3.312 -16.617 1.00 14.34 O ATOM 1152 NE2 GLN A 507 12.100 -3.192 -18.837 1.00 61.23 N ATOM 0 H GLN A 507 8.638 -7.641 -16.454 1.00 3.35 H new ATOM 0 HA GLN A 507 10.737 -7.920 -18.497 1.00 61.33 H new ATOM 0 HB2 GLN A 507 10.059 -5.615 -18.779 1.00 40.14 H new ATOM 0 HB3 GLN A 507 9.959 -5.361 -17.048 1.00 40.14 H new ATOM 0 HG2 GLN A 507 12.492 -5.839 -16.981 1.00 23.53 H new ATOM 0 HG3 GLN A 507 12.460 -5.713 -18.728 1.00 23.53 H new ATOM 0 HE21 GLN A 507 12.058 -3.683 -19.730 1.00 61.23 H new ATOM 0 HE22 GLN A 507 12.172 -2.175 -18.817 1.00 61.23 H new ATOM 1161 N GLU A 508 12.422 -8.322 -16.647 1.00 65.22 N ATOM 1162 CA GLU A 508 13.338 -8.669 -15.558 1.00 64.20 C ATOM 1163 C GLU A 508 14.184 -7.452 -15.144 1.00 4.41 C ATOM 1164 O GLU A 508 14.678 -6.704 -15.988 1.00 74.41 O ATOM 1165 CB GLU A 508 14.217 -9.878 -15.946 1.00 33.35 C ATOM 1166 CG GLU A 508 14.932 -9.773 -17.297 1.00 34.33 C ATOM 1167 CD GLU A 508 16.236 -8.995 -17.250 1.00 42.54 C ATOM 1168 OE1 GLU A 508 17.084 -9.308 -16.385 1.00 70.10 O ATOM 1169 OE2 GLU A 508 16.436 -8.099 -18.101 1.00 21.31 O ATOM 0 H GLU A 508 12.795 -8.484 -17.582 1.00 65.22 H new ATOM 0 HA GLU A 508 12.748 -8.962 -14.690 1.00 64.20 H new ATOM 0 HB2 GLU A 508 14.967 -10.023 -15.169 1.00 33.35 H new ATOM 0 HB3 GLU A 508 13.591 -10.771 -15.955 1.00 33.35 H new ATOM 0 HG2 GLU A 508 15.134 -10.778 -17.668 1.00 34.33 H new ATOM 0 HG3 GLU A 508 14.263 -9.297 -18.014 1.00 34.33 H new ATOM 1176 N GLY A 509 14.326 -7.242 -13.838 1.00 21.22 N ATOM 1177 CA GLY A 509 15.020 -6.061 -13.336 1.00 70.32 C ATOM 1178 C GLY A 509 14.494 -5.595 -11.980 1.00 43.31 C ATOM 1179 O GLY A 509 13.764 -6.320 -11.303 1.00 33.20 O ATOM 0 H GLY A 509 13.973 -7.868 -13.114 1.00 21.22 H new ATOM 0 HA2 GLY A 509 16.085 -6.280 -13.252 1.00 70.32 H new ATOM 0 HA3 GLY A 509 14.917 -5.251 -14.058 1.00 70.32 H new ATOM 1183 N MET A 510 14.879 -4.386 -11.578 1.00 71.32 N ATOM 1184 CA MET A 510 14.467 -3.829 -10.283 1.00 31.42 C ATOM 1185 C MET A 510 13.080 -3.165 -10.347 1.00 33.34 C ATOM 1186 O MET A 510 12.859 -2.219 -11.109 1.00 15.14 O ATOM 1187 CB MET A 510 15.503 -2.810 -9.793 1.00 12.30 C ATOM 1188 CG MET A 510 16.855 -3.425 -9.467 1.00 62.13 C ATOM 1189 SD MET A 510 16.748 -4.680 -8.171 1.00 73.53 S ATOM 1190 CE MET A 510 16.110 -3.714 -6.799 1.00 42.31 C ATOM 0 H MET A 510 15.477 -3.769 -12.128 1.00 71.32 H new ATOM 0 HA MET A 510 14.403 -4.661 -9.582 1.00 31.42 H new ATOM 0 HB2 MET A 510 15.636 -2.044 -10.557 1.00 12.30 H new ATOM 0 HB3 MET A 510 15.117 -2.310 -8.905 1.00 12.30 H new ATOM 0 HG2 MET A 510 17.274 -3.872 -10.368 1.00 62.13 H new ATOM 0 HG3 MET A 510 17.542 -2.639 -9.152 1.00 62.13 H new ATOM 0 HE1 MET A 510 16.288 -4.247 -5.865 1.00 42.31 H new ATOM 0 HE2 MET A 510 16.615 -2.749 -6.768 1.00 42.31 H new ATOM 0 HE3 MET A 510 15.039 -3.559 -6.930 1.00 42.31 H new ATOM 1200 N TYR A 511 12.152 -3.666 -9.536 1.00 42.21 N ATOM 1201 CA TYR A 511 10.814 -3.078 -9.414 1.00 61.20 C ATOM 1202 C TYR A 511 10.543 -2.593 -7.985 1.00 41.34 C ATOM 1203 O TYR A 511 10.463 -3.389 -7.051 1.00 53.01 O ATOM 1204 CB TYR A 511 9.742 -4.094 -9.832 1.00 64.34 C ATOM 1205 CG TYR A 511 9.590 -4.244 -11.334 1.00 53.23 C ATOM 1206 CD1 TYR A 511 10.433 -5.073 -12.065 1.00 52.55 C ATOM 1207 CD2 TYR A 511 8.595 -3.556 -12.016 1.00 62.24 C ATOM 1208 CE1 TYR A 511 10.287 -5.208 -13.431 1.00 43.45 C ATOM 1209 CE2 TYR A 511 8.442 -3.688 -13.378 1.00 21.20 C ATOM 1210 CZ TYR A 511 9.289 -4.515 -14.081 1.00 4.12 C ATOM 1211 OH TYR A 511 9.136 -4.649 -15.438 1.00 22.31 O ATOM 0 H TYR A 511 12.301 -4.485 -8.947 1.00 42.21 H new ATOM 0 HA TYR A 511 10.771 -2.216 -10.080 1.00 61.20 H new ATOM 0 HB2 TYR A 511 9.989 -5.065 -9.403 1.00 64.34 H new ATOM 0 HB3 TYR A 511 8.784 -3.792 -9.408 1.00 64.34 H new ATOM 0 HD1 TYR A 511 11.214 -5.619 -11.557 1.00 52.55 H new ATOM 0 HD2 TYR A 511 7.929 -2.906 -11.468 1.00 62.24 H new ATOM 0 HE1 TYR A 511 10.951 -5.853 -13.987 1.00 43.45 H new ATOM 0 HE2 TYR A 511 7.662 -3.146 -13.892 1.00 21.20 H new ATOM 0 HH TYR A 511 9.444 -3.833 -15.884 1.00 22.31 H new ATOM 1221 N ARG A 512 10.411 -1.282 -7.819 1.00 64.32 N ATOM 1222 CA ARG A 512 10.099 -0.698 -6.515 1.00 55.12 C ATOM 1223 C ARG A 512 8.590 -0.437 -6.384 1.00 5.20 C ATOM 1224 O ARG A 512 8.034 0.420 -7.072 1.00 21.51 O ATOM 1225 CB ARG A 512 10.893 0.601 -6.321 1.00 14.25 C ATOM 1226 CG ARG A 512 10.686 1.256 -4.959 1.00 34.10 C ATOM 1227 CD ARG A 512 11.619 2.445 -4.752 1.00 23.10 C ATOM 1228 NE ARG A 512 13.028 2.059 -4.831 1.00 31.32 N ATOM 1229 CZ ARG A 512 13.908 2.289 -3.897 1.00 12.53 C ATOM 1230 NH1 ARG A 512 13.578 2.908 -2.811 1.00 23.44 N ATOM 1231 NH2 ARG A 512 15.127 1.901 -4.059 1.00 42.23 N ATOM 0 H ARG A 512 10.515 -0.601 -8.571 1.00 64.32 H new ATOM 0 HA ARG A 512 10.387 -1.404 -5.736 1.00 55.12 H new ATOM 0 HB2 ARG A 512 11.954 0.390 -6.454 1.00 14.25 H new ATOM 0 HB3 ARG A 512 10.609 1.308 -7.100 1.00 14.25 H new ATOM 0 HG2 ARG A 512 9.651 1.586 -4.869 1.00 34.10 H new ATOM 0 HG3 ARG A 512 10.856 0.520 -4.173 1.00 34.10 H new ATOM 0 HD2 ARG A 512 11.409 3.205 -5.504 1.00 23.10 H new ATOM 0 HD3 ARG A 512 11.421 2.896 -3.779 1.00 23.10 H new ATOM 0 HE ARG A 512 13.343 1.578 -5.673 1.00 31.32 H new ATOM 0 HH11 ARG A 512 12.618 3.224 -2.676 1.00 23.44 H new ATOM 0 HH12 ARG A 512 14.278 3.080 -2.089 1.00 23.44 H new ATOM 0 HH21 ARG A 512 15.399 1.417 -4.915 1.00 42.23 H new ATOM 0 HH22 ARG A 512 15.820 2.078 -3.332 1.00 42.23 H new ATOM 1245 N ILE A 513 7.931 -1.195 -5.512 1.00 64.51 N ATOM 1246 CA ILE A 513 6.488 -1.063 -5.300 1.00 33.23 C ATOM 1247 C ILE A 513 6.178 -0.166 -4.089 1.00 52.32 C ATOM 1248 O ILE A 513 6.488 -0.511 -2.947 1.00 24.10 O ATOM 1249 CB ILE A 513 5.826 -2.451 -5.092 1.00 11.04 C ATOM 1250 CG1 ILE A 513 6.106 -3.370 -6.299 1.00 41.10 C ATOM 1251 CG2 ILE A 513 4.320 -2.303 -4.862 1.00 51.10 C ATOM 1252 CD1 ILE A 513 5.488 -4.750 -6.179 1.00 75.02 C ATOM 0 H ILE A 513 8.374 -1.911 -4.937 1.00 64.51 H new ATOM 0 HA ILE A 513 6.076 -0.599 -6.196 1.00 33.23 H new ATOM 0 HB ILE A 513 6.262 -2.909 -4.204 1.00 11.04 H new ATOM 0 HG12 ILE A 513 5.729 -2.891 -7.203 1.00 41.10 H new ATOM 0 HG13 ILE A 513 7.184 -3.475 -6.420 1.00 41.10 H new ATOM 0 HG21 ILE A 513 3.875 -3.288 -4.718 1.00 51.10 H new ATOM 0 HG22 ILE A 513 4.146 -1.693 -3.975 1.00 51.10 H new ATOM 0 HG23 ILE A 513 3.865 -1.822 -5.728 1.00 51.10 H new ATOM 0 HD11 ILE A 513 5.730 -5.335 -7.066 1.00 75.02 H new ATOM 0 HD12 ILE A 513 5.884 -5.250 -5.295 1.00 75.02 H new ATOM 0 HD13 ILE A 513 4.406 -4.657 -6.089 1.00 75.02 H new ATOM 1264 N ASN A 514 5.573 0.987 -4.349 1.00 4.24 N ATOM 1265 CA ASN A 514 5.190 1.925 -3.292 1.00 2.31 C ATOM 1266 C ASN A 514 3.670 1.946 -3.074 1.00 53.42 C ATOM 1267 O ASN A 514 2.897 1.681 -3.991 1.00 53.30 O ATOM 1268 CB ASN A 514 5.674 3.339 -3.634 1.00 13.23 C ATOM 1269 CG ASN A 514 7.186 3.443 -3.675 1.00 42.24 C ATOM 1270 OD1 ASN A 514 7.787 3.683 -2.528 1.00 50.13 O flip ATOM 1271 ND2 ASN A 514 7.809 3.300 -4.725 1.00 31.55 N flip ATOM 0 H ASN A 514 5.334 1.300 -5.290 1.00 4.24 H new ATOM 0 HA ASN A 514 5.663 1.586 -2.370 1.00 2.31 H new ATOM 0 HB2 ASN A 514 5.267 3.635 -4.601 1.00 13.23 H new ATOM 0 HB3 ASN A 514 5.285 4.041 -2.896 1.00 13.23 H new ATOM 0 HD21 ASN A 514 7.308 3.115 -5.594 1.00 31.55 H new ATOM 0 HD22 ASN A 514 8.827 3.366 -4.727 1.00 31.55 H new ATOM 1278 N ALA A 515 3.249 2.262 -1.854 1.00 34.03 N ATOM 1279 CA ALA A 515 1.826 2.444 -1.549 1.00 0.24 C ATOM 1280 C ALA A 515 1.600 3.703 -0.704 1.00 63.22 C ATOM 1281 O ALA A 515 2.349 3.974 0.236 1.00 11.24 O ATOM 1282 CB ALA A 515 1.251 1.225 -0.835 1.00 15.22 C ATOM 0 H ALA A 515 3.870 2.399 -1.056 1.00 34.03 H new ATOM 0 HA ALA A 515 1.304 2.563 -2.499 1.00 0.24 H new ATOM 0 HB1 ALA A 515 0.195 1.392 -0.623 1.00 15.22 H new ATOM 0 HB2 ALA A 515 1.359 0.346 -1.471 1.00 15.22 H new ATOM 0 HB3 ALA A 515 1.788 1.064 0.100 1.00 15.22 H new ATOM 1288 N THR A 516 0.570 4.465 -1.051 1.00 13.40 N ATOM 1289 CA THR A 516 0.219 5.693 -0.328 1.00 2.14 C ATOM 1290 C THR A 516 -1.267 5.702 0.053 1.00 40.54 C ATOM 1291 O THR A 516 -2.095 5.079 -0.616 1.00 10.42 O ATOM 1292 CB THR A 516 0.522 6.955 -1.173 1.00 50.22 C ATOM 1293 OG1 THR A 516 -0.166 6.885 -2.430 1.00 14.54 O ATOM 1294 CG2 THR A 516 2.021 7.113 -1.422 1.00 11.22 C ATOM 0 H THR A 516 -0.046 4.255 -1.836 1.00 13.40 H new ATOM 0 HA THR A 516 0.829 5.711 0.575 1.00 2.14 H new ATOM 0 HB THR A 516 0.173 7.821 -0.611 1.00 50.22 H new ATOM 0 HG1 THR A 516 0.348 7.366 -3.112 1.00 14.54 H new ATOM 0 HG21 THR A 516 2.198 8.008 -2.018 1.00 11.22 H new ATOM 0 HG22 THR A 516 2.541 7.203 -0.468 1.00 11.22 H new ATOM 0 HG23 THR A 516 2.395 6.241 -1.958 1.00 11.22 H new ATOM 1302 N VAL A 517 -1.607 6.400 1.135 1.00 12.35 N ATOM 1303 CA VAL A 517 -3.002 6.497 1.580 1.00 3.34 C ATOM 1304 C VAL A 517 -3.428 7.957 1.820 1.00 24.01 C ATOM 1305 O VAL A 517 -2.650 8.776 2.303 1.00 60.44 O ATOM 1306 CB VAL A 517 -3.246 5.651 2.857 1.00 72.24 C ATOM 1307 CG1 VAL A 517 -2.337 6.097 3.997 1.00 42.11 C ATOM 1308 CG2 VAL A 517 -4.715 5.696 3.278 1.00 42.32 C ATOM 0 H VAL A 517 -0.941 6.906 1.720 1.00 12.35 H new ATOM 0 HA VAL A 517 -3.617 6.096 0.775 1.00 3.34 H new ATOM 0 HB VAL A 517 -2.999 4.617 2.619 1.00 72.24 H new ATOM 0 HG11 VAL A 517 -2.532 5.485 4.878 1.00 42.11 H new ATOM 0 HG12 VAL A 517 -1.295 5.982 3.698 1.00 42.11 H new ATOM 0 HG13 VAL A 517 -2.534 7.143 4.231 1.00 42.11 H new ATOM 0 HG21 VAL A 517 -4.855 5.094 4.176 1.00 42.32 H new ATOM 0 HG22 VAL A 517 -5.003 6.727 3.484 1.00 42.32 H new ATOM 0 HG23 VAL A 517 -5.336 5.299 2.475 1.00 42.32 H new ATOM 1318 N ASP A 518 -4.674 8.260 1.451 1.00 24.33 N ATOM 1319 CA ASP A 518 -5.274 9.599 1.606 1.00 3.23 C ATOM 1320 C ASP A 518 -4.357 10.723 1.071 1.00 64.54 C ATOM 1321 O ASP A 518 -4.203 11.773 1.698 1.00 43.35 O ATOM 1322 CB ASP A 518 -5.651 9.860 3.077 1.00 12.25 C ATOM 1323 CG ASP A 518 -6.902 10.727 3.203 1.00 60.41 C ATOM 1324 OD1 ASP A 518 -6.999 11.758 2.496 1.00 2.42 O ATOM 1325 OD2 ASP A 518 -7.811 10.365 3.979 1.00 24.51 O ATOM 0 H ASP A 518 -5.307 7.579 1.031 1.00 24.33 H new ATOM 0 HA ASP A 518 -6.181 9.612 1.001 1.00 3.23 H new ATOM 0 HB2 ASP A 518 -5.817 8.909 3.583 1.00 12.25 H new ATOM 0 HB3 ASP A 518 -4.819 10.349 3.583 1.00 12.25 H new ATOM 1330 N GLU A 519 -3.769 10.506 -0.108 1.00 31.34 N ATOM 1331 CA GLU A 519 -2.992 11.552 -0.797 1.00 23.32 C ATOM 1332 C GLU A 519 -3.799 12.852 -0.920 1.00 32.35 C ATOM 1333 O GLU A 519 -3.241 13.948 -0.960 1.00 43.14 O ATOM 1334 CB GLU A 519 -2.561 11.100 -2.198 1.00 64.02 C ATOM 1335 CG GLU A 519 -1.624 9.900 -2.215 1.00 53.10 C ATOM 1336 CD GLU A 519 -1.054 9.640 -3.597 1.00 63.13 C ATOM 1337 OE1 GLU A 519 -1.823 9.244 -4.495 1.00 3.41 O ATOM 1338 OE2 GLU A 519 0.166 9.838 -3.793 1.00 52.33 O ATOM 0 H GLU A 519 -3.813 9.619 -0.609 1.00 31.34 H new ATOM 0 HA GLU A 519 -2.104 11.733 -0.192 1.00 23.32 H new ATOM 0 HB2 GLU A 519 -3.452 10.857 -2.778 1.00 64.02 H new ATOM 0 HB3 GLU A 519 -2.071 11.934 -2.700 1.00 64.02 H new ATOM 0 HG2 GLU A 519 -0.808 10.068 -1.512 1.00 53.10 H new ATOM 0 HG3 GLU A 519 -2.162 9.016 -1.873 1.00 53.10 H new ATOM 1345 N GLU A 520 -5.119 12.705 -1.006 1.00 13.15 N ATOM 1346 CA GLU A 520 -6.031 13.837 -1.199 1.00 34.45 C ATOM 1347 C GLU A 520 -6.044 14.765 0.030 1.00 35.22 C ATOM 1348 O GLU A 520 -6.494 15.914 -0.053 1.00 71.12 O ATOM 1349 CB GLU A 520 -7.463 13.321 -1.466 1.00 54.50 C ATOM 1350 CG GLU A 520 -7.540 11.998 -2.238 1.00 61.40 C ATOM 1351 CD GLU A 520 -6.925 12.054 -3.632 1.00 25.40 C ATOM 1352 OE1 GLU A 520 -5.684 12.042 -3.747 1.00 54.51 O ATOM 1353 OE2 GLU A 520 -7.682 12.083 -4.624 1.00 55.22 O ATOM 0 H GLU A 520 -5.589 11.802 -0.944 1.00 13.15 H new ATOM 0 HA GLU A 520 -5.676 14.408 -2.057 1.00 34.45 H new ATOM 0 HB2 GLU A 520 -7.973 13.197 -0.511 1.00 54.50 H new ATOM 0 HB3 GLU A 520 -8.010 14.082 -2.023 1.00 54.50 H new ATOM 0 HG2 GLU A 520 -7.035 11.223 -1.661 1.00 61.40 H new ATOM 0 HG3 GLU A 520 -8.585 11.701 -2.325 1.00 61.40 H new ATOM 1360 N ASN A 521 -5.549 14.257 1.163 1.00 22.25 N ATOM 1361 CA ASN A 521 -5.516 15.004 2.429 1.00 12.11 C ATOM 1362 C ASN A 521 -6.929 15.409 2.872 1.00 2.24 C ATOM 1363 O ASN A 521 -7.168 16.540 3.300 1.00 3.30 O ATOM 1364 CB ASN A 521 -4.618 16.247 2.327 1.00 2.32 C ATOM 1365 CG ASN A 521 -3.188 15.906 1.965 1.00 2.31 C ATOM 1366 OD1 ASN A 521 -2.779 16.027 0.814 1.00 64.13 O ATOM 1367 ND2 ASN A 521 -2.421 15.460 2.938 1.00 62.43 N ATOM 0 H ASN A 521 -5.159 13.317 1.231 1.00 22.25 H new ATOM 0 HA ASN A 521 -5.093 14.339 3.182 1.00 12.11 H new ATOM 0 HB2 ASN A 521 -5.027 16.925 1.578 1.00 2.32 H new ATOM 0 HB3 ASN A 521 -4.631 16.779 3.278 1.00 2.32 H new ATOM 0 HD21 ASN A 521 -1.453 15.202 2.747 1.00 62.43 H new ATOM 0 HD22 ASN A 521 -2.795 15.373 3.883 1.00 62.43 H new ATOM 1374 N THR A 522 -7.855 14.467 2.779 1.00 42.54 N ATOM 1375 CA THR A 522 -9.255 14.705 3.146 1.00 14.21 C ATOM 1376 C THR A 522 -9.410 14.946 4.652 1.00 33.10 C ATOM 1377 O THR A 522 -10.188 15.802 5.081 1.00 2.40 O ATOM 1378 CB THR A 522 -10.146 13.504 2.757 1.00 22.21 C ATOM 1379 OG1 THR A 522 -9.770 12.355 3.527 1.00 20.33 O ATOM 1380 CG2 THR A 522 -10.029 13.184 1.268 1.00 22.51 C ATOM 0 H THR A 522 -7.666 13.520 2.450 1.00 42.54 H new ATOM 0 HA THR A 522 -9.570 15.594 2.600 1.00 14.21 H new ATOM 0 HB THR A 522 -11.182 13.769 2.967 1.00 22.21 H new ATOM 0 HG1 THR A 522 -9.396 11.671 2.933 1.00 20.33 H new ATOM 0 HG21 THR A 522 -10.668 12.334 1.027 1.00 22.51 H new ATOM 0 HG22 THR A 522 -10.341 14.050 0.684 1.00 22.51 H new ATOM 0 HG23 THR A 522 -8.994 12.939 1.029 1.00 22.51 H new ATOM 1388 N VAL A 523 -8.658 14.190 5.447 1.00 32.12 N ATOM 1389 CA VAL A 523 -8.732 14.266 6.911 1.00 72.42 C ATOM 1390 C VAL A 523 -7.412 14.776 7.527 1.00 73.43 C ATOM 1391 O VAL A 523 -6.329 14.485 7.023 1.00 44.03 O ATOM 1392 CB VAL A 523 -9.093 12.883 7.514 1.00 73.25 C ATOM 1393 CG1 VAL A 523 -7.981 11.862 7.272 1.00 72.25 C ATOM 1394 CG2 VAL A 523 -9.422 13.005 8.999 1.00 32.42 C ATOM 0 H VAL A 523 -7.982 13.509 5.101 1.00 32.12 H new ATOM 0 HA VAL A 523 -9.517 14.981 7.156 1.00 72.42 H new ATOM 0 HB VAL A 523 -9.985 12.519 7.003 1.00 73.25 H new ATOM 0 HG11 VAL A 523 -8.266 10.904 7.707 1.00 72.25 H new ATOM 0 HG12 VAL A 523 -7.825 11.742 6.200 1.00 72.25 H new ATOM 0 HG13 VAL A 523 -7.059 12.212 7.736 1.00 72.25 H new ATOM 0 HG21 VAL A 523 -9.672 12.022 9.398 1.00 32.42 H new ATOM 0 HG22 VAL A 523 -8.559 13.404 9.531 1.00 32.42 H new ATOM 0 HG23 VAL A 523 -10.271 13.676 9.130 1.00 32.42 H new ATOM 1404 N VAL A 524 -7.508 15.569 8.600 1.00 63.34 N ATOM 1405 CA VAL A 524 -6.312 16.075 9.298 1.00 62.12 C ATOM 1406 C VAL A 524 -5.775 15.035 10.297 1.00 3.24 C ATOM 1407 O VAL A 524 -6.459 14.680 11.257 1.00 11.21 O ATOM 1408 CB VAL A 524 -6.614 17.395 10.054 1.00 0.04 C ATOM 1409 CG1 VAL A 524 -5.355 17.941 10.728 1.00 65.53 C ATOM 1410 CG2 VAL A 524 -7.227 18.431 9.114 1.00 54.53 C ATOM 0 H VAL A 524 -8.393 15.875 9.005 1.00 63.34 H new ATOM 0 HA VAL A 524 -5.557 16.268 8.536 1.00 62.12 H new ATOM 0 HB VAL A 524 -7.342 17.177 10.835 1.00 0.04 H new ATOM 0 HG11 VAL A 524 -5.595 18.867 11.251 1.00 65.53 H new ATOM 0 HG12 VAL A 524 -4.977 17.209 11.441 1.00 65.53 H new ATOM 0 HG13 VAL A 524 -4.594 18.137 9.973 1.00 65.53 H new ATOM 0 HG21 VAL A 524 -7.430 19.348 9.666 1.00 54.53 H new ATOM 0 HG22 VAL A 524 -6.531 18.643 8.302 1.00 54.53 H new ATOM 0 HG23 VAL A 524 -8.158 18.042 8.701 1.00 54.53 H new ATOM 1420 N GLU A 525 -4.550 14.559 10.066 1.00 65.25 N ATOM 1421 CA GLU A 525 -3.957 13.485 10.877 1.00 40.41 C ATOM 1422 C GLU A 525 -2.915 14.005 11.886 1.00 43.24 C ATOM 1423 O GLU A 525 -2.601 15.196 11.930 1.00 50.21 O ATOM 1424 CB GLU A 525 -3.289 12.461 9.956 1.00 74.45 C ATOM 1425 CG GLU A 525 -4.233 11.823 8.945 1.00 0.20 C ATOM 1426 CD GLU A 525 -3.490 10.944 7.956 1.00 64.13 C ATOM 1427 OE1 GLU A 525 -3.020 11.477 6.927 1.00 60.33 O ATOM 1428 OE2 GLU A 525 -3.343 9.734 8.222 1.00 0.42 O ATOM 0 H GLU A 525 -3.943 14.900 9.320 1.00 65.25 H new ATOM 0 HA GLU A 525 -4.767 13.029 11.446 1.00 40.41 H new ATOM 0 HB2 GLU A 525 -2.475 12.948 9.419 1.00 74.45 H new ATOM 0 HB3 GLU A 525 -2.843 11.676 10.567 1.00 74.45 H new ATOM 0 HG2 GLU A 525 -4.980 11.228 9.470 1.00 0.20 H new ATOM 0 HG3 GLU A 525 -4.769 12.604 8.406 1.00 0.20 H new ATOM 1435 N LEU A 526 -2.375 13.082 12.688 1.00 53.55 N ATOM 1436 CA LEU A 526 -1.325 13.400 13.669 1.00 0.24 C ATOM 1437 C LEU A 526 0.083 13.374 13.048 1.00 13.13 C ATOM 1438 O LEU A 526 0.929 14.213 13.367 1.00 10.42 O ATOM 1439 CB LEU A 526 -1.375 12.400 14.838 1.00 74.45 C ATOM 1440 CG LEU A 526 -2.575 12.542 15.787 1.00 41.02 C ATOM 1441 CD1 LEU A 526 -2.611 11.389 16.790 1.00 52.15 C ATOM 1442 CD2 LEU A 526 -2.530 13.885 16.516 1.00 51.44 C ATOM 0 H LEU A 526 -2.649 12.099 12.679 1.00 53.55 H new ATOM 0 HA LEU A 526 -1.519 14.412 14.025 1.00 0.24 H new ATOM 0 HB2 LEU A 526 -1.377 11.390 14.428 1.00 74.45 H new ATOM 0 HB3 LEU A 526 -0.460 12.505 15.421 1.00 74.45 H new ATOM 0 HG LEU A 526 -3.486 12.505 15.190 1.00 41.02 H new ATOM 0 HD11 LEU A 526 -3.468 11.509 17.452 1.00 52.15 H new ATOM 0 HD12 LEU A 526 -2.696 10.443 16.254 1.00 52.15 H new ATOM 0 HD13 LEU A 526 -1.694 11.391 17.380 1.00 52.15 H new ATOM 0 HD21 LEU A 526 -3.388 13.966 17.183 1.00 51.44 H new ATOM 0 HD22 LEU A 526 -1.611 13.953 17.098 1.00 51.44 H new ATOM 0 HD23 LEU A 526 -2.559 14.695 15.788 1.00 51.44 H new ATOM 1454 N ASN A 527 0.332 12.416 12.157 1.00 21.54 N ATOM 1455 CA ASN A 527 1.683 12.183 11.622 1.00 12.15 C ATOM 1456 C ASN A 527 1.771 12.472 10.108 1.00 21.01 C ATOM 1457 O ASN A 527 0.757 12.598 9.423 1.00 23.44 O ATOM 1458 CB ASN A 527 2.099 10.736 11.929 1.00 14.45 C ATOM 1459 CG ASN A 527 3.536 10.419 11.547 1.00 12.11 C ATOM 1460 OD1 ASN A 527 4.393 11.293 11.496 1.00 72.54 O ATOM 1461 ND2 ASN A 527 3.815 9.159 11.291 1.00 22.25 N ATOM 0 H ASN A 527 -0.380 11.786 11.787 1.00 21.54 H new ATOM 0 HA ASN A 527 2.370 12.876 12.107 1.00 12.15 H new ATOM 0 HB2 ASN A 527 1.965 10.547 12.994 1.00 14.45 H new ATOM 0 HB3 ASN A 527 1.433 10.056 11.399 1.00 14.45 H new ATOM 0 HD21 ASN A 527 4.766 8.888 11.042 1.00 22.25 H new ATOM 0 HD22 ASN A 527 3.080 8.453 11.342 1.00 22.25 H new ATOM 1468 N GLU A 528 3.002 12.607 9.603 1.00 2.52 N ATOM 1469 CA GLU A 528 3.250 12.863 8.174 1.00 43.41 C ATOM 1470 C GLU A 528 4.203 11.811 7.562 1.00 61.14 C ATOM 1471 O GLU A 528 4.411 11.771 6.350 1.00 13.02 O ATOM 1472 CB GLU A 528 3.847 14.274 8.015 1.00 4.31 C ATOM 1473 CG GLU A 528 4.114 14.706 6.573 1.00 55.35 C ATOM 1474 CD GLU A 528 2.848 14.813 5.736 1.00 64.44 C ATOM 1475 OE1 GLU A 528 2.125 15.823 5.874 1.00 23.50 O ATOM 1476 OE2 GLU A 528 2.576 13.898 4.928 1.00 72.31 O ATOM 0 H GLU A 528 3.850 12.543 10.165 1.00 2.52 H new ATOM 0 HA GLU A 528 2.302 12.793 7.640 1.00 43.41 H new ATOM 0 HB2 GLU A 528 3.168 14.993 8.474 1.00 4.31 H new ATOM 0 HB3 GLU A 528 4.783 14.320 8.571 1.00 4.31 H new ATOM 0 HG2 GLU A 528 4.622 15.671 6.577 1.00 55.35 H new ATOM 0 HG3 GLU A 528 4.792 13.991 6.106 1.00 55.35 H new ATOM 1483 N ASN A 529 4.772 10.948 8.402 1.00 2.45 N ATOM 1484 CA ASN A 529 5.800 9.987 7.958 1.00 74.43 C ATOM 1485 C ASN A 529 5.273 8.539 7.900 1.00 62.30 C ATOM 1486 O ASN A 529 6.057 7.589 7.847 1.00 72.12 O ATOM 1487 CB ASN A 529 6.995 10.055 8.918 1.00 50.32 C ATOM 1488 CG ASN A 529 7.568 11.455 9.056 1.00 15.23 C ATOM 1489 OD1 ASN A 529 8.014 11.850 10.127 1.00 2.04 O ATOM 1490 ND2 ASN A 529 7.588 12.212 7.977 1.00 1.22 N ATOM 0 H ASN A 529 4.544 10.889 9.394 1.00 2.45 H new ATOM 0 HA ASN A 529 6.096 10.264 6.946 1.00 74.43 H new ATOM 0 HB2 ASN A 529 6.686 9.697 9.900 1.00 50.32 H new ATOM 0 HB3 ASN A 529 7.776 9.382 8.565 1.00 50.32 H new ATOM 0 HD21 ASN A 529 7.982 13.152 8.021 1.00 1.22 H new ATOM 0 HD22 ASN A 529 7.210 11.858 7.098 1.00 1.22 H new ATOM 1497 N ASN A 530 3.954 8.371 7.902 1.00 2.42 N ATOM 1498 CA ASN A 530 3.341 7.034 7.995 1.00 34.51 C ATOM 1499 C ASN A 530 2.549 6.609 6.736 1.00 14.01 C ATOM 1500 O ASN A 530 2.294 5.418 6.540 1.00 31.42 O ATOM 1501 CB ASN A 530 2.443 6.973 9.239 1.00 3.42 C ATOM 1502 CG ASN A 530 1.492 8.158 9.348 1.00 23.02 C ATOM 1503 OD1 ASN A 530 1.771 9.248 8.853 1.00 13.22 O ATOM 1504 ND2 ASN A 530 0.384 7.970 10.027 1.00 62.43 N ATOM 0 H ASN A 530 3.284 9.137 7.841 1.00 2.42 H new ATOM 0 HA ASN A 530 4.161 6.320 8.075 1.00 34.51 H new ATOM 0 HB2 ASN A 530 1.863 6.050 9.216 1.00 3.42 H new ATOM 0 HB3 ASN A 530 3.069 6.934 10.130 1.00 3.42 H new ATOM 0 HD21 ASN A 530 -0.272 8.740 10.155 1.00 62.43 H new ATOM 0 HD22 ASN A 530 0.180 7.054 10.426 1.00 62.43 H new ATOM 1511 N ASN A 531 2.184 7.559 5.877 1.00 61.30 N ATOM 1512 CA ASN A 531 1.292 7.263 4.738 1.00 15.53 C ATOM 1513 C ASN A 531 2.041 6.830 3.464 1.00 32.03 C ATOM 1514 O ASN A 531 1.470 6.849 2.373 1.00 23.11 O ATOM 1515 CB ASN A 531 0.395 8.472 4.430 1.00 51.22 C ATOM 1516 CG ASN A 531 -0.638 8.703 5.515 1.00 11.44 C ATOM 1517 OD1 ASN A 531 -0.981 7.793 6.253 1.00 74.34 O ATOM 1518 ND2 ASN A 531 -1.174 9.900 5.592 1.00 10.01 N ATOM 0 H ASN A 531 2.484 8.532 5.939 1.00 61.30 H new ATOM 0 HA ASN A 531 0.682 6.414 5.046 1.00 15.53 H new ATOM 0 HB2 ASN A 531 1.013 9.364 4.322 1.00 51.22 H new ATOM 0 HB3 ASN A 531 -0.109 8.316 3.476 1.00 51.22 H new ATOM 0 HD21 ASN A 531 -1.899 10.091 6.283 1.00 10.01 H new ATOM 0 HD22 ASN A 531 -0.865 10.639 4.960 1.00 10.01 H new ATOM 1525 N VAL A 532 3.301 6.419 3.595 1.00 13.02 N ATOM 1526 CA VAL A 532 4.071 5.926 2.441 1.00 24.43 C ATOM 1527 C VAL A 532 4.789 4.601 2.765 1.00 72.54 C ATOM 1528 O VAL A 532 5.400 4.452 3.823 1.00 23.11 O ATOM 1529 CB VAL A 532 5.114 6.973 1.959 1.00 2.10 C ATOM 1530 CG1 VAL A 532 5.902 6.450 0.754 1.00 51.35 C ATOM 1531 CG2 VAL A 532 4.433 8.300 1.622 1.00 2.23 C ATOM 0 H VAL A 532 3.812 6.415 4.478 1.00 13.02 H new ATOM 0 HA VAL A 532 3.352 5.752 1.640 1.00 24.43 H new ATOM 0 HB VAL A 532 5.818 7.145 2.774 1.00 2.10 H new ATOM 0 HG11 VAL A 532 6.624 7.202 0.437 1.00 51.35 H new ATOM 0 HG12 VAL A 532 6.428 5.536 1.032 1.00 51.35 H new ATOM 0 HG13 VAL A 532 5.215 6.239 -0.066 1.00 51.35 H new ATOM 0 HG21 VAL A 532 5.181 9.018 1.287 1.00 2.23 H new ATOM 0 HG22 VAL A 532 3.701 8.142 0.830 1.00 2.23 H new ATOM 0 HG23 VAL A 532 3.931 8.687 2.509 1.00 2.23 H new ATOM 1541 N ALA A 533 4.698 3.636 1.850 1.00 33.01 N ATOM 1542 CA ALA A 533 5.375 2.340 2.007 1.00 54.23 C ATOM 1543 C ALA A 533 6.206 1.994 0.763 1.00 12.05 C ATOM 1544 O ALA A 533 5.792 2.273 -0.363 1.00 22.15 O ATOM 1545 CB ALA A 533 4.350 1.241 2.279 1.00 14.51 C ATOM 0 H ALA A 533 4.161 3.724 0.987 1.00 33.01 H new ATOM 0 HA ALA A 533 6.054 2.413 2.857 1.00 54.23 H new ATOM 0 HB1 ALA A 533 4.862 0.286 2.394 1.00 14.51 H new ATOM 0 HB2 ALA A 533 3.803 1.471 3.193 1.00 14.51 H new ATOM 0 HB3 ALA A 533 3.652 1.180 1.444 1.00 14.51 H new ATOM 1551 N THR A 534 7.380 1.394 0.971 1.00 31.50 N ATOM 1552 CA THR A 534 8.279 1.023 -0.137 1.00 71.13 C ATOM 1553 C THR A 534 8.729 -0.442 -0.043 1.00 54.00 C ATOM 1554 O THR A 534 9.340 -0.849 0.946 1.00 63.14 O ATOM 1555 CB THR A 534 9.542 1.922 -0.169 1.00 51.14 C ATOM 1556 OG1 THR A 534 9.169 3.296 -0.344 1.00 30.01 O ATOM 1557 CG2 THR A 534 10.491 1.509 -1.290 1.00 65.32 C ATOM 0 H THR A 534 7.736 1.152 1.896 1.00 31.50 H new ATOM 0 HA THR A 534 7.704 1.165 -1.052 1.00 71.13 H new ATOM 0 HB THR A 534 10.058 1.800 0.784 1.00 51.14 H new ATOM 0 HG1 THR A 534 8.628 3.387 -1.156 1.00 30.01 H new ATOM 0 HG21 THR A 534 11.366 2.159 -1.284 1.00 65.32 H new ATOM 0 HG22 THR A 534 10.806 0.476 -1.139 1.00 65.32 H new ATOM 0 HG23 THR A 534 9.981 1.596 -2.249 1.00 65.32 H new ATOM 1565 N PHE A 535 8.442 -1.226 -1.080 1.00 23.42 N ATOM 1566 CA PHE A 535 8.878 -2.627 -1.140 1.00 44.21 C ATOM 1567 C PHE A 535 9.745 -2.879 -2.388 1.00 73.30 C ATOM 1568 O PHE A 535 9.336 -2.583 -3.509 1.00 22.53 O ATOM 1569 CB PHE A 535 7.662 -3.566 -1.139 1.00 60.35 C ATOM 1570 CG PHE A 535 8.018 -5.022 -0.965 1.00 31.20 C ATOM 1571 CD1 PHE A 535 8.272 -5.541 0.297 1.00 1.30 C ATOM 1572 CD2 PHE A 535 8.105 -5.871 -2.059 1.00 54.31 C ATOM 1573 CE1 PHE A 535 8.604 -6.872 0.463 1.00 75.44 C ATOM 1574 CE2 PHE A 535 8.438 -7.202 -1.898 1.00 10.15 C ATOM 1575 CZ PHE A 535 8.688 -7.704 -0.636 1.00 50.43 C ATOM 0 H PHE A 535 7.909 -0.918 -1.893 1.00 23.42 H new ATOM 0 HA PHE A 535 9.482 -2.833 -0.256 1.00 44.21 H new ATOM 0 HB2 PHE A 535 6.986 -3.269 -0.338 1.00 60.35 H new ATOM 0 HB3 PHE A 535 7.119 -3.444 -2.076 1.00 60.35 H new ATOM 0 HD1 PHE A 535 8.209 -4.896 1.161 1.00 1.30 H new ATOM 0 HD2 PHE A 535 7.910 -5.486 -3.049 1.00 54.31 H new ATOM 0 HE1 PHE A 535 8.798 -7.261 1.452 1.00 75.44 H new ATOM 0 HE2 PHE A 535 8.503 -7.850 -2.759 1.00 10.15 H new ATOM 0 HZ PHE A 535 8.948 -8.744 -0.509 1.00 50.43 H new ATOM 1585 N ASP A 536 10.941 -3.425 -2.181 1.00 4.03 N ATOM 1586 CA ASP A 536 11.894 -3.661 -3.274 1.00 2.12 C ATOM 1587 C ASP A 536 11.768 -5.087 -3.843 1.00 23.31 C ATOM 1588 O ASP A 536 11.971 -6.074 -3.130 1.00 64.20 O ATOM 1589 CB ASP A 536 13.319 -3.425 -2.763 1.00 13.32 C ATOM 1590 CG ASP A 536 13.483 -2.046 -2.148 1.00 74.43 C ATOM 1591 OD1 ASP A 536 13.086 -1.860 -0.976 1.00 12.53 O ATOM 1592 OD2 ASP A 536 14.010 -1.144 -2.833 1.00 22.43 O ATOM 0 H ASP A 536 11.279 -3.715 -1.263 1.00 4.03 H new ATOM 0 HA ASP A 536 11.666 -2.965 -4.081 1.00 2.12 H new ATOM 0 HB2 ASP A 536 13.569 -4.184 -2.022 1.00 13.32 H new ATOM 0 HB3 ASP A 536 14.023 -3.540 -3.587 1.00 13.32 H new ATOM 1597 N VAL A 537 11.439 -5.190 -5.133 1.00 2.41 N ATOM 1598 CA VAL A 537 11.299 -6.494 -5.799 1.00 41.41 C ATOM 1599 C VAL A 537 12.394 -6.719 -6.859 1.00 25.12 C ATOM 1600 O VAL A 537 12.695 -5.836 -7.666 1.00 75.10 O ATOM 1601 CB VAL A 537 9.913 -6.638 -6.481 1.00 32.54 C ATOM 1602 CG1 VAL A 537 9.758 -8.024 -7.108 1.00 2.31 C ATOM 1603 CG2 VAL A 537 8.785 -6.361 -5.488 1.00 64.55 C ATOM 0 H VAL A 537 11.264 -4.389 -5.739 1.00 2.41 H new ATOM 0 HA VAL A 537 11.400 -7.245 -5.016 1.00 41.41 H new ATOM 0 HB VAL A 537 9.850 -5.897 -7.278 1.00 32.54 H new ATOM 0 HG11 VAL A 537 8.779 -8.102 -7.580 1.00 2.31 H new ATOM 0 HG12 VAL A 537 10.535 -8.173 -7.857 1.00 2.31 H new ATOM 0 HG13 VAL A 537 9.849 -8.786 -6.334 1.00 2.31 H new ATOM 0 HG21 VAL A 537 7.824 -6.468 -5.990 1.00 64.55 H new ATOM 0 HG22 VAL A 537 8.844 -7.071 -4.663 1.00 64.55 H new ATOM 0 HG23 VAL A 537 8.881 -5.346 -5.102 1.00 64.55 H new ATOM 1613 N SER A 538 12.976 -7.917 -6.851 1.00 54.40 N ATOM 1614 CA SER A 538 13.997 -8.312 -7.831 1.00 55.13 C ATOM 1615 C SER A 538 13.432 -9.350 -8.808 1.00 20.03 C ATOM 1616 O SER A 538 13.096 -10.469 -8.413 1.00 31.35 O ATOM 1617 CB SER A 538 15.223 -8.896 -7.119 1.00 13.44 C ATOM 1618 OG SER A 538 16.268 -9.186 -8.038 1.00 34.45 O ATOM 0 H SER A 538 12.757 -8.643 -6.168 1.00 54.40 H new ATOM 0 HA SER A 538 14.294 -7.423 -8.388 1.00 55.13 H new ATOM 0 HB2 SER A 538 15.581 -8.190 -6.370 1.00 13.44 H new ATOM 0 HB3 SER A 538 14.939 -9.806 -6.590 1.00 13.44 H new ATOM 0 HG SER A 538 17.036 -9.555 -7.554 1.00 34.45 H new ATOM 1624 N VAL A 539 13.317 -8.978 -10.081 1.00 11.25 N ATOM 1625 CA VAL A 539 12.754 -9.873 -11.095 1.00 64.44 C ATOM 1626 C VAL A 539 13.851 -10.514 -11.963 1.00 55.22 C ATOM 1627 O VAL A 539 14.686 -9.818 -12.549 1.00 52.44 O ATOM 1628 CB VAL A 539 11.749 -9.129 -12.007 1.00 71.24 C ATOM 1629 CG1 VAL A 539 11.080 -10.095 -12.983 1.00 61.31 C ATOM 1630 CG2 VAL A 539 10.708 -8.394 -11.165 1.00 72.23 C ATOM 0 H VAL A 539 13.605 -8.066 -10.436 1.00 11.25 H new ATOM 0 HA VAL A 539 12.230 -10.662 -10.556 1.00 64.44 H new ATOM 0 HB VAL A 539 12.298 -8.391 -12.593 1.00 71.24 H new ATOM 0 HG11 VAL A 539 10.378 -9.548 -13.613 1.00 61.31 H new ATOM 0 HG12 VAL A 539 11.839 -10.564 -13.609 1.00 61.31 H new ATOM 0 HG13 VAL A 539 10.544 -10.863 -12.425 1.00 61.31 H new ATOM 0 HG21 VAL A 539 10.009 -7.876 -11.822 1.00 72.23 H new ATOM 0 HG22 VAL A 539 10.165 -9.112 -10.550 1.00 72.23 H new ATOM 0 HG23 VAL A 539 11.206 -7.669 -10.521 1.00 72.23 H new ATOM 1640 N VAL A 540 13.835 -11.844 -12.032 1.00 51.25 N ATOM 1641 CA VAL A 540 14.791 -12.610 -12.846 1.00 63.14 C ATOM 1642 C VAL A 540 14.081 -13.362 -13.991 1.00 5.45 C ATOM 1643 O VAL A 540 12.857 -13.471 -14.009 1.00 14.41 O ATOM 1644 CB VAL A 540 15.579 -13.624 -11.977 1.00 12.40 C ATOM 1645 CG1 VAL A 540 16.429 -12.900 -10.934 1.00 2.43 C ATOM 1646 CG2 VAL A 540 14.629 -14.618 -11.309 1.00 44.23 C ATOM 0 H VAL A 540 13.163 -12.424 -11.529 1.00 51.25 H new ATOM 0 HA VAL A 540 15.488 -11.891 -13.277 1.00 63.14 H new ATOM 0 HB VAL A 540 16.249 -14.182 -12.631 1.00 12.40 H new ATOM 0 HG11 VAL A 540 16.973 -13.632 -10.336 1.00 2.43 H new ATOM 0 HG12 VAL A 540 17.139 -12.242 -11.436 1.00 2.43 H new ATOM 0 HG13 VAL A 540 15.783 -12.309 -10.285 1.00 2.43 H new ATOM 0 HG21 VAL A 540 15.203 -15.320 -10.704 1.00 44.23 H new ATOM 0 HG22 VAL A 540 13.928 -14.079 -10.672 1.00 44.23 H new ATOM 0 HG23 VAL A 540 14.078 -15.165 -12.074 1.00 44.23 H new ATOM 1656 N LEU A 541 14.856 -13.895 -14.936 1.00 32.10 N ATOM 1657 CA LEU A 541 14.293 -14.590 -16.111 1.00 62.34 C ATOM 1658 C LEU A 541 13.667 -15.959 -15.764 1.00 54.42 C ATOM 1659 O LEU A 541 13.166 -16.654 -16.651 1.00 32.32 O ATOM 1660 CB LEU A 541 15.379 -14.772 -17.187 1.00 74.53 C ATOM 1661 CG LEU A 541 15.769 -13.492 -17.946 1.00 4.30 C ATOM 1662 CD1 LEU A 541 16.966 -13.743 -18.858 1.00 20.52 C ATOM 1663 CD2 LEU A 541 14.580 -12.968 -18.751 1.00 51.13 C ATOM 0 H LEU A 541 15.875 -13.863 -14.918 1.00 32.10 H new ATOM 0 HA LEU A 541 13.489 -13.960 -16.490 1.00 62.34 H new ATOM 0 HB2 LEU A 541 16.272 -15.181 -16.714 1.00 74.53 H new ATOM 0 HB3 LEU A 541 15.033 -15.512 -17.909 1.00 74.53 H new ATOM 0 HG LEU A 541 16.055 -12.735 -17.215 1.00 4.30 H new ATOM 0 HD11 LEU A 541 17.222 -12.823 -19.384 1.00 20.52 H new ATOM 0 HD12 LEU A 541 17.817 -14.068 -18.260 1.00 20.52 H new ATOM 0 HD13 LEU A 541 16.715 -14.517 -19.583 1.00 20.52 H new ATOM 0 HD21 LEU A 541 14.871 -12.062 -19.283 1.00 51.13 H new ATOM 0 HD22 LEU A 541 14.265 -13.725 -19.469 1.00 51.13 H new ATOM 0 HD23 LEU A 541 13.754 -12.743 -18.076 1.00 51.13 H new ATOM 1675 N GLU A 542 13.679 -16.334 -14.485 1.00 33.55 N ATOM 1676 CA GLU A 542 13.170 -17.649 -14.057 1.00 73.03 C ATOM 1677 C GLU A 542 12.593 -17.617 -12.621 1.00 61.30 C ATOM 1678 O GLU A 542 13.370 -17.685 -11.640 1.00 37.06 O ATOM 1679 CB GLU A 542 14.287 -18.699 -14.195 1.00 74.05 C ATOM 1680 CG GLU A 542 15.635 -18.230 -13.662 1.00 53.52 C ATOM 1681 CD GLU A 542 16.770 -19.183 -13.987 1.00 21.12 C ATOM 1682 OE1 GLU A 542 17.036 -20.100 -13.184 1.00 22.21 O ATOM 1683 OE2 GLU A 542 17.412 -19.014 -15.044 1.00 24.02 O ATOM 0 H GLU A 542 14.033 -15.753 -13.725 1.00 33.55 H new ATOM 0 HA GLU A 542 12.340 -17.923 -14.708 1.00 73.03 H new ATOM 0 HB2 GLU A 542 13.991 -19.604 -13.664 1.00 74.05 H new ATOM 0 HB3 GLU A 542 14.395 -18.967 -15.246 1.00 74.05 H new ATOM 0 HG2 GLU A 542 15.862 -17.249 -14.079 1.00 53.52 H new ATOM 0 HG3 GLU A 542 15.569 -18.109 -12.581 1.00 53.52 H new