USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=24 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 472 SER OG : rot -115:sc= 0 USER MOD Set 1.2: A 522 THR OG1 : rot -76:sc= -0.955! USER MOD Set 2.1: A 514 ASN : amide:sc= -1.52 K(o=-2.3,f=-3.7!) USER MOD Set 2.2: A 534 THR OG1 : rot 180:sc= -0.816 USER MOD Set 3.1: A 507 GLN : amide:sc= -0.589 X(o=-1,f=-0.72) USER MOD Set 3.2: A 511 TYR OH : rot 23:sc= -0.422 USER MOD Set 4.1: A 441 THR OG1 : rot 112:sc= 0.664 USER MOD Set 4.2: A 530 ASN : amide:sc= -2.41 X(o=-1.7,f=-1.6) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 453 ASN : amide:sc= -2.83! C(o=-2.8!,f=-1.5!) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 TYR OH : rot -143:sc= 0.552 USER MOD Single : A 461 HIS : no HE2:sc= 0.522 K(o=0.53,f=-2.8!) USER MOD Single : A 463 LYS NZ :NH3+ 149:sc= 1.66 (180deg=0.111) USER MOD Single : A 464 ASN : amide:sc= -1.22 K(o=-1.2,f=-8.4!) USER MOD Single : A 473 THR OG1 : rot 93:sc= 0.0575 USER MOD Single : A 474 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.12) USER MOD Single : A 478 TYR OH : rot 19:sc= 0.99 USER MOD Single : A 480 ASN : amide:sc= 0.0794 K(o=0.079,f=-5.4!) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 TYR OH : rot 32:sc= 0.185 USER MOD Single : A 485 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0916) USER MOD Single : A 486 ASN : amide:sc= 0 X(o=0,f=-0.0099) 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+ -169:sc= 1.21 (180deg=1.04) 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 41:sc= 0.4 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 510 MET CE :methyl 138:sc= -0.346 (180deg=-1.21) USER MOD Single : A 516 THR OG1 : rot -110:sc= -0.0999 USER MOD Single : A 521 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 527 ASN : amide:sc= 0.708 K(o=0.71,f=-0.084) USER MOD Single : A 529 ASN : amide:sc= 0.0164 K(o=0.016,f=-0.97) USER MOD Single : A 531 ASN : amide:sc= -0.919 K(o=-0.92,f=-3.3!) USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PHE A 437 -6.974 13.583 16.158 1.00 4.22 N ATOM 36 CA PHE A 437 -6.287 13.441 14.868 1.00 5.30 C ATOM 37 C PHE A 437 -5.874 11.979 14.651 1.00 15.23 C ATOM 38 O PHE A 437 -5.198 11.384 15.495 1.00 34.30 O ATOM 39 CB PHE A 437 -5.050 14.349 14.789 1.00 13.11 C ATOM 40 CG PHE A 437 -5.304 15.778 15.206 1.00 12.21 C ATOM 41 CD1 PHE A 437 -5.784 16.712 14.297 1.00 32.25 C ATOM 42 CD2 PHE A 437 -5.059 16.186 16.511 1.00 23.20 C ATOM 43 CE1 PHE A 437 -6.013 18.021 14.682 1.00 63.32 C ATOM 44 CE2 PHE A 437 -5.285 17.492 16.899 1.00 32.53 C ATOM 45 CZ PHE A 437 -5.761 18.410 15.984 1.00 34.51 C ATOM 0 HA PHE A 437 -6.981 13.744 14.084 1.00 5.30 H new ATOM 0 HB2 PHE A 437 -4.266 13.932 15.421 1.00 13.11 H new ATOM 0 HB3 PHE A 437 -4.673 14.342 13.766 1.00 13.11 H new ATOM 0 HD1 PHE A 437 -5.981 16.413 13.278 1.00 32.25 H new ATOM 0 HD2 PHE A 437 -4.687 15.473 17.232 1.00 23.20 H new ATOM 0 HE1 PHE A 437 -6.388 18.738 13.966 1.00 63.32 H new ATOM 0 HE2 PHE A 437 -5.090 17.795 17.917 1.00 32.53 H new ATOM 0 HZ PHE A 437 -5.936 19.432 16.286 1.00 34.51 H new ATOM 55 N PRO A 438 -6.300 11.368 13.534 1.00 34.44 N ATOM 56 CA PRO A 438 -5.977 9.976 13.227 1.00 74.11 C ATOM 57 C PRO A 438 -4.569 9.782 12.640 1.00 33.30 C ATOM 58 O PRO A 438 -3.828 10.740 12.403 1.00 2.13 O ATOM 59 CB PRO A 438 -7.055 9.572 12.220 1.00 20.01 C ATOM 60 CG PRO A 438 -7.492 10.841 11.562 1.00 41.04 C ATOM 61 CD PRO A 438 -7.137 11.984 12.488 1.00 31.13 C ATOM 0 HA PRO A 438 -5.966 9.365 14.129 1.00 74.11 H new ATOM 0 HB2 PRO A 438 -6.662 8.867 11.488 1.00 20.01 H new ATOM 0 HB3 PRO A 438 -7.891 9.081 12.718 1.00 20.01 H new ATOM 0 HG2 PRO A 438 -6.998 10.962 10.598 1.00 41.04 H new ATOM 0 HG3 PRO A 438 -8.565 10.823 11.370 1.00 41.04 H new ATOM 0 HD2 PRO A 438 -6.597 12.769 11.959 1.00 31.13 H new ATOM 0 HD3 PRO A 438 -8.030 12.442 12.913 1.00 31.13 H new ATOM 69 N ASP A 439 -4.203 8.520 12.449 1.00 32.52 N ATOM 70 CA ASP A 439 -2.892 8.152 11.917 1.00 43.21 C ATOM 71 C ASP A 439 -3.014 6.860 11.086 1.00 24.21 C ATOM 72 O ASP A 439 -2.990 5.751 11.628 1.00 61.51 O ATOM 73 CB ASP A 439 -1.905 7.977 13.083 1.00 15.30 C ATOM 74 CG ASP A 439 -0.479 7.696 12.637 1.00 32.23 C ATOM 75 OD1 ASP A 439 0.123 8.558 11.961 1.00 62.14 O ATOM 76 OD2 ASP A 439 0.055 6.619 12.978 1.00 23.34 O ATOM 0 H ASP A 439 -4.804 7.723 12.657 1.00 32.52 H new ATOM 0 HA ASP A 439 -2.517 8.939 11.262 1.00 43.21 H new ATOM 0 HB2 ASP A 439 -1.914 8.879 13.694 1.00 15.30 H new ATOM 0 HB3 ASP A 439 -2.246 7.159 13.717 1.00 15.30 H new ATOM 81 N LEU A 440 -3.206 7.018 9.776 1.00 13.31 N ATOM 82 CA LEU A 440 -3.403 5.885 8.862 1.00 52.05 C ATOM 83 C LEU A 440 -2.071 5.411 8.264 1.00 13.43 C ATOM 84 O LEU A 440 -1.456 6.103 7.457 1.00 71.31 O ATOM 85 CB LEU A 440 -4.362 6.286 7.723 1.00 54.04 C ATOM 86 CG LEU A 440 -5.772 6.725 8.156 1.00 41.23 C ATOM 87 CD1 LEU A 440 -6.552 7.281 6.965 1.00 74.35 C ATOM 88 CD2 LEU A 440 -6.524 5.562 8.798 1.00 71.33 C ATOM 0 H LEU A 440 -3.230 7.929 9.317 1.00 13.31 H new ATOM 0 HA LEU A 440 -3.834 5.065 9.436 1.00 52.05 H new ATOM 0 HB2 LEU A 440 -3.906 7.100 7.160 1.00 54.04 H new ATOM 0 HB3 LEU A 440 -4.459 5.441 7.041 1.00 54.04 H new ATOM 0 HG LEU A 440 -5.671 7.517 8.898 1.00 41.23 H new ATOM 0 HD11 LEU A 440 -7.546 7.586 7.292 1.00 74.35 H new ATOM 0 HD12 LEU A 440 -6.025 8.142 6.555 1.00 74.35 H new ATOM 0 HD13 LEU A 440 -6.642 6.512 6.198 1.00 74.35 H new ATOM 0 HD21 LEU A 440 -7.519 5.893 9.097 1.00 71.33 H new ATOM 0 HD22 LEU A 440 -6.613 4.746 8.081 1.00 71.33 H new ATOM 0 HD23 LEU A 440 -5.978 5.215 9.675 1.00 71.33 H new ATOM 100 N THR A 441 -1.636 4.214 8.642 1.00 44.32 N ATOM 101 CA THR A 441 -0.366 3.673 8.138 1.00 72.45 C ATOM 102 C THR A 441 -0.594 2.435 7.268 1.00 21.03 C ATOM 103 O THR A 441 -1.545 1.672 7.477 1.00 62.04 O ATOM 104 CB THR A 441 0.612 3.316 9.286 1.00 24.35 C ATOM 105 OG1 THR A 441 1.867 2.869 8.752 1.00 11.22 O ATOM 106 CG2 THR A 441 0.032 2.244 10.201 1.00 53.03 C ATOM 0 H THR A 441 -2.133 3.601 9.288 1.00 44.32 H new ATOM 0 HA THR A 441 0.083 4.461 7.533 1.00 72.45 H new ATOM 0 HB THR A 441 0.770 4.219 9.876 1.00 24.35 H new ATOM 0 HG1 THR A 441 2.563 3.528 8.957 1.00 11.22 H new ATOM 0 HG21 THR A 441 0.745 2.018 10.994 1.00 53.03 H new ATOM 0 HG22 THR A 441 -0.898 2.605 10.640 1.00 53.03 H new ATOM 0 HG23 THR A 441 -0.166 1.341 9.624 1.00 53.03 H new ATOM 114 N VAL A 442 0.274 2.247 6.282 1.00 62.10 N ATOM 115 CA VAL A 442 0.171 1.114 5.362 1.00 25.32 C ATOM 116 C VAL A 442 1.449 0.263 5.389 1.00 62.25 C ATOM 117 O VAL A 442 2.547 0.776 5.610 1.00 14.23 O ATOM 118 CB VAL A 442 -0.109 1.597 3.914 1.00 14.22 C ATOM 119 CG1 VAL A 442 -1.429 2.368 3.843 1.00 65.54 C ATOM 120 CG2 VAL A 442 1.038 2.460 3.393 1.00 20.41 C ATOM 0 H VAL A 442 1.063 2.867 6.096 1.00 62.10 H new ATOM 0 HA VAL A 442 -0.665 0.499 5.694 1.00 25.32 H new ATOM 0 HB VAL A 442 -0.189 0.715 3.279 1.00 14.22 H new ATOM 0 HG11 VAL A 442 -1.604 2.696 2.818 1.00 65.54 H new ATOM 0 HG12 VAL A 442 -2.246 1.720 4.161 1.00 65.54 H new ATOM 0 HG13 VAL A 442 -1.379 3.237 4.499 1.00 65.54 H new ATOM 0 HG21 VAL A 442 0.816 2.785 2.377 1.00 20.41 H new ATOM 0 HG22 VAL A 442 1.157 3.333 4.035 1.00 20.41 H new ATOM 0 HG23 VAL A 442 1.960 1.879 3.395 1.00 20.41 H new ATOM 130 N GLU A 443 1.297 -1.038 5.172 1.00 14.03 N ATOM 131 CA GLU A 443 2.432 -1.971 5.173 1.00 63.25 C ATOM 132 C GLU A 443 2.384 -2.879 3.938 1.00 5.32 C ATOM 133 O GLU A 443 1.311 -3.334 3.541 1.00 10.20 O ATOM 134 CB GLU A 443 2.404 -2.832 6.446 1.00 54.04 C ATOM 135 CG GLU A 443 2.345 -2.028 7.744 1.00 33.01 C ATOM 136 CD GLU A 443 2.151 -2.902 8.976 1.00 44.23 C ATOM 137 OE1 GLU A 443 1.041 -3.443 9.158 1.00 10.12 O ATOM 138 OE2 GLU A 443 3.103 -3.047 9.773 1.00 43.22 O ATOM 0 H GLU A 443 0.395 -1.479 4.991 1.00 14.03 H new ATOM 0 HA GLU A 443 3.354 -1.391 5.148 1.00 63.25 H new ATOM 0 HB2 GLU A 443 1.541 -3.496 6.403 1.00 54.04 H new ATOM 0 HB3 GLU A 443 3.292 -3.464 6.463 1.00 54.04 H new ATOM 0 HG2 GLU A 443 3.266 -1.455 7.853 1.00 33.01 H new ATOM 0 HG3 GLU A 443 1.528 -1.309 7.683 1.00 33.01 H new ATOM 145 N ILE A 444 3.537 -3.145 3.330 1.00 31.13 N ATOM 146 CA ILE A 444 3.597 -4.017 2.147 1.00 71.52 C ATOM 147 C ILE A 444 4.368 -5.311 2.444 1.00 50.44 C ATOM 148 O ILE A 444 5.454 -5.281 3.021 1.00 5.12 O ATOM 149 CB ILE A 444 4.254 -3.300 0.938 1.00 2.43 C ATOM 150 CG1 ILE A 444 3.517 -1.985 0.624 1.00 30.51 C ATOM 151 CG2 ILE A 444 4.259 -4.219 -0.290 1.00 55.44 C ATOM 152 CD1 ILE A 444 4.117 -1.208 -0.531 1.00 61.41 C ATOM 0 H ILE A 444 4.439 -2.775 3.629 1.00 31.13 H new ATOM 0 HA ILE A 444 2.566 -4.264 1.892 1.00 71.52 H new ATOM 0 HB ILE A 444 5.286 -3.062 1.197 1.00 2.43 H new ATOM 0 HG12 ILE A 444 2.475 -2.209 0.397 1.00 30.51 H new ATOM 0 HG13 ILE A 444 3.521 -1.356 1.514 1.00 30.51 H new ATOM 0 HG21 ILE A 444 4.723 -3.702 -1.130 1.00 55.44 H new ATOM 0 HG22 ILE A 444 4.823 -5.124 -0.065 1.00 55.44 H new ATOM 0 HG23 ILE A 444 3.234 -4.485 -0.549 1.00 55.44 H new ATOM 0 HD11 ILE A 444 3.544 -0.295 -0.692 1.00 61.41 H new ATOM 0 HD12 ILE A 444 5.151 -0.952 -0.299 1.00 61.41 H new ATOM 0 HD13 ILE A 444 4.088 -1.818 -1.434 1.00 61.41 H new ATOM 164 N LYS A 445 3.796 -6.445 2.047 1.00 32.54 N ATOM 165 CA LYS A 445 4.427 -7.752 2.261 1.00 51.04 C ATOM 166 C LYS A 445 4.341 -8.627 1.000 1.00 0.13 C ATOM 167 O LYS A 445 3.374 -8.543 0.242 1.00 61.11 O ATOM 168 CB LYS A 445 3.757 -8.470 3.442 1.00 44.13 C ATOM 169 CG LYS A 445 4.412 -9.801 3.803 1.00 44.43 C ATOM 170 CD LYS A 445 3.740 -10.458 5.004 1.00 44.41 C ATOM 171 CE LYS A 445 4.388 -11.795 5.348 1.00 13.03 C ATOM 172 NZ LYS A 445 3.742 -12.441 6.520 1.00 5.22 N ATOM 0 H LYS A 445 2.894 -6.489 1.573 1.00 32.54 H new ATOM 0 HA LYS A 445 5.480 -7.586 2.486 1.00 51.04 H new ATOM 0 HB2 LYS A 445 3.780 -7.816 4.314 1.00 44.13 H new ATOM 0 HB3 LYS A 445 2.708 -8.645 3.202 1.00 44.13 H new ATOM 0 HG2 LYS A 445 4.363 -10.474 2.947 1.00 44.43 H new ATOM 0 HG3 LYS A 445 5.468 -9.639 4.021 1.00 44.43 H new ATOM 0 HD2 LYS A 445 3.800 -9.792 5.865 1.00 44.41 H new ATOM 0 HD3 LYS A 445 2.682 -10.610 4.792 1.00 44.41 H new ATOM 0 HE2 LYS A 445 4.325 -12.460 4.487 1.00 13.03 H new ATOM 0 HE3 LYS A 445 5.447 -11.642 5.556 1.00 13.03 H new ATOM 0 HZ1 LYS A 445 4.212 -13.347 6.720 1.00 5.22 H new ATOM 0 HZ2 LYS A 445 3.824 -11.818 7.349 1.00 5.22 H new ATOM 0 HZ3 LYS A 445 2.737 -12.611 6.313 1.00 5.22 H new ATOM 186 N GLY A 446 5.356 -9.463 0.779 1.00 3.31 N ATOM 187 CA GLY A 446 5.352 -10.364 -0.371 1.00 62.31 C ATOM 188 C GLY A 446 6.748 -10.855 -0.753 1.00 60.43 C ATOM 189 O GLY A 446 7.714 -10.595 -0.038 1.00 30.13 O ATOM 0 H GLY A 446 6.182 -9.534 1.374 1.00 3.31 H new ATOM 0 HA2 GLY A 446 4.719 -11.223 -0.149 1.00 62.31 H new ATOM 0 HA3 GLY A 446 4.907 -9.852 -1.224 1.00 62.31 H new ATOM 193 N PRO A 447 6.881 -11.581 -1.880 1.00 64.22 N ATOM 194 CA PRO A 447 8.182 -12.100 -2.343 1.00 33.21 C ATOM 195 C PRO A 447 9.142 -10.995 -2.828 1.00 31.21 C ATOM 196 O PRO A 447 8.776 -10.153 -3.652 1.00 74.13 O ATOM 197 CB PRO A 447 7.797 -13.033 -3.503 1.00 10.11 C ATOM 198 CG PRO A 447 6.488 -12.510 -3.994 1.00 13.10 C ATOM 199 CD PRO A 447 5.777 -11.966 -2.782 1.00 72.51 C ATOM 0 HA PRO A 447 8.726 -12.593 -1.537 1.00 33.21 H new ATOM 0 HB2 PRO A 447 8.550 -13.016 -4.291 1.00 10.11 H new ATOM 0 HB3 PRO A 447 7.709 -14.066 -3.167 1.00 10.11 H new ATOM 0 HG2 PRO A 447 6.635 -11.731 -4.742 1.00 13.10 H new ATOM 0 HG3 PRO A 447 5.905 -13.300 -4.467 1.00 13.10 H new ATOM 0 HD2 PRO A 447 5.149 -11.112 -3.035 1.00 72.51 H new ATOM 0 HD3 PRO A 447 5.129 -12.715 -2.327 1.00 72.51 H new ATOM 207 N ASP A 448 10.377 -11.017 -2.316 1.00 64.42 N ATOM 208 CA ASP A 448 11.400 -10.032 -2.692 1.00 12.24 C ATOM 209 C ASP A 448 11.915 -10.273 -4.118 1.00 14.01 C ATOM 210 O ASP A 448 12.121 -9.333 -4.886 1.00 15.30 O ATOM 211 CB ASP A 448 12.575 -10.095 -1.709 1.00 11.10 C ATOM 212 CG ASP A 448 12.131 -9.933 -0.267 1.00 70.44 C ATOM 213 OD1 ASP A 448 11.787 -10.952 0.372 1.00 32.12 O ATOM 214 OD2 ASP A 448 12.127 -8.791 0.237 1.00 33.31 O ATOM 0 H ASP A 448 10.695 -11.709 -1.637 1.00 64.42 H new ATOM 0 HA ASP A 448 10.939 -9.045 -2.656 1.00 12.24 H new ATOM 0 HB2 ASP A 448 13.090 -11.049 -1.823 1.00 11.10 H new ATOM 0 HB3 ASP A 448 13.294 -9.313 -1.955 1.00 11.10 H new ATOM 219 N VAL A 449 12.133 -11.538 -4.460 1.00 44.41 N ATOM 220 CA VAL A 449 12.632 -11.912 -5.790 1.00 21.43 C ATOM 221 C VAL A 449 11.611 -12.778 -6.540 1.00 21.14 C ATOM 222 O VAL A 449 11.110 -13.771 -6.004 1.00 72.40 O ATOM 223 CB VAL A 449 13.980 -12.676 -5.693 1.00 4.44 C ATOM 224 CG1 VAL A 449 14.507 -13.046 -7.080 1.00 15.22 C ATOM 225 CG2 VAL A 449 15.013 -11.854 -4.923 1.00 2.34 C ATOM 0 H VAL A 449 11.973 -12.329 -3.836 1.00 44.41 H new ATOM 0 HA VAL A 449 12.790 -10.986 -6.343 1.00 21.43 H new ATOM 0 HB VAL A 449 13.801 -13.602 -5.146 1.00 4.44 H new ATOM 0 HG11 VAL A 449 15.452 -13.580 -6.980 1.00 15.22 H new ATOM 0 HG12 VAL A 449 13.782 -13.683 -7.587 1.00 15.22 H new ATOM 0 HG13 VAL A 449 14.663 -12.139 -7.664 1.00 15.22 H new ATOM 0 HG21 VAL A 449 15.950 -12.408 -4.867 1.00 2.34 H new ATOM 0 HG22 VAL A 449 15.181 -10.908 -5.437 1.00 2.34 H new ATOM 0 HG23 VAL A 449 14.645 -11.660 -3.915 1.00 2.34 H new ATOM 235 N VAL A 450 11.304 -12.398 -7.780 1.00 50.54 N ATOM 236 CA VAL A 450 10.329 -13.127 -8.604 1.00 33.34 C ATOM 237 C VAL A 450 10.882 -13.415 -10.009 1.00 73.02 C ATOM 238 O VAL A 450 11.862 -12.800 -10.444 1.00 13.54 O ATOM 239 CB VAL A 450 8.994 -12.345 -8.730 1.00 41.54 C ATOM 240 CG1 VAL A 450 8.350 -12.146 -7.359 1.00 51.23 C ATOM 241 CG2 VAL A 450 9.215 -11.002 -9.426 1.00 64.53 C ATOM 0 H VAL A 450 11.716 -11.587 -8.241 1.00 50.54 H new ATOM 0 HA VAL A 450 10.139 -14.073 -8.098 1.00 33.34 H new ATOM 0 HB VAL A 450 8.312 -12.936 -9.342 1.00 41.54 H new ATOM 0 HG11 VAL A 450 7.416 -11.596 -7.472 1.00 51.23 H new ATOM 0 HG12 VAL A 450 8.147 -13.117 -6.908 1.00 51.23 H new ATOM 0 HG13 VAL A 450 9.027 -11.583 -6.717 1.00 51.23 H new ATOM 0 HG21 VAL A 450 8.266 -10.472 -9.503 1.00 64.53 H new ATOM 0 HG22 VAL A 450 9.919 -10.404 -8.847 1.00 64.53 H new ATOM 0 HG23 VAL A 450 9.618 -11.172 -10.424 1.00 64.53 H new ATOM 251 N GLY A 451 10.249 -14.349 -10.712 1.00 4.22 N ATOM 252 CA GLY A 451 10.680 -14.706 -12.059 1.00 3.22 C ATOM 253 C GLY A 451 9.951 -13.922 -13.145 1.00 33.15 C ATOM 254 O GLY A 451 8.817 -13.476 -12.953 1.00 74.55 O ATOM 0 H GLY A 451 9.440 -14.870 -10.373 1.00 4.22 H new ATOM 0 HA2 GLY A 451 11.752 -14.531 -12.150 1.00 3.22 H new ATOM 0 HA3 GLY A 451 10.516 -15.772 -12.216 1.00 3.22 H new ATOM 258 N VAL A 452 10.602 -13.755 -14.292 1.00 33.21 N ATOM 259 CA VAL A 452 10.013 -13.029 -15.418 1.00 43.32 C ATOM 260 C VAL A 452 8.809 -13.787 -16.021 1.00 15.31 C ATOM 261 O VAL A 452 8.852 -15.004 -16.202 1.00 53.05 O ATOM 262 CB VAL A 452 11.078 -12.755 -16.515 1.00 23.30 C ATOM 263 CG1 VAL A 452 11.563 -14.051 -17.163 1.00 3.51 C ATOM 264 CG2 VAL A 452 10.550 -11.778 -17.562 1.00 3.24 C ATOM 0 H VAL A 452 11.541 -14.113 -14.469 1.00 33.21 H new ATOM 0 HA VAL A 452 9.650 -12.076 -15.033 1.00 43.32 H new ATOM 0 HB VAL A 452 11.937 -12.292 -16.029 1.00 23.30 H new ATOM 0 HG11 VAL A 452 12.307 -13.820 -17.925 1.00 3.51 H new ATOM 0 HG12 VAL A 452 12.009 -14.693 -16.403 1.00 3.51 H new ATOM 0 HG13 VAL A 452 10.719 -14.566 -17.623 1.00 3.51 H new ATOM 0 HG21 VAL A 452 11.317 -11.605 -18.317 1.00 3.24 H new ATOM 0 HG22 VAL A 452 9.662 -12.197 -18.036 1.00 3.24 H new ATOM 0 HG23 VAL A 452 10.294 -10.834 -17.082 1.00 3.24 H new ATOM 274 N ASN A 453 7.738 -13.048 -16.320 1.00 51.12 N ATOM 275 CA ASN A 453 6.484 -13.618 -16.846 1.00 70.14 C ATOM 276 C ASN A 453 5.789 -14.542 -15.827 1.00 75.50 C ATOM 277 O ASN A 453 4.915 -15.331 -16.192 1.00 32.32 O ATOM 278 CB ASN A 453 6.723 -14.380 -18.161 1.00 71.24 C ATOM 279 CG ASN A 453 7.280 -13.493 -19.259 1.00 62.35 C ATOM 280 OD1 ASN A 453 6.537 -12.836 -19.982 1.00 2.22 O ATOM 281 ND2 ASN A 453 8.587 -13.474 -19.404 1.00 51.54 N ATOM 0 H ASN A 453 7.711 -12.035 -16.206 1.00 51.12 H new ATOM 0 HA ASN A 453 5.823 -12.774 -17.041 1.00 70.14 H new ATOM 0 HB2 ASN A 453 7.414 -15.203 -17.979 1.00 71.24 H new ATOM 0 HB3 ASN A 453 5.784 -14.821 -18.497 1.00 71.24 H new ATOM 0 HD21 ASN A 453 9.011 -12.901 -20.134 1.00 51.54 H new ATOM 0 HD22 ASN A 453 9.177 -14.032 -18.786 1.00 51.54 H new ATOM 288 N LYS A 454 6.160 -14.436 -14.551 1.00 4.42 N ATOM 289 CA LYS A 454 5.553 -15.262 -13.497 1.00 52.00 C ATOM 290 C LYS A 454 4.557 -14.458 -12.646 1.00 41.50 C ATOM 291 O LYS A 454 4.510 -13.231 -12.712 1.00 51.43 O ATOM 292 CB LYS A 454 6.639 -15.874 -12.601 1.00 70.55 C ATOM 293 CG LYS A 454 7.660 -16.722 -13.361 1.00 13.35 C ATOM 294 CD LYS A 454 6.998 -17.834 -14.179 1.00 41.23 C ATOM 295 CE LYS A 454 6.214 -18.807 -13.304 1.00 11.35 C ATOM 296 NZ LYS A 454 5.634 -19.921 -14.101 1.00 62.20 N ATOM 0 H LYS A 454 6.876 -13.789 -14.219 1.00 4.42 H new ATOM 0 HA LYS A 454 5.001 -16.064 -13.988 1.00 52.00 H new ATOM 0 HB2 LYS A 454 7.162 -15.072 -12.081 1.00 70.55 H new ATOM 0 HB3 LYS A 454 6.163 -16.491 -11.839 1.00 70.55 H new ATOM 0 HG2 LYS A 454 8.239 -16.081 -14.026 1.00 13.35 H new ATOM 0 HG3 LYS A 454 8.361 -17.163 -12.653 1.00 13.35 H new ATOM 0 HD2 LYS A 454 6.328 -17.391 -14.916 1.00 41.23 H new ATOM 0 HD3 LYS A 454 7.763 -18.380 -14.731 1.00 41.23 H new ATOM 0 HE2 LYS A 454 6.870 -19.214 -12.534 1.00 11.35 H new ATOM 0 HE3 LYS A 454 5.415 -18.272 -12.791 1.00 11.35 H new ATOM 0 HZ1 LYS A 454 5.109 -20.561 -13.472 1.00 62.20 H new ATOM 0 HZ2 LYS A 454 4.989 -19.535 -14.819 1.00 62.20 H new ATOM 0 HZ3 LYS A 454 6.399 -20.447 -14.570 1.00 62.20 H new ATOM 310 N LEU A 455 3.762 -15.165 -11.843 1.00 30.01 N ATOM 311 CA LEU A 455 2.722 -14.535 -11.022 1.00 21.12 C ATOM 312 C LEU A 455 3.181 -14.369 -9.565 1.00 72.43 C ATOM 313 O LEU A 455 3.688 -15.311 -8.953 1.00 2.13 O ATOM 314 CB LEU A 455 1.442 -15.384 -11.069 1.00 51.51 C ATOM 315 CG LEU A 455 0.201 -14.741 -10.435 1.00 71.43 C ATOM 316 CD1 LEU A 455 -0.197 -13.487 -11.205 1.00 34.45 C ATOM 317 CD2 LEU A 455 -0.956 -15.738 -10.382 1.00 2.40 C ATOM 0 H LEU A 455 3.817 -16.178 -11.742 1.00 30.01 H new ATOM 0 HA LEU A 455 2.524 -13.543 -11.428 1.00 21.12 H new ATOM 0 HB2 LEU A 455 1.218 -15.616 -12.110 1.00 51.51 H new ATOM 0 HB3 LEU A 455 1.636 -16.331 -10.566 1.00 51.51 H new ATOM 0 HG LEU A 455 0.444 -14.453 -9.412 1.00 71.43 H new ATOM 0 HD11 LEU A 455 -1.079 -13.042 -10.744 1.00 34.45 H new ATOM 0 HD12 LEU A 455 0.625 -12.771 -11.184 1.00 34.45 H new ATOM 0 HD13 LEU A 455 -0.422 -13.751 -12.238 1.00 34.45 H new ATOM 0 HD21 LEU A 455 -1.826 -15.262 -9.929 1.00 2.40 H new ATOM 0 HD22 LEU A 455 -1.204 -16.061 -11.393 1.00 2.40 H new ATOM 0 HD23 LEU A 455 -0.664 -16.603 -9.786 1.00 2.40 H new ATOM 329 N ALA A 456 3.004 -13.172 -9.013 1.00 74.12 N ATOM 330 CA ALA A 456 3.364 -12.905 -7.615 1.00 25.53 C ATOM 331 C ALA A 456 2.218 -12.216 -6.851 1.00 71.40 C ATOM 332 O ALA A 456 1.629 -11.253 -7.334 1.00 52.34 O ATOM 333 CB ALA A 456 4.625 -12.048 -7.562 1.00 3.42 C ATOM 0 H ALA A 456 2.614 -12.370 -9.508 1.00 74.12 H new ATOM 0 HA ALA A 456 3.552 -13.862 -7.128 1.00 25.53 H new ATOM 0 HB1 ALA A 456 4.888 -11.852 -6.523 1.00 3.42 H new ATOM 0 HB2 ALA A 456 5.444 -12.575 -8.051 1.00 3.42 H new ATOM 0 HB3 ALA A 456 4.445 -11.103 -8.075 1.00 3.42 H new ATOM 339 N GLU A 457 1.905 -12.722 -5.656 1.00 41.22 N ATOM 340 CA GLU A 457 0.867 -12.125 -4.795 1.00 23.43 C ATOM 341 C GLU A 457 1.491 -11.327 -3.642 1.00 73.11 C ATOM 342 O GLU A 457 2.433 -11.784 -2.995 1.00 41.04 O ATOM 343 CB GLU A 457 -0.054 -13.216 -4.222 1.00 23.01 C ATOM 344 CG GLU A 457 -0.997 -13.837 -5.244 1.00 74.44 C ATOM 345 CD GLU A 457 -1.741 -15.049 -4.699 1.00 1.30 C ATOM 346 OE1 GLU A 457 -1.080 -15.958 -4.148 1.00 65.13 O ATOM 347 OE2 GLU A 457 -2.981 -15.105 -4.829 1.00 44.54 O ATOM 0 H GLU A 457 2.354 -13.546 -5.257 1.00 41.22 H new ATOM 0 HA GLU A 457 0.281 -11.445 -5.413 1.00 23.43 H new ATOM 0 HB2 GLU A 457 0.561 -14.003 -3.787 1.00 23.01 H new ATOM 0 HB3 GLU A 457 -0.645 -12.788 -3.412 1.00 23.01 H new ATOM 0 HG2 GLU A 457 -1.720 -13.088 -5.567 1.00 74.44 H new ATOM 0 HG3 GLU A 457 -0.427 -14.132 -6.125 1.00 74.44 H new ATOM 354 N TYR A 458 0.956 -10.137 -3.388 1.00 21.43 N ATOM 355 CA TYR A 458 1.422 -9.289 -2.283 1.00 73.25 C ATOM 356 C TYR A 458 0.253 -8.894 -1.363 1.00 11.43 C ATOM 357 O TYR A 458 -0.914 -8.969 -1.760 1.00 5.22 O ATOM 358 CB TYR A 458 2.105 -8.025 -2.834 1.00 71.22 C ATOM 359 CG TYR A 458 3.392 -8.293 -3.598 1.00 10.52 C ATOM 360 CD1 TYR A 458 3.369 -8.744 -4.915 1.00 72.22 C ATOM 361 CD2 TYR A 458 4.634 -8.092 -3.002 1.00 21.45 C ATOM 362 CE1 TYR A 458 4.539 -8.989 -5.609 1.00 40.30 C ATOM 363 CE2 TYR A 458 5.806 -8.333 -3.690 1.00 65.34 C ATOM 364 CZ TYR A 458 5.756 -8.784 -4.991 1.00 44.41 C ATOM 365 OH TYR A 458 6.923 -9.028 -5.676 1.00 44.24 O ATOM 0 H TYR A 458 0.195 -9.731 -3.933 1.00 21.43 H new ATOM 0 HA TYR A 458 2.144 -9.860 -1.699 1.00 73.25 H new ATOM 0 HB2 TYR A 458 1.407 -7.506 -3.491 1.00 71.22 H new ATOM 0 HB3 TYR A 458 2.322 -7.352 -2.004 1.00 71.22 H new ATOM 0 HD1 TYR A 458 2.419 -8.905 -5.403 1.00 72.22 H new ATOM 0 HD2 TYR A 458 4.681 -7.741 -1.982 1.00 21.45 H new ATOM 0 HE1 TYR A 458 4.501 -9.339 -6.630 1.00 40.30 H new ATOM 0 HE2 TYR A 458 6.759 -8.169 -3.210 1.00 65.34 H new ATOM 0 HH TYR A 458 7.589 -9.404 -5.064 1.00 44.24 H new ATOM 375 N GLU A 459 0.572 -8.459 -0.144 1.00 60.23 N ATOM 376 CA GLU A 459 -0.445 -8.012 0.820 1.00 60.40 C ATOM 377 C GLU A 459 -0.227 -6.550 1.218 1.00 72.24 C ATOM 378 O GLU A 459 0.873 -6.163 1.625 1.00 51.22 O ATOM 379 CB GLU A 459 -0.420 -8.852 2.110 1.00 12.44 C ATOM 380 CG GLU A 459 -0.757 -10.331 1.945 1.00 61.22 C ATOM 381 CD GLU A 459 -0.905 -11.032 3.293 1.00 53.53 C ATOM 382 OE1 GLU A 459 0.025 -10.938 4.125 1.00 61.24 O ATOM 383 OE2 GLU A 459 -1.962 -11.654 3.545 1.00 74.41 O ATOM 0 H GLU A 459 1.529 -8.405 0.204 1.00 60.23 H new ATOM 0 HA GLU A 459 -1.406 -8.131 0.320 1.00 60.40 H new ATOM 0 HB2 GLU A 459 0.572 -8.772 2.554 1.00 12.44 H new ATOM 0 HB3 GLU A 459 -1.123 -8.415 2.819 1.00 12.44 H new ATOM 0 HG2 GLU A 459 -1.683 -10.432 1.379 1.00 61.22 H new ATOM 0 HG3 GLU A 459 0.026 -10.820 1.365 1.00 61.22 H new ATOM 390 N VAL A 460 -1.276 -5.742 1.104 1.00 3.13 N ATOM 391 CA VAL A 460 -1.263 -4.378 1.631 1.00 73.21 C ATOM 392 C VAL A 460 -2.046 -4.317 2.951 1.00 44.51 C ATOM 393 O VAL A 460 -3.260 -4.513 2.976 1.00 42.53 O ATOM 394 CB VAL A 460 -1.881 -3.371 0.624 1.00 72.02 C ATOM 395 CG1 VAL A 460 -1.806 -1.942 1.165 1.00 22.52 C ATOM 396 CG2 VAL A 460 -1.195 -3.472 -0.737 1.00 75.33 C ATOM 0 H VAL A 460 -2.150 -6.008 0.650 1.00 3.13 H new ATOM 0 HA VAL A 460 -0.223 -4.101 1.801 1.00 73.21 H new ATOM 0 HB VAL A 460 -2.932 -3.628 0.493 1.00 72.02 H new ATOM 0 HG11 VAL A 460 -2.245 -1.255 0.441 1.00 22.52 H new ATOM 0 HG12 VAL A 460 -2.355 -1.879 2.104 1.00 22.52 H new ATOM 0 HG13 VAL A 460 -0.764 -1.672 1.335 1.00 22.52 H new ATOM 0 HG21 VAL A 460 -1.645 -2.757 -1.425 1.00 75.33 H new ATOM 0 HG22 VAL A 460 -0.133 -3.250 -0.627 1.00 75.33 H new ATOM 0 HG23 VAL A 460 -1.316 -4.481 -1.131 1.00 75.33 H new ATOM 406 N HIS A 461 -1.341 -4.060 4.045 1.00 34.31 N ATOM 407 CA HIS A 461 -1.966 -3.939 5.364 1.00 43.33 C ATOM 408 C HIS A 461 -2.231 -2.468 5.710 1.00 10.33 C ATOM 409 O HIS A 461 -1.307 -1.717 6.017 1.00 10.24 O ATOM 410 CB HIS A 461 -1.073 -4.583 6.433 1.00 52.25 C ATOM 411 CG HIS A 461 -1.045 -6.082 6.389 1.00 34.23 C ATOM 412 ND1 HIS A 461 -1.650 -6.870 7.344 1.00 61.15 N ATOM 413 CD2 HIS A 461 -0.472 -6.942 5.508 1.00 43.21 C ATOM 414 CE1 HIS A 461 -1.453 -8.141 7.059 1.00 62.25 C ATOM 415 NE2 HIS A 461 -0.744 -8.214 5.949 1.00 50.15 N ATOM 0 H HIS A 461 -0.329 -3.930 4.049 1.00 34.31 H new ATOM 0 HA HIS A 461 -2.922 -4.461 5.339 1.00 43.33 H new ATOM 0 HB2 HIS A 461 -0.056 -4.208 6.315 1.00 52.25 H new ATOM 0 HB3 HIS A 461 -1.417 -4.266 7.417 1.00 52.25 H new ATOM 0 HD1 HIS A 461 -2.171 -6.522 8.149 1.00 61.15 H new ATOM 0 HD2 HIS A 461 0.092 -6.676 4.626 1.00 43.21 H new ATOM 0 HE1 HIS A 461 -1.811 -8.981 7.636 1.00 62.25 H new ATOM 424 N VAL A 462 -3.494 -2.060 5.643 1.00 30.14 N ATOM 425 CA VAL A 462 -3.877 -0.679 5.944 1.00 53.52 C ATOM 426 C VAL A 462 -4.587 -0.603 7.300 1.00 12.35 C ATOM 427 O VAL A 462 -5.579 -1.292 7.539 1.00 4.41 O ATOM 428 CB VAL A 462 -4.772 -0.088 4.822 1.00 20.10 C ATOM 429 CG1 VAL A 462 -4.065 -0.210 3.474 1.00 64.55 C ATOM 430 CG2 VAL A 462 -6.143 -0.768 4.772 1.00 34.02 C ATOM 0 H VAL A 462 -4.273 -2.665 5.383 1.00 30.14 H new ATOM 0 HA VAL A 462 -2.968 -0.080 5.995 1.00 53.52 H new ATOM 0 HB VAL A 462 -4.940 0.965 5.046 1.00 20.10 H new ATOM 0 HG11 VAL A 462 -4.699 0.207 2.692 1.00 64.55 H new ATOM 0 HG12 VAL A 462 -3.122 0.336 3.507 1.00 64.55 H new ATOM 0 HG13 VAL A 462 -3.868 -1.261 3.260 1.00 64.55 H new ATOM 0 HG21 VAL A 462 -6.739 -0.326 3.974 1.00 34.02 H new ATOM 0 HG22 VAL A 462 -6.014 -1.833 4.581 1.00 34.02 H new ATOM 0 HG23 VAL A 462 -6.653 -0.629 5.725 1.00 34.02 H new ATOM 440 N LYS A 463 -4.064 0.219 8.197 1.00 44.50 N ATOM 441 CA LYS A 463 -4.568 0.264 9.572 1.00 21.41 C ATOM 442 C LYS A 463 -4.586 1.682 10.154 1.00 23.40 C ATOM 443 O LYS A 463 -3.741 2.520 9.835 1.00 42.42 O ATOM 444 CB LYS A 463 -3.729 -0.654 10.469 1.00 71.15 C ATOM 445 CG LYS A 463 -2.226 -0.521 10.250 1.00 63.14 C ATOM 446 CD LYS A 463 -1.431 -1.031 11.446 1.00 72.25 C ATOM 447 CE LYS A 463 -1.674 -2.511 11.710 1.00 23.33 C ATOM 448 NZ LYS A 463 -1.234 -3.368 10.576 1.00 40.12 N ATOM 0 H LYS A 463 -3.296 0.862 8.005 1.00 44.50 H new ATOM 0 HA LYS A 463 -5.601 -0.083 9.541 1.00 21.41 H new ATOM 0 HB2 LYS A 463 -3.956 -0.434 11.512 1.00 71.15 H new ATOM 0 HB3 LYS A 463 -4.023 -1.688 10.291 1.00 71.15 H new ATOM 0 HG2 LYS A 463 -1.938 -1.078 9.358 1.00 63.14 H new ATOM 0 HG3 LYS A 463 -1.977 0.524 10.067 1.00 63.14 H new ATOM 0 HD2 LYS A 463 -0.368 -0.865 11.271 1.00 72.25 H new ATOM 0 HD3 LYS A 463 -1.702 -0.456 12.332 1.00 72.25 H new ATOM 0 HE2 LYS A 463 -1.143 -2.808 12.614 1.00 23.33 H new ATOM 0 HE3 LYS A 463 -2.736 -2.675 11.896 1.00 23.33 H new ATOM 0 HZ1 LYS A 463 -0.920 -4.290 10.939 1.00 40.12 H new ATOM 0 HZ2 LYS A 463 -2.027 -3.507 9.918 1.00 40.12 H new ATOM 0 HZ3 LYS A 463 -0.447 -2.906 10.077 1.00 40.12 H new ATOM 462 N ASN A 464 -5.557 1.926 11.028 1.00 14.53 N ATOM 463 CA ASN A 464 -5.680 3.200 11.737 1.00 60.55 C ATOM 464 C ASN A 464 -5.098 3.067 13.150 1.00 43.55 C ATOM 465 O ASN A 464 -5.461 2.155 13.893 1.00 63.51 O ATOM 466 CB ASN A 464 -7.162 3.599 11.809 1.00 62.11 C ATOM 467 CG ASN A 464 -7.402 4.979 12.402 1.00 41.22 C ATOM 468 OD1 ASN A 464 -6.644 5.472 13.234 1.00 54.41 O ATOM 469 ND2 ASN A 464 -8.475 5.613 11.980 1.00 71.13 N ATOM 0 H ASN A 464 -6.281 1.249 11.266 1.00 14.53 H new ATOM 0 HA ASN A 464 -5.126 3.972 11.202 1.00 60.55 H new ATOM 0 HB2 ASN A 464 -7.586 3.567 10.805 1.00 62.11 H new ATOM 0 HB3 ASN A 464 -7.698 2.860 12.405 1.00 62.11 H new ATOM 0 HD21 ASN A 464 -8.696 6.540 12.345 1.00 71.13 H new ATOM 0 HD22 ASN A 464 -9.085 5.178 11.288 1.00 71.13 H new ATOM 476 N LEU A 465 -4.207 3.976 13.522 1.00 44.13 N ATOM 477 CA LEU A 465 -3.565 3.931 14.842 1.00 72.51 C ATOM 478 C LEU A 465 -4.010 5.097 15.742 1.00 61.20 C ATOM 479 O LEU A 465 -3.818 5.062 16.959 1.00 31.12 O ATOM 480 CB LEU A 465 -2.039 3.939 14.672 1.00 75.42 C ATOM 481 CG LEU A 465 -1.470 2.767 13.846 1.00 41.32 C ATOM 482 CD1 LEU A 465 0.051 2.845 13.755 1.00 22.12 C ATOM 483 CD2 LEU A 465 -1.903 1.424 14.433 1.00 55.35 C ATOM 0 H LEU A 465 -3.908 4.755 12.935 1.00 44.13 H new ATOM 0 HA LEU A 465 -3.875 3.010 15.335 1.00 72.51 H new ATOM 0 HB2 LEU A 465 -1.746 4.875 14.196 1.00 75.42 H new ATOM 0 HB3 LEU A 465 -1.578 3.925 15.660 1.00 75.42 H new ATOM 0 HG LEU A 465 -1.875 2.847 12.837 1.00 41.32 H new ATOM 0 HD11 LEU A 465 0.424 2.006 13.167 1.00 22.12 H new ATOM 0 HD12 LEU A 465 0.339 3.781 13.276 1.00 22.12 H new ATOM 0 HD13 LEU A 465 0.478 2.804 14.757 1.00 22.12 H new ATOM 0 HD21 LEU A 465 -1.489 0.614 13.833 1.00 55.35 H new ATOM 0 HD22 LEU A 465 -1.538 1.340 15.457 1.00 55.35 H new ATOM 0 HD23 LEU A 465 -2.991 1.359 14.429 1.00 55.35 H new ATOM 495 N GLY A 466 -4.633 6.110 15.140 1.00 64.23 N ATOM 496 CA GLY A 466 -5.026 7.312 15.877 1.00 43.04 C ATOM 497 C GLY A 466 -6.109 7.068 16.932 1.00 61.21 C ATOM 498 O GLY A 466 -6.248 7.844 17.878 1.00 20.53 O ATOM 0 H GLY A 466 -4.876 6.123 14.149 1.00 64.23 H new ATOM 0 HA2 GLY A 466 -4.146 7.731 16.365 1.00 43.04 H new ATOM 0 HA3 GLY A 466 -5.384 8.059 15.169 1.00 43.04 H new ATOM 502 N GLY A 467 -6.882 5.994 16.765 1.00 23.01 N ATOM 503 CA GLY A 467 -7.945 5.667 17.722 1.00 23.31 C ATOM 504 C GLY A 467 -9.284 6.345 17.418 1.00 4.53 C ATOM 505 O GLY A 467 -10.152 6.444 18.287 1.00 21.13 O ATOM 0 H GLY A 467 -6.796 5.341 15.986 1.00 23.01 H new ATOM 0 HA2 GLY A 467 -8.090 4.587 17.733 1.00 23.31 H new ATOM 0 HA3 GLY A 467 -7.621 5.956 18.722 1.00 23.31 H new ATOM 509 N ILE A 468 -9.450 6.804 16.182 1.00 13.34 N ATOM 510 CA ILE A 468 -10.697 7.441 15.729 1.00 2.03 C ATOM 511 C ILE A 468 -11.087 6.952 14.320 1.00 14.43 C ATOM 512 O ILE A 468 -10.228 6.812 13.449 1.00 21.12 O ATOM 513 CB ILE A 468 -10.571 8.993 15.738 1.00 24.14 C ATOM 514 CG1 ILE A 468 -11.778 9.651 15.039 1.00 10.04 C ATOM 515 CG2 ILE A 468 -9.260 9.434 15.085 1.00 62.24 C ATOM 516 CD1 ILE A 468 -11.771 11.166 15.080 1.00 4.12 C ATOM 0 H ILE A 468 -8.730 6.749 15.462 1.00 13.34 H new ATOM 0 HA ILE A 468 -11.483 7.154 16.428 1.00 2.03 H new ATOM 0 HB ILE A 468 -10.563 9.323 16.777 1.00 24.14 H new ATOM 0 HG12 ILE A 468 -11.802 9.327 13.998 1.00 10.04 H new ATOM 0 HG13 ILE A 468 -12.695 9.291 15.506 1.00 10.04 H new ATOM 0 HG21 ILE A 468 -9.193 10.522 15.102 1.00 62.24 H new ATOM 0 HG22 ILE A 468 -8.419 9.010 15.634 1.00 62.24 H new ATOM 0 HG23 ILE A 468 -9.232 9.085 14.053 1.00 62.24 H new ATOM 0 HD11 ILE A 468 -12.653 11.548 14.567 1.00 4.12 H new ATOM 0 HD12 ILE A 468 -11.781 11.502 16.117 1.00 4.12 H new ATOM 0 HD13 ILE A 468 -10.874 11.539 14.586 1.00 4.12 H new ATOM 528 N GLY A 469 -12.378 6.686 14.109 1.00 31.52 N ATOM 529 CA GLY A 469 -12.856 6.192 12.815 1.00 3.32 C ATOM 530 C GLY A 469 -12.692 7.195 11.670 1.00 73.11 C ATOM 531 O GLY A 469 -13.016 8.374 11.813 1.00 63.33 O ATOM 0 H GLY A 469 -13.107 6.803 14.812 1.00 31.52 H new ATOM 0 HA2 GLY A 469 -12.317 5.278 12.564 1.00 3.32 H new ATOM 0 HA3 GLY A 469 -13.909 5.927 12.905 1.00 3.32 H new ATOM 535 N VAL A 470 -12.204 6.716 10.524 1.00 20.14 N ATOM 536 CA VAL A 470 -11.917 7.578 9.369 1.00 23.13 C ATOM 537 C VAL A 470 -12.560 7.044 8.069 1.00 12.12 C ATOM 538 O VAL A 470 -12.201 5.969 7.586 1.00 22.35 O ATOM 539 CB VAL A 470 -10.385 7.714 9.145 1.00 41.12 C ATOM 540 CG1 VAL A 470 -10.079 8.641 7.971 1.00 63.21 C ATOM 541 CG2 VAL A 470 -9.696 8.207 10.413 1.00 42.12 C ATOM 0 H VAL A 470 -11.997 5.729 10.368 1.00 20.14 H new ATOM 0 HA VAL A 470 -12.349 8.552 9.599 1.00 23.13 H new ATOM 0 HB VAL A 470 -9.994 6.726 8.903 1.00 41.12 H new ATOM 0 HG11 VAL A 470 -9.000 8.716 7.839 1.00 63.21 H new ATOM 0 HG12 VAL A 470 -10.529 8.239 7.063 1.00 63.21 H new ATOM 0 HG13 VAL A 470 -10.490 9.630 8.172 1.00 63.21 H new ATOM 0 HG21 VAL A 470 -8.624 8.295 10.234 1.00 42.12 H new ATOM 0 HG22 VAL A 470 -10.099 9.181 10.691 1.00 42.12 H new ATOM 0 HG23 VAL A 470 -9.872 7.498 11.222 1.00 42.12 H new ATOM 551 N PRO A 471 -13.530 7.788 7.491 1.00 65.15 N ATOM 552 CA PRO A 471 -14.117 7.464 6.173 1.00 13.53 C ATOM 553 C PRO A 471 -13.221 7.914 5.001 1.00 30.32 C ATOM 554 O PRO A 471 -13.443 7.550 3.847 1.00 2.23 O ATOM 555 CB PRO A 471 -15.427 8.261 6.182 1.00 3.34 C ATOM 556 CG PRO A 471 -15.135 9.451 7.035 1.00 45.21 C ATOM 557 CD PRO A 471 -14.160 8.987 8.092 1.00 32.42 C ATOM 0 HA PRO A 471 -14.246 6.391 6.030 1.00 13.53 H new ATOM 0 HB2 PRO A 471 -15.718 8.557 5.174 1.00 3.34 H new ATOM 0 HB3 PRO A 471 -16.248 7.671 6.591 1.00 3.34 H new ATOM 0 HG2 PRO A 471 -14.709 10.260 6.441 1.00 45.21 H new ATOM 0 HG3 PRO A 471 -16.047 9.836 7.490 1.00 45.21 H new ATOM 0 HD2 PRO A 471 -13.421 9.755 8.319 1.00 32.42 H new ATOM 0 HD3 PRO A 471 -14.667 8.746 9.026 1.00 32.42 H new ATOM 565 N SER A 472 -12.204 8.704 5.325 1.00 72.44 N ATOM 566 CA SER A 472 -11.301 9.320 4.335 1.00 14.21 C ATOM 567 C SER A 472 -10.202 8.360 3.845 1.00 53.40 C ATOM 568 O SER A 472 -9.256 8.781 3.182 1.00 42.53 O ATOM 569 CB SER A 472 -10.654 10.576 4.932 1.00 22.31 C ATOM 570 OG SER A 472 -11.634 11.524 5.326 1.00 52.31 O ATOM 0 H SER A 472 -11.973 8.943 6.289 1.00 72.44 H new ATOM 0 HA SER A 472 -11.911 9.579 3.470 1.00 14.21 H new ATOM 0 HB2 SER A 472 -10.045 10.300 5.793 1.00 22.31 H new ATOM 0 HB3 SER A 472 -9.984 11.026 4.199 1.00 22.31 H new ATOM 0 HG SER A 472 -11.543 12.334 4.781 1.00 52.31 H new ATOM 576 N THR A 473 -10.323 7.070 4.155 1.00 71.13 N ATOM 577 CA THR A 473 -9.218 6.126 3.938 1.00 33.13 C ATOM 578 C THR A 473 -9.254 5.503 2.532 1.00 12.32 C ATOM 579 O THR A 473 -9.939 4.512 2.279 1.00 40.23 O ATOM 580 CB THR A 473 -9.250 4.984 4.988 1.00 75.21 C ATOM 581 OG1 THR A 473 -9.247 5.531 6.315 1.00 42.23 O ATOM 582 CG2 THR A 473 -8.058 4.043 4.825 1.00 54.21 C ATOM 0 H THR A 473 -11.165 6.654 4.553 1.00 71.13 H new ATOM 0 HA THR A 473 -8.298 6.702 4.042 1.00 33.13 H new ATOM 0 HB THR A 473 -10.165 4.413 4.827 1.00 75.21 H new ATOM 0 HG1 THR A 473 -10.170 5.635 6.628 1.00 42.23 H new ATOM 0 HG21 THR A 473 -8.111 3.255 5.576 1.00 54.21 H new ATOM 0 HG22 THR A 473 -8.079 3.598 3.830 1.00 54.21 H new ATOM 0 HG23 THR A 473 -7.132 4.604 4.952 1.00 54.21 H new ATOM 590 N LYS A 474 -8.513 6.124 1.615 1.00 30.33 N ATOM 591 CA LYS A 474 -8.364 5.626 0.242 1.00 20.02 C ATOM 592 C LYS A 474 -6.925 5.137 -0.001 1.00 23.21 C ATOM 593 O LYS A 474 -5.971 5.894 0.171 1.00 62.43 O ATOM 594 CB LYS A 474 -8.721 6.738 -0.754 1.00 52.11 C ATOM 595 CG LYS A 474 -10.131 7.296 -0.574 1.00 63.32 C ATOM 596 CD LYS A 474 -10.374 8.518 -1.452 1.00 64.32 C ATOM 597 CE LYS A 474 -11.741 9.138 -1.194 1.00 61.54 C ATOM 598 NZ LYS A 474 -11.919 10.406 -1.948 1.00 25.14 N ATOM 0 H LYS A 474 -7.999 6.985 1.799 1.00 30.33 H new ATOM 0 HA LYS A 474 -9.042 4.785 0.097 1.00 20.02 H new ATOM 0 HB2 LYS A 474 -8.002 7.551 -0.650 1.00 52.11 H new ATOM 0 HB3 LYS A 474 -8.620 6.351 -1.768 1.00 52.11 H new ATOM 0 HG2 LYS A 474 -10.861 6.524 -0.816 1.00 63.32 H new ATOM 0 HG3 LYS A 474 -10.285 7.563 0.471 1.00 63.32 H new ATOM 0 HD2 LYS A 474 -9.598 9.260 -1.265 1.00 64.32 H new ATOM 0 HD3 LYS A 474 -10.297 8.233 -2.501 1.00 64.32 H new ATOM 0 HE2 LYS A 474 -12.521 8.432 -1.480 1.00 61.54 H new ATOM 0 HE3 LYS A 474 -11.859 9.329 -0.127 1.00 61.54 H new ATOM 0 HZ1 LYS A 474 -12.568 11.031 -1.428 1.00 25.14 H new ATOM 0 HZ2 LYS A 474 -10.998 10.877 -2.057 1.00 25.14 H new ATOM 0 HZ3 LYS A 474 -12.315 10.199 -2.887 1.00 25.14 H new ATOM 612 N VAL A 475 -6.782 3.878 -0.408 1.00 35.32 N ATOM 613 CA VAL A 475 -5.464 3.243 -0.564 1.00 40.23 C ATOM 614 C VAL A 475 -5.068 3.101 -2.043 1.00 0.11 C ATOM 615 O VAL A 475 -5.858 2.643 -2.863 1.00 44.14 O ATOM 616 CB VAL A 475 -5.460 1.841 0.094 1.00 52.22 C ATOM 617 CG1 VAL A 475 -4.059 1.228 0.078 1.00 73.22 C ATOM 618 CG2 VAL A 475 -6.013 1.921 1.518 1.00 24.23 C ATOM 0 H VAL A 475 -7.566 3.268 -0.639 1.00 35.32 H new ATOM 0 HA VAL A 475 -4.738 3.890 -0.072 1.00 40.23 H new ATOM 0 HB VAL A 475 -6.109 1.187 -0.488 1.00 52.22 H new ATOM 0 HG11 VAL A 475 -4.087 0.244 0.546 1.00 73.22 H new ATOM 0 HG12 VAL A 475 -3.717 1.130 -0.952 1.00 73.22 H new ATOM 0 HG13 VAL A 475 -3.374 1.873 0.628 1.00 73.22 H new ATOM 0 HG21 VAL A 475 -6.004 0.928 1.968 1.00 24.23 H new ATOM 0 HG22 VAL A 475 -5.394 2.594 2.111 1.00 24.23 H new ATOM 0 HG23 VAL A 475 -7.035 2.298 1.491 1.00 24.23 H new ATOM 628 N ARG A 476 -3.840 3.489 -2.377 1.00 73.13 N ATOM 629 CA ARG A 476 -3.335 3.370 -3.754 1.00 4.22 C ATOM 630 C ARG A 476 -1.980 2.644 -3.793 1.00 73.25 C ATOM 631 O ARG A 476 -1.155 2.797 -2.893 1.00 21.42 O ATOM 632 CB ARG A 476 -3.203 4.758 -4.398 1.00 12.44 C ATOM 633 CG ARG A 476 -4.522 5.524 -4.499 1.00 24.13 C ATOM 634 CD ARG A 476 -4.344 6.863 -5.204 1.00 71.33 C ATOM 635 NE ARG A 476 -5.600 7.605 -5.320 1.00 64.21 N ATOM 636 CZ ARG A 476 -5.841 8.491 -6.251 1.00 72.41 C ATOM 637 NH1 ARG A 476 -4.960 8.753 -7.163 1.00 4.11 N ATOM 638 NH2 ARG A 476 -6.969 9.119 -6.279 1.00 74.23 N ATOM 0 H ARG A 476 -3.172 3.889 -1.718 1.00 73.13 H new ATOM 0 HA ARG A 476 -4.055 2.779 -4.320 1.00 4.22 H new ATOM 0 HB2 ARG A 476 -2.494 5.350 -3.819 1.00 12.44 H new ATOM 0 HB3 ARG A 476 -2.783 4.645 -5.397 1.00 12.44 H new ATOM 0 HG2 ARG A 476 -5.252 4.922 -5.040 1.00 24.13 H new ATOM 0 HG3 ARG A 476 -4.924 5.690 -3.499 1.00 24.13 H new ATOM 0 HD2 ARG A 476 -3.619 7.465 -4.656 1.00 71.33 H new ATOM 0 HD3 ARG A 476 -3.932 6.695 -6.199 1.00 71.33 H new ATOM 0 HE ARG A 476 -6.331 7.420 -4.633 1.00 64.21 H new ATOM 0 HH11 ARG A 476 -4.064 8.266 -7.161 1.00 4.11 H new ATOM 0 HH12 ARG A 476 -5.162 9.447 -7.883 1.00 4.11 H new ATOM 0 HH21 ARG A 476 -7.678 8.925 -5.572 1.00 74.23 H new ATOM 0 HH22 ARG A 476 -7.151 9.809 -7.008 1.00 74.23 H new ATOM 652 N VAL A 477 -1.758 1.851 -4.842 1.00 30.23 N ATOM 653 CA VAL A 477 -0.493 1.119 -5.014 1.00 64.33 C ATOM 654 C VAL A 477 0.198 1.502 -6.333 1.00 74.23 C ATOM 655 O VAL A 477 -0.407 1.439 -7.407 1.00 53.25 O ATOM 656 CB VAL A 477 -0.718 -0.418 -4.975 1.00 70.43 C ATOM 657 CG1 VAL A 477 0.571 -1.175 -5.308 1.00 60.43 C ATOM 658 CG2 VAL A 477 -1.252 -0.846 -3.607 1.00 64.52 C ATOM 0 H VAL A 477 -2.436 1.696 -5.588 1.00 30.23 H new ATOM 0 HA VAL A 477 0.152 1.401 -4.182 1.00 64.33 H new ATOM 0 HB VAL A 477 -1.460 -0.668 -5.734 1.00 70.43 H new ATOM 0 HG11 VAL A 477 0.382 -2.248 -5.273 1.00 60.43 H new ATOM 0 HG12 VAL A 477 0.908 -0.898 -6.307 1.00 60.43 H new ATOM 0 HG13 VAL A 477 1.342 -0.918 -4.581 1.00 60.43 H new ATOM 0 HG21 VAL A 477 -1.404 -1.925 -3.597 1.00 64.52 H new ATOM 0 HG22 VAL A 477 -0.533 -0.574 -2.834 1.00 64.52 H new ATOM 0 HG23 VAL A 477 -2.200 -0.344 -3.413 1.00 64.52 H new ATOM 668 N TYR A 478 1.466 1.903 -6.241 1.00 22.13 N ATOM 669 CA TYR A 478 2.249 2.309 -7.414 1.00 54.42 C ATOM 670 C TYR A 478 3.518 1.455 -7.565 1.00 35.45 C ATOM 671 O TYR A 478 4.213 1.183 -6.588 1.00 4.33 O ATOM 672 CB TYR A 478 2.660 3.786 -7.299 1.00 3.15 C ATOM 673 CG TYR A 478 1.501 4.756 -7.182 1.00 72.21 C ATOM 674 CD1 TYR A 478 0.945 5.057 -5.943 1.00 52.22 C ATOM 675 CD2 TYR A 478 0.974 5.383 -8.305 1.00 54.11 C ATOM 676 CE1 TYR A 478 -0.103 5.949 -5.830 1.00 11.12 C ATOM 677 CE2 TYR A 478 -0.072 6.277 -8.199 1.00 53.53 C ATOM 678 CZ TYR A 478 -0.606 6.557 -6.960 1.00 52.24 C ATOM 679 OH TYR A 478 -1.651 7.449 -6.850 1.00 21.51 O ATOM 0 H TYR A 478 1.978 1.956 -5.360 1.00 22.13 H new ATOM 0 HA TYR A 478 1.617 2.164 -8.290 1.00 54.42 H new ATOM 0 HB2 TYR A 478 3.304 3.903 -6.428 1.00 3.15 H new ATOM 0 HB3 TYR A 478 3.254 4.053 -8.173 1.00 3.15 H new ATOM 0 HD1 TYR A 478 1.339 4.585 -5.055 1.00 52.22 H new ATOM 0 HD2 TYR A 478 1.390 5.167 -9.278 1.00 54.11 H new ATOM 0 HE1 TYR A 478 -0.526 6.169 -4.861 1.00 11.12 H new ATOM 0 HE2 TYR A 478 -0.470 6.755 -9.082 1.00 53.53 H new ATOM 0 HH TYR A 478 -1.711 7.770 -5.926 1.00 21.51 H new ATOM 689 N ILE A 479 3.815 1.044 -8.795 1.00 4.35 N ATOM 690 CA ILE A 479 5.065 0.338 -9.099 1.00 41.35 C ATOM 691 C ILE A 479 6.005 1.251 -9.906 1.00 11.32 C ATOM 692 O ILE A 479 5.760 1.527 -11.084 1.00 2.34 O ATOM 693 CB ILE A 479 4.788 -0.964 -9.894 1.00 51.23 C ATOM 694 CG1 ILE A 479 3.780 -1.847 -9.130 1.00 73.02 C ATOM 695 CG2 ILE A 479 6.090 -1.724 -10.160 1.00 51.30 C ATOM 696 CD1 ILE A 479 3.382 -3.110 -9.865 1.00 72.22 C ATOM 0 H ILE A 479 3.208 1.186 -9.602 1.00 4.35 H new ATOM 0 HA ILE A 479 5.542 0.071 -8.156 1.00 41.35 H new ATOM 0 HB ILE A 479 4.354 -0.699 -10.858 1.00 51.23 H new ATOM 0 HG12 ILE A 479 4.210 -2.121 -8.167 1.00 73.02 H new ATOM 0 HG13 ILE A 479 2.884 -1.262 -8.924 1.00 73.02 H new ATOM 0 HG21 ILE A 479 5.872 -2.634 -10.719 1.00 51.30 H new ATOM 0 HG22 ILE A 479 6.766 -1.095 -10.739 1.00 51.30 H new ATOM 0 HG23 ILE A 479 6.560 -1.984 -9.211 1.00 51.30 H new ATOM 0 HD11 ILE A 479 2.672 -3.674 -9.261 1.00 72.22 H new ATOM 0 HD12 ILE A 479 2.920 -2.847 -10.817 1.00 72.22 H new ATOM 0 HD13 ILE A 479 4.267 -3.719 -10.047 1.00 72.22 H new ATOM 708 N ASN A 480 7.070 1.731 -9.259 1.00 70.54 N ATOM 709 CA ASN A 480 7.989 2.711 -9.864 1.00 13.30 C ATOM 710 C ASN A 480 7.240 3.989 -10.296 1.00 61.22 C ATOM 711 O ASN A 480 7.602 4.632 -11.286 1.00 4.31 O ATOM 712 CB ASN A 480 8.719 2.100 -11.071 1.00 32.45 C ATOM 713 CG ASN A 480 9.583 0.907 -10.701 1.00 52.42 C ATOM 714 OD1 ASN A 480 10.131 0.832 -9.608 1.00 22.31 O ATOM 715 ND2 ASN A 480 9.702 -0.040 -11.609 1.00 53.40 N ATOM 0 H ASN A 480 7.322 1.457 -8.309 1.00 70.54 H new ATOM 0 HA ASN A 480 8.724 2.982 -9.106 1.00 13.30 H new ATOM 0 HB2 ASN A 480 7.984 1.793 -11.815 1.00 32.45 H new ATOM 0 HB3 ASN A 480 9.343 2.863 -11.536 1.00 32.45 H new ATOM 0 HD21 ASN A 480 10.264 -0.868 -11.412 1.00 53.40 H new ATOM 0 HD22 ASN A 480 9.232 0.055 -12.509 1.00 53.40 H new ATOM 722 N GLY A 481 6.213 4.366 -9.534 1.00 11.34 N ATOM 723 CA GLY A 481 5.416 5.548 -9.866 1.00 61.22 C ATOM 724 C GLY A 481 4.193 5.237 -10.726 1.00 64.51 C ATOM 725 O GLY A 481 3.328 6.092 -10.919 1.00 21.32 O ATOM 0 H GLY A 481 5.915 3.876 -8.691 1.00 11.34 H new ATOM 0 HA2 GLY A 481 5.089 6.027 -8.943 1.00 61.22 H new ATOM 0 HA3 GLY A 481 6.046 6.266 -10.391 1.00 61.22 H new ATOM 729 N THR A 482 4.116 4.010 -11.238 1.00 1.12 N ATOM 730 CA THR A 482 3.004 3.595 -12.106 1.00 52.22 C ATOM 731 C THR A 482 1.803 3.117 -11.278 1.00 71.51 C ATOM 732 O THR A 482 1.941 2.256 -10.414 1.00 24.14 O ATOM 733 CB THR A 482 3.444 2.461 -13.066 1.00 73.02 C ATOM 734 OG1 THR A 482 4.609 2.869 -13.803 1.00 34.25 O ATOM 735 CG2 THR A 482 2.331 2.084 -14.039 1.00 33.42 C ATOM 0 H THR A 482 4.809 3.281 -11.069 1.00 1.12 H new ATOM 0 HA THR A 482 2.709 4.467 -12.690 1.00 52.22 H new ATOM 0 HB THR A 482 3.676 1.585 -12.461 1.00 73.02 H new ATOM 0 HG1 THR A 482 4.883 2.148 -14.407 1.00 34.25 H new ATOM 0 HG21 THR A 482 2.677 1.286 -14.696 1.00 33.42 H new ATOM 0 HG22 THR A 482 1.460 1.742 -13.480 1.00 33.42 H new ATOM 0 HG23 THR A 482 2.060 2.954 -14.637 1.00 33.42 H new ATOM 743 N LEU A 483 0.629 3.677 -11.543 1.00 1.21 N ATOM 744 CA LEU A 483 -0.588 3.305 -10.814 1.00 40.51 C ATOM 745 C LEU A 483 -1.035 1.875 -11.164 1.00 22.32 C ATOM 746 O LEU A 483 -1.331 1.571 -12.320 1.00 53.22 O ATOM 747 CB LEU A 483 -1.720 4.298 -11.123 1.00 32.20 C ATOM 748 CG LEU A 483 -3.063 3.998 -10.437 1.00 1.43 C ATOM 749 CD1 LEU A 483 -2.931 4.082 -8.916 1.00 25.34 C ATOM 750 CD2 LEU A 483 -4.144 4.949 -10.943 1.00 41.14 C ATOM 0 H LEU A 483 0.489 4.392 -12.257 1.00 1.21 H new ATOM 0 HA LEU A 483 -0.361 3.339 -9.748 1.00 40.51 H new ATOM 0 HB2 LEU A 483 -1.396 5.296 -10.829 1.00 32.20 H new ATOM 0 HB3 LEU A 483 -1.878 4.319 -12.201 1.00 32.20 H new ATOM 0 HG LEU A 483 -3.356 2.979 -10.690 1.00 1.43 H new ATOM 0 HD11 LEU A 483 -3.895 3.866 -8.455 1.00 25.34 H new ATOM 0 HD12 LEU A 483 -2.194 3.356 -8.574 1.00 25.34 H new ATOM 0 HD13 LEU A 483 -2.610 5.085 -8.633 1.00 25.34 H new ATOM 0 HD21 LEU A 483 -5.088 4.723 -10.448 1.00 41.14 H new ATOM 0 HD22 LEU A 483 -3.856 5.977 -10.724 1.00 41.14 H new ATOM 0 HD23 LEU A 483 -4.261 4.827 -12.020 1.00 41.14 H new ATOM 762 N TYR A 484 -1.065 0.996 -10.164 1.00 41.14 N ATOM 763 CA TYR A 484 -1.497 -0.392 -10.364 1.00 72.21 C ATOM 764 C TYR A 484 -2.992 -0.578 -10.035 1.00 31.30 C ATOM 765 O TYR A 484 -3.730 -1.219 -10.788 1.00 12.12 O ATOM 766 CB TYR A 484 -0.644 -1.321 -9.488 1.00 21.21 C ATOM 767 CG TYR A 484 -1.037 -2.785 -9.569 1.00 54.12 C ATOM 768 CD1 TYR A 484 -0.497 -3.620 -10.545 1.00 70.05 C ATOM 769 CD2 TYR A 484 -1.947 -3.334 -8.670 1.00 35.22 C ATOM 770 CE1 TYR A 484 -0.854 -4.952 -10.619 1.00 62.04 C ATOM 771 CE2 TYR A 484 -2.307 -4.662 -8.740 1.00 63.54 C ATOM 772 CZ TYR A 484 -1.758 -5.468 -9.716 1.00 1.22 C ATOM 773 OH TYR A 484 -2.114 -6.794 -9.784 1.00 1.20 O ATOM 0 H TYR A 484 -0.796 1.217 -9.205 1.00 41.14 H new ATOM 0 HA TYR A 484 -1.360 -0.644 -11.416 1.00 72.21 H new ATOM 0 HB2 TYR A 484 0.401 -1.220 -9.781 1.00 21.21 H new ATOM 0 HB3 TYR A 484 -0.718 -0.993 -8.451 1.00 21.21 H new ATOM 0 HD1 TYR A 484 0.212 -3.219 -11.255 1.00 70.05 H new ATOM 0 HD2 TYR A 484 -2.379 -2.707 -7.904 1.00 35.22 H new ATOM 0 HE1 TYR A 484 -0.427 -5.587 -11.381 1.00 62.04 H new ATOM 0 HE2 TYR A 484 -3.015 -5.070 -8.034 1.00 63.54 H new ATOM 0 HH TYR A 484 -1.355 -7.320 -10.113 1.00 1.20 H new ATOM 783 N LYS A 485 -3.434 -0.012 -8.912 1.00 64.11 N ATOM 784 CA LYS A 485 -4.834 -0.144 -8.476 1.00 63.14 C ATOM 785 C LYS A 485 -5.134 0.788 -7.289 1.00 74.14 C ATOM 786 O LYS A 485 -4.216 1.240 -6.598 1.00 32.12 O ATOM 787 CB LYS A 485 -5.129 -1.607 -8.096 1.00 64.03 C ATOM 788 CG LYS A 485 -6.597 -1.889 -7.783 1.00 0.01 C ATOM 789 CD LYS A 485 -6.847 -3.371 -7.516 1.00 4.12 C ATOM 790 CE LYS A 485 -8.314 -3.651 -7.203 1.00 74.32 C ATOM 791 NZ LYS A 485 -9.194 -3.383 -8.369 1.00 64.34 N ATOM 0 H LYS A 485 -2.849 0.542 -8.286 1.00 64.11 H new ATOM 0 HA LYS A 485 -5.481 0.148 -9.303 1.00 63.14 H new ATOM 0 HB2 LYS A 485 -4.813 -2.254 -8.914 1.00 64.03 H new ATOM 0 HB3 LYS A 485 -4.526 -1.874 -7.228 1.00 64.03 H new ATOM 0 HG2 LYS A 485 -6.901 -1.307 -6.913 1.00 0.01 H new ATOM 0 HG3 LYS A 485 -7.216 -1.561 -8.618 1.00 0.01 H new ATOM 0 HD2 LYS A 485 -6.543 -3.953 -8.386 1.00 4.12 H new ATOM 0 HD3 LYS A 485 -6.228 -3.699 -6.681 1.00 4.12 H new ATOM 0 HE2 LYS A 485 -8.427 -4.691 -6.895 1.00 74.32 H new ATOM 0 HE3 LYS A 485 -8.629 -3.034 -6.362 1.00 74.32 H new ATOM 0 HZ1 LYS A 485 -10.154 -3.728 -8.166 1.00 64.34 H new ATOM 0 HZ2 LYS A 485 -9.225 -2.360 -8.552 1.00 64.34 H new ATOM 0 HZ3 LYS A 485 -8.820 -3.873 -9.206 1.00 64.34 H new ATOM 805 N ASN A 486 -6.418 1.081 -7.056 1.00 44.11 N ATOM 806 CA ASN A 486 -6.826 1.912 -5.915 1.00 75.44 C ATOM 807 C ASN A 486 -7.993 1.271 -5.137 1.00 24.14 C ATOM 808 O ASN A 486 -8.743 0.454 -5.674 1.00 13.21 O ATOM 809 CB ASN A 486 -7.207 3.326 -6.385 1.00 41.20 C ATOM 810 CG ASN A 486 -8.478 3.353 -7.216 1.00 52.02 C ATOM 811 OD1 ASN A 486 -9.574 3.534 -6.692 1.00 33.43 O ATOM 812 ND2 ASN A 486 -8.349 3.178 -8.515 1.00 55.33 N ATOM 0 H ASN A 486 -7.190 0.757 -7.639 1.00 44.11 H new ATOM 0 HA ASN A 486 -5.975 1.984 -5.238 1.00 75.44 H new ATOM 0 HB2 ASN A 486 -7.335 3.970 -5.515 1.00 41.20 H new ATOM 0 HB3 ASN A 486 -6.387 3.741 -6.971 1.00 41.20 H new ATOM 0 HD21 ASN A 486 -9.173 3.191 -9.116 1.00 55.33 H new ATOM 0 HD22 ASN A 486 -7.425 3.030 -8.920 1.00 55.33 H new ATOM 819 N TRP A 487 -8.134 1.655 -3.870 1.00 24.15 N ATOM 820 CA TRP A 487 -9.200 1.149 -2.991 1.00 61.15 C ATOM 821 C TRP A 487 -9.833 2.295 -2.186 1.00 51.11 C ATOM 822 O TRP A 487 -9.141 3.226 -1.770 1.00 63.51 O ATOM 823 CB TRP A 487 -8.649 0.108 -2.002 1.00 53.33 C ATOM 824 CG TRP A 487 -8.262 -1.205 -2.616 1.00 34.21 C ATOM 825 CD1 TRP A 487 -9.063 -2.300 -2.770 1.00 74.05 C ATOM 826 CD2 TRP A 487 -6.978 -1.570 -3.138 1.00 73.53 C ATOM 827 NE1 TRP A 487 -8.356 -3.324 -3.350 1.00 51.14 N ATOM 828 CE2 TRP A 487 -7.076 -2.900 -3.587 1.00 64.45 C ATOM 829 CE3 TRP A 487 -5.757 -0.901 -3.271 1.00 72.54 C ATOM 830 CZ2 TRP A 487 -5.999 -3.575 -4.157 1.00 41.00 C ATOM 831 CZ3 TRP A 487 -4.691 -1.573 -3.835 1.00 44.22 C ATOM 832 CH2 TRP A 487 -4.817 -2.897 -4.273 1.00 2.32 C ATOM 0 H TRP A 487 -7.514 2.327 -3.418 1.00 24.15 H new ATOM 0 HA TRP A 487 -9.952 0.686 -3.630 1.00 61.15 H new ATOM 0 HB2 TRP A 487 -7.777 0.530 -1.502 1.00 53.33 H new ATOM 0 HB3 TRP A 487 -9.400 -0.074 -1.233 1.00 53.33 H new ATOM 0 HD1 TRP A 487 -10.101 -2.353 -2.478 1.00 74.05 H new ATOM 0 HE1 TRP A 487 -8.724 -4.250 -3.569 1.00 51.14 H new ATOM 0 HE3 TRP A 487 -5.650 0.121 -2.939 1.00 72.54 H new ATOM 0 HZ2 TRP A 487 -6.094 -4.596 -4.495 1.00 41.00 H new ATOM 0 HZ3 TRP A 487 -3.742 -1.068 -3.940 1.00 44.22 H new ATOM 0 HH2 TRP A 487 -3.963 -3.393 -4.711 1.00 2.32 H new ATOM 843 N THR A 488 -11.143 2.220 -1.961 1.00 51.34 N ATOM 844 CA THR A 488 -11.834 3.188 -1.094 1.00 1.43 C ATOM 845 C THR A 488 -12.541 2.464 0.060 1.00 64.24 C ATOM 846 O THR A 488 -13.470 1.684 -0.161 1.00 70.34 O ATOM 847 CB THR A 488 -12.872 4.024 -1.890 1.00 24.23 C ATOM 848 OG1 THR A 488 -12.212 4.773 -2.924 1.00 43.10 O ATOM 849 CG2 THR A 488 -13.636 4.986 -0.982 1.00 15.12 C ATOM 0 H THR A 488 -11.750 1.505 -2.362 1.00 51.34 H new ATOM 0 HA THR A 488 -11.079 3.864 -0.693 1.00 1.43 H new ATOM 0 HB THR A 488 -13.586 3.328 -2.331 1.00 24.23 H new ATOM 0 HG1 THR A 488 -12.874 5.296 -3.422 1.00 43.10 H new ATOM 0 HG21 THR A 488 -14.353 5.554 -1.575 1.00 15.12 H new ATOM 0 HG22 THR A 488 -14.166 4.420 -0.216 1.00 15.12 H new ATOM 0 HG23 THR A 488 -12.935 5.672 -0.506 1.00 15.12 H new ATOM 857 N VAL A 489 -12.119 2.749 1.292 1.00 14.53 N ATOM 858 CA VAL A 489 -12.629 2.042 2.478 1.00 1.34 C ATOM 859 C VAL A 489 -12.715 2.966 3.702 1.00 13.24 C ATOM 860 O VAL A 489 -12.293 4.123 3.663 1.00 14.12 O ATOM 861 CB VAL A 489 -11.745 0.814 2.848 1.00 54.13 C ATOM 862 CG1 VAL A 489 -11.802 -0.262 1.763 1.00 2.33 C ATOM 863 CG2 VAL A 489 -10.298 1.242 3.110 1.00 62.23 C ATOM 0 H VAL A 489 -11.424 3.466 1.500 1.00 14.53 H new ATOM 0 HA VAL A 489 -13.629 1.700 2.212 1.00 1.34 H new ATOM 0 HB VAL A 489 -12.147 0.384 3.765 1.00 54.13 H new ATOM 0 HG11 VAL A 489 -11.174 -1.105 2.053 1.00 2.33 H new ATOM 0 HG12 VAL A 489 -12.831 -0.601 1.641 1.00 2.33 H new ATOM 0 HG13 VAL A 489 -11.442 0.152 0.821 1.00 2.33 H new ATOM 0 HG21 VAL A 489 -9.701 0.367 3.366 1.00 62.23 H new ATOM 0 HG22 VAL A 489 -9.889 1.711 2.215 1.00 62.23 H new ATOM 0 HG23 VAL A 489 -10.273 1.953 3.936 1.00 62.23 H new ATOM 873 N SER A 490 -13.283 2.445 4.786 1.00 21.54 N ATOM 874 CA SER A 490 -13.373 3.179 6.055 1.00 43.53 C ATOM 875 C SER A 490 -12.768 2.357 7.201 1.00 75.13 C ATOM 876 O SER A 490 -13.053 1.165 7.343 1.00 60.40 O ATOM 877 CB SER A 490 -14.835 3.530 6.369 1.00 73.02 C ATOM 878 OG SER A 490 -15.659 2.371 6.372 1.00 24.12 O ATOM 0 H SER A 490 -13.692 1.511 4.815 1.00 21.54 H new ATOM 0 HA SER A 490 -12.804 4.104 5.955 1.00 43.53 H new ATOM 0 HB2 SER A 490 -14.892 4.021 7.340 1.00 73.02 H new ATOM 0 HB3 SER A 490 -15.207 4.240 5.630 1.00 73.02 H new ATOM 0 HG SER A 490 -16.583 2.627 6.577 1.00 24.12 H new ATOM 884 N LEU A 491 -11.939 3.000 8.023 1.00 34.25 N ATOM 885 CA LEU A 491 -11.258 2.320 9.135 1.00 50.31 C ATOM 886 C LEU A 491 -11.686 2.892 10.489 1.00 0.43 C ATOM 887 O LEU A 491 -11.497 4.075 10.760 1.00 12.53 O ATOM 888 CB LEU A 491 -9.733 2.460 8.987 1.00 44.43 C ATOM 889 CG LEU A 491 -9.098 1.657 7.843 1.00 73.23 C ATOM 890 CD1 LEU A 491 -7.600 1.935 7.763 1.00 74.44 C ATOM 891 CD2 LEU A 491 -9.357 0.164 8.025 1.00 1.52 C ATOM 0 H LEU A 491 -11.720 3.993 7.943 1.00 34.25 H new ATOM 0 HA LEU A 491 -11.540 1.268 9.099 1.00 50.31 H new ATOM 0 HB2 LEU A 491 -9.496 3.514 8.842 1.00 44.43 H new ATOM 0 HB3 LEU A 491 -9.266 2.155 9.923 1.00 44.43 H new ATOM 0 HG LEU A 491 -9.558 1.972 6.906 1.00 73.23 H new ATOM 0 HD11 LEU A 491 -7.166 1.358 6.947 1.00 74.44 H new ATOM 0 HD12 LEU A 491 -7.436 2.998 7.583 1.00 74.44 H new ATOM 0 HD13 LEU A 491 -7.126 1.649 8.702 1.00 74.44 H new ATOM 0 HD21 LEU A 491 -8.899 -0.387 7.204 1.00 1.52 H new ATOM 0 HD22 LEU A 491 -8.926 -0.167 8.970 1.00 1.52 H new ATOM 0 HD23 LEU A 491 -10.431 -0.021 8.031 1.00 1.52 H new ATOM 903 N GLY A 492 -12.247 2.039 11.340 1.00 55.13 N ATOM 904 CA GLY A 492 -12.622 2.456 12.684 1.00 24.02 C ATOM 905 C GLY A 492 -11.421 2.596 13.615 1.00 63.20 C ATOM 906 O GLY A 492 -10.267 2.518 13.174 1.00 3.53 O ATOM 0 H GLY A 492 -12.450 1.063 11.124 1.00 55.13 H new ATOM 0 HA2 GLY A 492 -13.148 3.409 12.631 1.00 24.02 H new ATOM 0 HA3 GLY A 492 -13.319 1.731 13.104 1.00 24.02 H new ATOM 910 N PRO A 493 -11.651 2.785 14.925 1.00 5.54 N ATOM 911 CA PRO A 493 -10.561 2.936 15.896 1.00 73.13 C ATOM 912 C PRO A 493 -9.667 1.687 15.971 1.00 30.13 C ATOM 913 O PRO A 493 -10.135 0.593 16.295 1.00 14.32 O ATOM 914 CB PRO A 493 -11.291 3.175 17.230 1.00 44.05 C ATOM 915 CG PRO A 493 -12.663 2.627 17.020 1.00 15.23 C ATOM 916 CD PRO A 493 -12.980 2.851 15.564 1.00 73.12 C ATOM 0 HA PRO A 493 -9.883 3.746 15.626 1.00 73.13 H new ATOM 0 HB2 PRO A 493 -10.785 2.670 18.053 1.00 44.05 H new ATOM 0 HB3 PRO A 493 -11.323 4.236 17.478 1.00 44.05 H new ATOM 0 HG2 PRO A 493 -12.702 1.567 17.269 1.00 15.23 H new ATOM 0 HG3 PRO A 493 -13.387 3.132 17.659 1.00 15.23 H new ATOM 0 HD2 PRO A 493 -13.654 2.088 15.175 1.00 73.12 H new ATOM 0 HD3 PRO A 493 -13.461 3.815 15.399 1.00 73.12 H new ATOM 924 N LYS A 494 -8.384 1.860 15.633 1.00 30.50 N ATOM 925 CA LYS A 494 -7.381 0.787 15.739 1.00 41.44 C ATOM 926 C LYS A 494 -7.675 -0.382 14.771 1.00 64.34 C ATOM 927 O LYS A 494 -7.177 -1.497 14.957 1.00 1.33 O ATOM 928 CB LYS A 494 -7.309 0.279 17.190 1.00 42.22 C ATOM 929 CG LYS A 494 -7.017 1.373 18.223 1.00 13.44 C ATOM 930 CD LYS A 494 -5.585 1.895 18.122 1.00 13.41 C ATOM 931 CE LYS A 494 -5.285 2.915 19.219 1.00 72.21 C ATOM 932 NZ LYS A 494 -3.867 3.366 19.202 1.00 61.40 N ATOM 0 H LYS A 494 -8.011 2.741 15.280 1.00 30.50 H new ATOM 0 HA LYS A 494 -6.416 1.205 15.453 1.00 41.44 H new ATOM 0 HB2 LYS A 494 -8.254 -0.201 17.443 1.00 42.22 H new ATOM 0 HB3 LYS A 494 -6.535 -0.486 17.258 1.00 42.22 H new ATOM 0 HG2 LYS A 494 -7.714 2.199 18.081 1.00 13.44 H new ATOM 0 HG3 LYS A 494 -7.189 0.979 19.225 1.00 13.44 H new ATOM 0 HD2 LYS A 494 -4.886 1.062 18.197 1.00 13.41 H new ATOM 0 HD3 LYS A 494 -5.431 2.353 17.145 1.00 13.41 H new ATOM 0 HE2 LYS A 494 -5.939 3.778 19.098 1.00 72.21 H new ATOM 0 HE3 LYS A 494 -5.512 2.477 20.191 1.00 72.21 H new ATOM 0 HZ1 LYS A 494 -3.664 3.907 20.067 1.00 61.40 H new ATOM 0 HZ2 LYS A 494 -3.240 2.538 19.157 1.00 61.40 H new ATOM 0 HZ3 LYS A 494 -3.704 3.969 18.370 1.00 61.40 H new ATOM 946 N GLU A 495 -8.444 -0.110 13.715 1.00 22.05 N ATOM 947 CA GLU A 495 -8.882 -1.155 12.777 1.00 15.44 C ATOM 948 C GLU A 495 -7.892 -1.352 11.610 1.00 40.20 C ATOM 949 O GLU A 495 -7.155 -0.433 11.247 1.00 60.02 O ATOM 950 CB GLU A 495 -10.267 -0.792 12.228 1.00 3.24 C ATOM 951 CG GLU A 495 -10.917 -1.893 11.402 1.00 15.22 C ATOM 952 CD GLU A 495 -11.098 -3.176 12.195 1.00 5.22 C ATOM 953 OE1 GLU A 495 -11.941 -3.195 13.113 1.00 54.51 O ATOM 954 OE2 GLU A 495 -10.383 -4.164 11.921 1.00 65.44 O ATOM 0 H GLU A 495 -8.779 0.826 13.484 1.00 22.05 H new ATOM 0 HA GLU A 495 -8.924 -2.097 13.325 1.00 15.44 H new ATOM 0 HB2 GLU A 495 -10.923 -0.543 13.062 1.00 3.24 H new ATOM 0 HB3 GLU A 495 -10.179 0.104 11.614 1.00 3.24 H new ATOM 0 HG2 GLU A 495 -11.887 -1.550 11.043 1.00 15.22 H new ATOM 0 HG3 GLU A 495 -10.305 -2.095 10.523 1.00 15.22 H new ATOM 961 N GLU A 496 -7.894 -2.556 11.023 1.00 12.35 N ATOM 962 CA GLU A 496 -7.039 -2.876 9.867 1.00 54.25 C ATOM 963 C GLU A 496 -7.813 -3.632 8.771 1.00 30.34 C ATOM 964 O GLU A 496 -8.692 -4.444 9.064 1.00 44.54 O ATOM 965 CB GLU A 496 -5.836 -3.736 10.296 1.00 70.21 C ATOM 966 CG GLU A 496 -4.976 -4.212 9.118 1.00 30.23 C ATOM 967 CD GLU A 496 -3.918 -5.234 9.508 1.00 30.24 C ATOM 968 OE1 GLU A 496 -4.282 -6.284 10.077 1.00 14.40 O ATOM 969 OE2 GLU A 496 -2.724 -4.999 9.234 1.00 15.24 O ATOM 0 H GLU A 496 -8.482 -3.331 11.331 1.00 12.35 H new ATOM 0 HA GLU A 496 -6.694 -1.924 9.464 1.00 54.25 H new ATOM 0 HB2 GLU A 496 -5.214 -3.161 10.981 1.00 70.21 H new ATOM 0 HB3 GLU A 496 -6.198 -4.605 10.846 1.00 70.21 H new ATOM 0 HG2 GLU A 496 -5.625 -4.646 8.358 1.00 30.23 H new ATOM 0 HG3 GLU A 496 -4.486 -3.350 8.665 1.00 30.23 H new ATOM 976 N LYS A 497 -7.467 -3.361 7.513 1.00 11.33 N ATOM 977 CA LYS A 497 -7.968 -4.131 6.366 1.00 41.10 C ATOM 978 C LYS A 497 -6.787 -4.720 5.575 1.00 62.24 C ATOM 979 O LYS A 497 -5.840 -4.006 5.235 1.00 12.14 O ATOM 980 CB LYS A 497 -8.814 -3.242 5.437 1.00 73.21 C ATOM 981 CG LYS A 497 -10.035 -2.612 6.104 1.00 30.52 C ATOM 982 CD LYS A 497 -11.100 -3.643 6.474 1.00 34.12 C ATOM 983 CE LYS A 497 -11.756 -4.254 5.239 1.00 72.13 C ATOM 984 NZ LYS A 497 -12.885 -5.149 5.602 1.00 74.01 N ATOM 0 H LYS A 497 -6.833 -2.604 7.256 1.00 11.33 H new ATOM 0 HA LYS A 497 -8.595 -4.938 6.745 1.00 41.10 H new ATOM 0 HB2 LYS A 497 -8.182 -2.448 5.040 1.00 73.21 H new ATOM 0 HB3 LYS A 497 -9.147 -3.839 4.588 1.00 73.21 H new ATOM 0 HG2 LYS A 497 -9.720 -2.082 7.003 1.00 30.52 H new ATOM 0 HG3 LYS A 497 -10.469 -1.871 5.433 1.00 30.52 H new ATOM 0 HD2 LYS A 497 -10.647 -4.433 7.073 1.00 34.12 H new ATOM 0 HD3 LYS A 497 -11.862 -3.171 7.094 1.00 34.12 H new ATOM 0 HE2 LYS A 497 -12.117 -3.458 4.588 1.00 72.13 H new ATOM 0 HE3 LYS A 497 -11.013 -4.816 4.673 1.00 72.13 H new ATOM 0 HZ1 LYS A 497 -13.306 -5.545 4.737 1.00 74.01 H new ATOM 0 HZ2 LYS A 497 -12.535 -5.922 6.203 1.00 74.01 H new ATOM 0 HZ3 LYS A 497 -13.605 -4.607 6.120 1.00 74.01 H new ATOM 998 N VAL A 498 -6.835 -6.021 5.289 1.00 62.12 N ATOM 999 CA VAL A 498 -5.768 -6.681 4.523 1.00 73.32 C ATOM 1000 C VAL A 498 -6.171 -6.864 3.054 1.00 24.21 C ATOM 1001 O VAL A 498 -7.136 -7.560 2.740 1.00 10.30 O ATOM 1002 CB VAL A 498 -5.400 -8.061 5.127 1.00 63.12 C ATOM 1003 CG1 VAL A 498 -4.262 -8.712 4.341 1.00 11.34 C ATOM 1004 CG2 VAL A 498 -5.030 -7.923 6.604 1.00 13.34 C ATOM 0 H VAL A 498 -7.595 -6.639 5.573 1.00 62.12 H new ATOM 0 HA VAL A 498 -4.895 -6.030 4.577 1.00 73.32 H new ATOM 0 HB VAL A 498 -6.274 -8.708 5.054 1.00 63.12 H new ATOM 0 HG11 VAL A 498 -4.021 -9.679 4.783 1.00 11.34 H new ATOM 0 HG12 VAL A 498 -4.570 -8.853 3.305 1.00 11.34 H new ATOM 0 HG13 VAL A 498 -3.383 -8.069 4.374 1.00 11.34 H new ATOM 0 HG21 VAL A 498 -4.775 -8.903 7.008 1.00 13.34 H new ATOM 0 HG22 VAL A 498 -4.174 -7.255 6.704 1.00 13.34 H new ATOM 0 HG23 VAL A 498 -5.877 -7.512 7.154 1.00 13.34 H new ATOM 1014 N LEU A 499 -5.423 -6.225 2.160 1.00 54.31 N ATOM 1015 CA LEU A 499 -5.695 -6.277 0.719 1.00 21.11 C ATOM 1016 C LEU A 499 -4.665 -7.159 -0.006 1.00 15.34 C ATOM 1017 O LEU A 499 -3.503 -7.215 0.390 1.00 32.22 O ATOM 1018 CB LEU A 499 -5.657 -4.851 0.146 1.00 12.10 C ATOM 1019 CG LEU A 499 -6.577 -3.835 0.847 1.00 20.00 C ATOM 1020 CD1 LEU A 499 -6.323 -2.424 0.323 1.00 3.32 C ATOM 1021 CD2 LEU A 499 -8.045 -4.221 0.669 1.00 44.31 C ATOM 0 H LEU A 499 -4.613 -5.657 2.408 1.00 54.31 H new ATOM 0 HA LEU A 499 -6.682 -6.714 0.564 1.00 21.11 H new ATOM 0 HB2 LEU A 499 -4.632 -4.484 0.197 1.00 12.10 H new ATOM 0 HB3 LEU A 499 -5.928 -4.894 -0.909 1.00 12.10 H new ATOM 0 HG LEU A 499 -6.348 -3.849 1.913 1.00 20.00 H new ATOM 0 HD11 LEU A 499 -6.984 -1.722 0.832 1.00 3.32 H new ATOM 0 HD12 LEU A 499 -5.286 -2.147 0.511 1.00 3.32 H new ATOM 0 HD13 LEU A 499 -6.518 -2.393 -0.749 1.00 3.32 H new ATOM 0 HD21 LEU A 499 -8.677 -3.489 1.172 1.00 44.31 H new ATOM 0 HD22 LEU A 499 -8.289 -4.242 -0.393 1.00 44.31 H new ATOM 0 HD23 LEU A 499 -8.217 -5.207 1.101 1.00 44.31 H new ATOM 1033 N THR A 500 -5.094 -7.849 -1.061 1.00 12.33 N ATOM 1034 CA THR A 500 -4.189 -8.677 -1.878 1.00 23.13 C ATOM 1035 C THR A 500 -4.288 -8.324 -3.365 1.00 24.13 C ATOM 1036 O THR A 500 -5.353 -7.950 -3.859 1.00 23.44 O ATOM 1037 CB THR A 500 -4.475 -10.196 -1.722 1.00 62.22 C ATOM 1038 OG1 THR A 500 -5.878 -10.460 -1.875 1.00 13.04 O ATOM 1039 CG2 THR A 500 -3.995 -10.727 -0.374 1.00 71.10 C ATOM 0 H THR A 500 -6.064 -7.855 -1.376 1.00 12.33 H new ATOM 0 HA THR A 500 -3.186 -8.461 -1.510 1.00 23.13 H new ATOM 0 HB THR A 500 -3.921 -10.713 -2.505 1.00 62.22 H new ATOM 0 HG1 THR A 500 -6.043 -11.421 -1.776 1.00 13.04 H new ATOM 0 HG21 THR A 500 -4.213 -11.793 -0.304 1.00 71.10 H new ATOM 0 HG22 THR A 500 -2.920 -10.570 -0.283 1.00 71.10 H new ATOM 0 HG23 THR A 500 -4.508 -10.198 0.429 1.00 71.10 H new ATOM 1047 N PHE A 501 -3.169 -8.444 -4.070 1.00 20.35 N ATOM 1048 CA PHE A 501 -3.140 -8.258 -5.522 1.00 31.02 C ATOM 1049 C PHE A 501 -2.076 -9.160 -6.162 1.00 12.35 C ATOM 1050 O PHE A 501 -1.050 -9.465 -5.546 1.00 11.21 O ATOM 1051 CB PHE A 501 -2.890 -6.781 -5.883 1.00 23.23 C ATOM 1052 CG PHE A 501 -1.562 -6.226 -5.406 1.00 53.22 C ATOM 1053 CD1 PHE A 501 -1.425 -5.717 -4.119 1.00 12.11 C ATOM 1054 CD2 PHE A 501 -0.456 -6.203 -6.247 1.00 22.05 C ATOM 1055 CE1 PHE A 501 -0.218 -5.200 -3.687 1.00 61.32 C ATOM 1056 CE2 PHE A 501 0.753 -5.688 -5.817 1.00 21.44 C ATOM 1057 CZ PHE A 501 0.872 -5.186 -4.537 1.00 62.34 C ATOM 0 H PHE A 501 -2.263 -8.671 -3.660 1.00 20.35 H new ATOM 0 HA PHE A 501 -4.115 -8.542 -5.919 1.00 31.02 H new ATOM 0 HB2 PHE A 501 -2.945 -6.672 -6.966 1.00 23.23 H new ATOM 0 HB3 PHE A 501 -3.693 -6.177 -5.460 1.00 23.23 H new ATOM 0 HD1 PHE A 501 -2.272 -5.726 -3.449 1.00 12.11 H new ATOM 0 HD2 PHE A 501 -0.542 -6.593 -7.251 1.00 22.05 H new ATOM 0 HE1 PHE A 501 -0.127 -4.807 -2.685 1.00 61.32 H new ATOM 0 HE2 PHE A 501 1.604 -5.679 -6.482 1.00 21.44 H new ATOM 0 HZ PHE A 501 1.815 -4.783 -4.200 1.00 62.34 H new ATOM 1067 N SER A 502 -2.327 -9.596 -7.393 1.00 75.43 N ATOM 1068 CA SER A 502 -1.400 -10.486 -8.100 1.00 24.13 C ATOM 1069 C SER A 502 -0.764 -9.787 -9.308 1.00 72.32 C ATOM 1070 O SER A 502 -1.434 -9.478 -10.293 1.00 4.10 O ATOM 1071 CB SER A 502 -2.127 -11.757 -8.553 1.00 14.13 C ATOM 1072 OG SER A 502 -3.242 -11.453 -9.383 1.00 44.31 O ATOM 0 H SER A 502 -3.162 -9.350 -7.924 1.00 75.43 H new ATOM 0 HA SER A 502 -0.603 -10.755 -7.407 1.00 24.13 H new ATOM 0 HB2 SER A 502 -1.434 -12.400 -9.095 1.00 14.13 H new ATOM 0 HB3 SER A 502 -2.464 -12.315 -7.680 1.00 14.13 H new ATOM 0 HG SER A 502 -3.005 -10.727 -9.997 1.00 44.31 H new ATOM 1078 N TRP A 503 0.545 -9.581 -9.229 1.00 71.33 N ATOM 1079 CA TRP A 503 1.299 -8.854 -10.251 1.00 51.24 C ATOM 1080 C TRP A 503 2.150 -9.810 -11.105 1.00 30.21 C ATOM 1081 O TRP A 503 2.764 -10.745 -10.586 1.00 3.41 O ATOM 1082 CB TRP A 503 2.187 -7.804 -9.561 1.00 23.20 C ATOM 1083 CG TRP A 503 3.046 -7.004 -10.496 1.00 70.43 C ATOM 1084 CD1 TRP A 503 2.639 -6.297 -11.590 1.00 60.05 C ATOM 1085 CD2 TRP A 503 4.462 -6.805 -10.394 1.00 24.52 C ATOM 1086 NE1 TRP A 503 3.714 -5.682 -12.182 1.00 71.45 N ATOM 1087 CE2 TRP A 503 4.846 -5.980 -11.466 1.00 1.13 C ATOM 1088 CE3 TRP A 503 5.440 -7.253 -9.500 1.00 25.41 C ATOM 1089 CZ2 TRP A 503 6.169 -5.588 -11.666 1.00 14.10 C ATOM 1090 CZ3 TRP A 503 6.750 -6.865 -9.698 1.00 41.13 C ATOM 1091 CH2 TRP A 503 7.105 -6.040 -10.774 1.00 75.25 C ATOM 0 H TRP A 503 1.118 -9.913 -8.453 1.00 71.33 H new ATOM 0 HA TRP A 503 0.599 -8.358 -10.924 1.00 51.24 H new ATOM 0 HB2 TRP A 503 1.550 -7.121 -8.999 1.00 23.20 H new ATOM 0 HB3 TRP A 503 2.830 -8.308 -8.839 1.00 23.20 H new ATOM 0 HD1 TRP A 503 1.619 -6.231 -11.939 1.00 60.05 H new ATOM 0 HE1 TRP A 503 3.677 -5.099 -13.018 1.00 71.45 H new ATOM 0 HE3 TRP A 503 5.175 -7.891 -8.670 1.00 25.41 H new ATOM 0 HZ2 TRP A 503 6.446 -4.952 -12.494 1.00 14.10 H new ATOM 0 HZ3 TRP A 503 7.514 -7.203 -9.013 1.00 41.13 H new ATOM 0 HH2 TRP A 503 8.139 -5.755 -10.903 1.00 75.25 H new ATOM 1102 N THR A 504 2.158 -9.589 -12.422 1.00 4.02 N ATOM 1103 CA THR A 504 2.964 -10.401 -13.348 1.00 21.23 C ATOM 1104 C THR A 504 3.988 -9.533 -14.099 1.00 31.34 C ATOM 1105 O THR A 504 3.640 -8.841 -15.060 1.00 1.13 O ATOM 1106 CB THR A 504 2.074 -11.139 -14.385 1.00 33.34 C ATOM 1107 OG1 THR A 504 1.139 -12.000 -13.713 1.00 30.54 O ATOM 1108 CG2 THR A 504 2.916 -11.968 -15.354 1.00 63.34 C ATOM 0 H THR A 504 1.615 -8.854 -12.875 1.00 4.02 H new ATOM 0 HA THR A 504 3.488 -11.139 -12.741 1.00 21.23 H new ATOM 0 HB THR A 504 1.535 -10.382 -14.955 1.00 33.34 H new ATOM 0 HG1 THR A 504 0.582 -12.459 -14.376 1.00 30.54 H new ATOM 0 HG21 THR A 504 2.262 -12.471 -16.066 1.00 63.34 H new ATOM 0 HG22 THR A 504 3.602 -11.313 -15.892 1.00 63.34 H new ATOM 0 HG23 THR A 504 3.486 -12.712 -14.797 1.00 63.34 H new ATOM 1116 N PRO A 505 5.264 -9.548 -13.667 1.00 13.21 N ATOM 1117 CA PRO A 505 6.330 -8.770 -14.316 1.00 70.33 C ATOM 1118 C PRO A 505 6.924 -9.464 -15.555 1.00 53.41 C ATOM 1119 O PRO A 505 7.643 -10.455 -15.440 1.00 11.30 O ATOM 1120 CB PRO A 505 7.377 -8.655 -13.206 1.00 31.14 C ATOM 1121 CG PRO A 505 7.224 -9.911 -12.410 1.00 63.23 C ATOM 1122 CD PRO A 505 5.767 -10.299 -12.495 1.00 72.42 C ATOM 0 HA PRO A 505 5.966 -7.816 -14.698 1.00 70.33 H new ATOM 0 HB2 PRO A 505 8.383 -8.567 -13.617 1.00 31.14 H new ATOM 0 HB3 PRO A 505 7.206 -7.772 -12.590 1.00 31.14 H new ATOM 0 HG2 PRO A 505 7.860 -10.702 -12.808 1.00 63.23 H new ATOM 0 HG3 PRO A 505 7.523 -9.752 -11.374 1.00 63.23 H new ATOM 0 HD2 PRO A 505 5.647 -11.374 -12.629 1.00 72.42 H new ATOM 0 HD3 PRO A 505 5.228 -10.029 -11.587 1.00 72.42 H new ATOM 1130 N THR A 506 6.622 -8.937 -16.739 1.00 2.02 N ATOM 1131 CA THR A 506 7.125 -9.509 -18.002 1.00 4.52 C ATOM 1132 C THR A 506 8.526 -8.985 -18.357 1.00 11.04 C ATOM 1133 O THR A 506 9.194 -9.524 -19.242 1.00 73.14 O ATOM 1134 CB THR A 506 6.176 -9.198 -19.183 1.00 5.11 C ATOM 1135 OG1 THR A 506 6.100 -7.779 -19.390 1.00 70.43 O ATOM 1136 CG2 THR A 506 4.778 -9.753 -18.922 1.00 32.42 C ATOM 0 H THR A 506 6.031 -8.114 -16.859 1.00 2.02 H new ATOM 0 HA THR A 506 7.175 -10.586 -17.842 1.00 4.52 H new ATOM 0 HB THR A 506 6.577 -9.677 -20.076 1.00 5.11 H new ATOM 0 HG1 THR A 506 5.499 -7.590 -20.140 1.00 70.43 H new ATOM 0 HG21 THR A 506 4.131 -9.521 -19.768 1.00 32.42 H new ATOM 0 HG22 THR A 506 4.834 -10.834 -18.794 1.00 32.42 H new ATOM 0 HG23 THR A 506 4.370 -9.301 -18.018 1.00 32.42 H new ATOM 1144 N GLN A 507 8.963 -7.926 -17.675 1.00 14.13 N ATOM 1145 CA GLN A 507 10.296 -7.349 -17.895 1.00 72.34 C ATOM 1146 C GLN A 507 11.192 -7.532 -16.658 1.00 41.14 C ATOM 1147 O GLN A 507 10.761 -7.289 -15.527 1.00 42.43 O ATOM 1148 CB GLN A 507 10.173 -5.856 -18.229 1.00 35.43 C ATOM 1149 CG GLN A 507 11.502 -5.187 -18.580 1.00 62.21 C ATOM 1150 CD GLN A 507 11.390 -3.677 -18.729 1.00 1.21 C ATOM 1151 OE1 GLN A 507 12.081 -3.067 -19.537 1.00 13.05 O ATOM 1152 NE2 GLN A 507 10.555 -3.055 -17.920 1.00 75.41 N ATOM 0 H GLN A 507 8.413 -7.446 -16.962 1.00 14.13 H new ATOM 0 HA GLN A 507 10.757 -7.873 -18.732 1.00 72.34 H new ATOM 0 HB2 GLN A 507 9.485 -5.737 -19.066 1.00 35.43 H new ATOM 0 HB3 GLN A 507 9.731 -5.339 -17.377 1.00 35.43 H new ATOM 0 HG2 GLN A 507 12.233 -5.416 -17.805 1.00 62.21 H new ATOM 0 HG3 GLN A 507 11.881 -5.611 -19.510 1.00 62.21 H new ATOM 0 HE21 GLN A 507 9.993 -3.590 -17.258 1.00 75.41 H new ATOM 0 HE22 GLN A 507 10.471 -2.039 -17.956 1.00 75.41 H new ATOM 1161 N GLU A 508 12.435 -7.949 -16.880 1.00 31.43 N ATOM 1162 CA GLU A 508 13.401 -8.148 -15.790 1.00 14.41 C ATOM 1163 C GLU A 508 13.961 -6.816 -15.251 1.00 61.23 C ATOM 1164 O GLU A 508 14.026 -5.809 -15.959 1.00 11.43 O ATOM 1165 CB GLU A 508 14.544 -9.093 -16.229 1.00 51.05 C ATOM 1166 CG GLU A 508 15.046 -8.895 -17.663 1.00 33.23 C ATOM 1167 CD GLU A 508 15.633 -7.518 -17.925 1.00 72.50 C ATOM 1168 OE1 GLU A 508 16.750 -7.235 -17.438 1.00 42.11 O ATOM 1169 OE2 GLU A 508 14.982 -6.716 -18.628 1.00 22.01 O ATOM 0 H GLU A 508 12.804 -8.158 -17.808 1.00 31.43 H new ATOM 0 HA GLU A 508 12.861 -8.619 -14.969 1.00 14.41 H new ATOM 0 HB2 GLU A 508 15.384 -8.961 -15.547 1.00 51.05 H new ATOM 0 HB3 GLU A 508 14.203 -10.123 -16.120 1.00 51.05 H new ATOM 0 HG2 GLU A 508 15.803 -9.649 -17.880 1.00 33.23 H new ATOM 0 HG3 GLU A 508 14.220 -9.064 -18.353 1.00 33.23 H new ATOM 1176 N GLY A 509 14.338 -6.820 -13.975 1.00 22.32 N ATOM 1177 CA GLY A 509 14.869 -5.621 -13.330 1.00 23.52 C ATOM 1178 C GLY A 509 14.286 -5.399 -11.938 1.00 0.21 C ATOM 1179 O GLY A 509 13.409 -6.144 -11.499 1.00 13.14 O ATOM 0 H GLY A 509 14.286 -7.638 -13.368 1.00 22.32 H new ATOM 0 HA2 GLY A 509 15.954 -5.702 -13.257 1.00 23.52 H new ATOM 0 HA3 GLY A 509 14.655 -4.752 -13.953 1.00 23.52 H new ATOM 1183 N MET A 510 14.772 -4.380 -11.234 1.00 51.41 N ATOM 1184 CA MET A 510 14.260 -4.065 -9.898 1.00 20.44 C ATOM 1185 C MET A 510 13.059 -3.109 -9.965 1.00 64.33 C ATOM 1186 O MET A 510 13.117 -2.055 -10.602 1.00 22.32 O ATOM 1187 CB MET A 510 15.366 -3.468 -9.017 1.00 20.51 C ATOM 1188 CG MET A 510 16.536 -4.415 -8.776 1.00 65.02 C ATOM 1189 SD MET A 510 17.638 -3.836 -7.469 1.00 53.20 S ATOM 1190 CE MET A 510 16.517 -3.827 -6.068 1.00 34.53 C ATOM 0 H MET A 510 15.514 -3.761 -11.561 1.00 51.41 H new ATOM 0 HA MET A 510 13.922 -4.999 -9.450 1.00 20.44 H new ATOM 0 HB2 MET A 510 15.738 -2.556 -9.485 1.00 20.51 H new ATOM 0 HB3 MET A 510 14.938 -3.182 -8.056 1.00 20.51 H new ATOM 0 HG2 MET A 510 16.153 -5.401 -8.513 1.00 65.02 H new ATOM 0 HG3 MET A 510 17.103 -4.529 -9.700 1.00 65.02 H new ATOM 0 HE1 MET A 510 17.027 -4.227 -5.191 1.00 34.53 H new ATOM 0 HE2 MET A 510 16.195 -2.805 -5.866 1.00 34.53 H new ATOM 0 HE3 MET A 510 15.647 -4.444 -6.294 1.00 34.53 H new ATOM 1200 N TYR A 511 11.969 -3.490 -9.305 1.00 60.04 N ATOM 1201 CA TYR A 511 10.752 -2.676 -9.260 1.00 24.40 C ATOM 1202 C TYR A 511 10.401 -2.302 -7.814 1.00 43.04 C ATOM 1203 O TYR A 511 10.170 -3.173 -6.974 1.00 24.23 O ATOM 1204 CB TYR A 511 9.579 -3.435 -9.898 1.00 44.42 C ATOM 1205 CG TYR A 511 9.742 -3.703 -11.386 1.00 60.42 C ATOM 1206 CD1 TYR A 511 10.613 -4.682 -11.850 1.00 3.11 C ATOM 1207 CD2 TYR A 511 9.016 -2.976 -12.326 1.00 11.41 C ATOM 1208 CE1 TYR A 511 10.757 -4.927 -13.201 1.00 53.14 C ATOM 1209 CE2 TYR A 511 9.155 -3.219 -13.679 1.00 53.33 C ATOM 1210 CZ TYR A 511 10.027 -4.193 -14.110 1.00 13.42 C ATOM 1211 OH TYR A 511 10.169 -4.439 -15.454 1.00 42.23 O ATOM 0 H TYR A 511 11.901 -4.367 -8.788 1.00 60.04 H new ATOM 0 HA TYR A 511 10.935 -1.761 -9.823 1.00 24.40 H new ATOM 0 HB2 TYR A 511 9.453 -4.386 -9.381 1.00 44.42 H new ATOM 0 HB3 TYR A 511 8.664 -2.864 -9.742 1.00 44.42 H new ATOM 0 HD1 TYR A 511 11.187 -5.261 -11.141 1.00 3.11 H new ATOM 0 HD2 TYR A 511 8.333 -2.209 -11.992 1.00 11.41 H new ATOM 0 HE1 TYR A 511 11.439 -5.691 -13.544 1.00 53.14 H new ATOM 0 HE2 TYR A 511 8.582 -2.648 -14.395 1.00 53.33 H new ATOM 0 HH TYR A 511 10.514 -5.347 -15.586 1.00 42.23 H new ATOM 1221 N ARG A 512 10.367 -1.007 -7.526 1.00 22.23 N ATOM 1222 CA ARG A 512 10.015 -0.523 -6.188 1.00 32.13 C ATOM 1223 C ARG A 512 8.510 -0.229 -6.091 1.00 45.31 C ATOM 1224 O ARG A 512 7.993 0.669 -6.759 1.00 44.33 O ATOM 1225 CB ARG A 512 10.836 0.730 -5.841 1.00 31.25 C ATOM 1226 CG ARG A 512 10.472 1.356 -4.495 1.00 40.55 C ATOM 1227 CD ARG A 512 11.438 2.470 -4.094 1.00 4.23 C ATOM 1228 NE ARG A 512 11.575 3.495 -5.127 1.00 54.00 N ATOM 1229 CZ ARG A 512 10.870 4.599 -5.170 1.00 63.41 C ATOM 1230 NH1 ARG A 512 9.918 4.804 -4.321 1.00 35.10 N ATOM 1231 NH2 ARG A 512 11.115 5.486 -6.076 1.00 2.54 N ATOM 0 H ARG A 512 10.578 -0.269 -8.198 1.00 22.23 H new ATOM 0 HA ARG A 512 10.253 -1.305 -5.466 1.00 32.13 H new ATOM 0 HB2 ARG A 512 11.894 0.469 -5.835 1.00 31.25 H new ATOM 0 HB3 ARG A 512 10.696 1.473 -6.626 1.00 31.25 H new ATOM 0 HG2 ARG A 512 9.459 1.757 -4.545 1.00 40.55 H new ATOM 0 HG3 ARG A 512 10.472 0.584 -3.726 1.00 40.55 H new ATOM 0 HD2 ARG A 512 11.089 2.934 -3.171 1.00 4.23 H new ATOM 0 HD3 ARG A 512 12.417 2.039 -3.883 1.00 4.23 H new ATOM 0 HE ARG A 512 12.265 3.341 -5.863 1.00 54.00 H new ATOM 0 HH11 ARG A 512 9.710 4.104 -3.609 1.00 35.10 H new ATOM 0 HH12 ARG A 512 9.375 5.666 -4.362 1.00 35.10 H new ATOM 0 HH21 ARG A 512 11.857 5.327 -6.758 1.00 2.54 H new ATOM 0 HH22 ARG A 512 10.567 6.345 -6.110 1.00 2.54 H new ATOM 1245 N ILE A 513 7.817 -1.002 -5.262 1.00 2.41 N ATOM 1246 CA ILE A 513 6.373 -0.852 -5.070 1.00 42.14 C ATOM 1247 C ILE A 513 6.060 -0.042 -3.801 1.00 33.11 C ATOM 1248 O ILE A 513 6.497 -0.393 -2.700 1.00 60.25 O ATOM 1249 CB ILE A 513 5.683 -2.238 -4.977 1.00 70.21 C ATOM 1250 CG1 ILE A 513 6.009 -3.084 -6.223 1.00 70.21 C ATOM 1251 CG2 ILE A 513 4.169 -2.080 -4.809 1.00 33.11 C ATOM 1252 CD1 ILE A 513 5.414 -4.479 -6.200 1.00 21.24 C ATOM 0 H ILE A 513 8.235 -1.748 -4.705 1.00 2.41 H new ATOM 0 HA ILE A 513 5.986 -0.314 -5.935 1.00 42.14 H new ATOM 0 HB ILE A 513 6.068 -2.756 -4.099 1.00 70.21 H new ATOM 0 HG12 ILE A 513 5.647 -2.561 -7.108 1.00 70.21 H new ATOM 0 HG13 ILE A 513 7.092 -3.164 -6.321 1.00 70.21 H new ATOM 0 HG21 ILE A 513 3.705 -3.064 -4.746 1.00 33.11 H new ATOM 0 HG22 ILE A 513 3.961 -1.521 -3.896 1.00 33.11 H new ATOM 0 HG23 ILE A 513 3.762 -1.541 -5.665 1.00 33.11 H new ATOM 0 HD11 ILE A 513 5.691 -5.008 -7.112 1.00 21.24 H new ATOM 0 HD12 ILE A 513 5.795 -5.023 -5.336 1.00 21.24 H new ATOM 0 HD13 ILE A 513 4.328 -4.410 -6.135 1.00 21.24 H new ATOM 1264 N ASN A 514 5.310 1.045 -3.961 1.00 45.34 N ATOM 1265 CA ASN A 514 4.919 1.896 -2.831 1.00 24.44 C ATOM 1266 C ASN A 514 3.393 1.990 -2.689 1.00 72.32 C ATOM 1267 O ASN A 514 2.675 2.146 -3.677 1.00 24.55 O ATOM 1268 CB ASN A 514 5.506 3.302 -2.993 1.00 45.21 C ATOM 1269 CG ASN A 514 7.014 3.327 -2.828 1.00 50.54 C ATOM 1270 OD1 ASN A 514 7.765 3.217 -3.790 1.00 63.13 O ATOM 1271 ND2 ASN A 514 7.471 3.458 -1.601 1.00 63.14 N ATOM 0 H ASN A 514 4.958 1.362 -4.864 1.00 45.34 H new ATOM 0 HA ASN A 514 5.317 1.435 -1.927 1.00 24.44 H new ATOM 0 HB2 ASN A 514 5.245 3.689 -3.978 1.00 45.21 H new ATOM 0 HB3 ASN A 514 5.053 3.968 -2.259 1.00 45.21 H new ATOM 0 HD21 ASN A 514 8.476 3.470 -1.430 1.00 63.14 H new ATOM 0 HD22 ASN A 514 6.820 3.547 -0.821 1.00 63.14 H new ATOM 1278 N ALA A 515 2.908 1.897 -1.452 1.00 52.24 N ATOM 1279 CA ALA A 515 1.477 2.060 -1.162 1.00 45.15 C ATOM 1280 C ALA A 515 1.224 3.340 -0.357 1.00 62.11 C ATOM 1281 O ALA A 515 2.032 3.722 0.492 1.00 72.23 O ATOM 1282 CB ALA A 515 0.930 0.851 -0.410 1.00 14.42 C ATOM 0 H ALA A 515 3.483 1.709 -0.631 1.00 52.24 H new ATOM 0 HA ALA A 515 0.954 2.140 -2.115 1.00 45.15 H new ATOM 0 HB1 ALA A 515 -0.131 0.998 -0.208 1.00 14.42 H new ATOM 0 HB2 ALA A 515 1.064 -0.045 -1.016 1.00 14.42 H new ATOM 0 HB3 ALA A 515 1.466 0.735 0.532 1.00 14.42 H new ATOM 1288 N THR A 516 0.104 3.996 -0.634 1.00 4.01 N ATOM 1289 CA THR A 516 -0.257 5.259 0.021 1.00 2.24 C ATOM 1290 C THR A 516 -1.698 5.228 0.541 1.00 65.30 C ATOM 1291 O THR A 516 -2.525 4.452 0.057 1.00 34.32 O ATOM 1292 CB THR A 516 -0.139 6.449 -0.961 1.00 64.01 C ATOM 1293 OG1 THR A 516 -1.105 6.299 -2.015 1.00 34.52 O ATOM 1294 CG2 THR A 516 1.262 6.542 -1.560 1.00 73.41 C ATOM 0 H THR A 516 -0.582 3.673 -1.316 1.00 4.01 H new ATOM 0 HA THR A 516 0.436 5.384 0.853 1.00 2.24 H new ATOM 0 HB THR A 516 -0.331 7.367 -0.406 1.00 64.01 H new ATOM 0 HG1 THR A 516 -0.644 6.092 -2.854 1.00 34.52 H new ATOM 0 HG21 THR A 516 1.309 7.389 -2.245 1.00 73.41 H new ATOM 0 HG22 THR A 516 1.991 6.680 -0.761 1.00 73.41 H new ATOM 0 HG23 THR A 516 1.488 5.624 -2.102 1.00 73.41 H new ATOM 1302 N VAL A 517 -1.999 6.069 1.531 1.00 62.34 N ATOM 1303 CA VAL A 517 -3.380 6.258 1.982 1.00 72.34 C ATOM 1304 C VAL A 517 -3.743 7.756 2.073 1.00 31.22 C ATOM 1305 O VAL A 517 -2.936 8.579 2.506 1.00 13.31 O ATOM 1306 CB VAL A 517 -3.638 5.559 3.343 1.00 51.22 C ATOM 1307 CG1 VAL A 517 -2.703 6.089 4.422 1.00 11.42 C ATOM 1308 CG2 VAL A 517 -5.097 5.709 3.762 1.00 2.00 C ATOM 0 H VAL A 517 -1.310 6.628 2.034 1.00 62.34 H new ATOM 0 HA VAL A 517 -4.024 5.793 1.235 1.00 72.34 H new ATOM 0 HB VAL A 517 -3.429 4.497 3.217 1.00 51.22 H new ATOM 0 HG11 VAL A 517 -2.908 5.580 5.364 1.00 11.42 H new ATOM 0 HG12 VAL A 517 -1.669 5.907 4.129 1.00 11.42 H new ATOM 0 HG13 VAL A 517 -2.861 7.160 4.547 1.00 11.42 H new ATOM 0 HG21 VAL A 517 -5.254 5.211 4.719 1.00 2.00 H new ATOM 0 HG22 VAL A 517 -5.341 6.767 3.859 1.00 2.00 H new ATOM 0 HG23 VAL A 517 -5.741 5.256 3.008 1.00 2.00 H new ATOM 1318 N ASP A 518 -4.974 8.078 1.658 1.00 70.33 N ATOM 1319 CA ASP A 518 -5.490 9.459 1.589 1.00 44.20 C ATOM 1320 C ASP A 518 -4.457 10.466 1.043 1.00 2.32 C ATOM 1321 O ASP A 518 -4.044 11.400 1.734 1.00 50.14 O ATOM 1322 CB ASP A 518 -6.041 9.934 2.944 1.00 13.03 C ATOM 1323 CG ASP A 518 -6.819 11.241 2.808 1.00 51.40 C ATOM 1324 OD1 ASP A 518 -7.575 11.391 1.818 1.00 41.22 O ATOM 1325 OD2 ASP A 518 -6.675 12.133 3.666 1.00 53.42 O ATOM 0 H ASP A 518 -5.653 7.380 1.355 1.00 70.33 H new ATOM 0 HA ASP A 518 -6.313 9.427 0.875 1.00 44.20 H new ATOM 0 HB2 ASP A 518 -6.690 9.165 3.363 1.00 13.03 H new ATOM 0 HB3 ASP A 518 -5.217 10.072 3.644 1.00 13.03 H new ATOM 1330 N GLU A 519 -4.039 10.268 -0.204 1.00 0.12 N ATOM 1331 CA GLU A 519 -3.173 11.236 -0.888 1.00 3.34 C ATOM 1332 C GLU A 519 -3.863 12.596 -1.032 1.00 54.03 C ATOM 1333 O GLU A 519 -3.210 13.641 -1.046 1.00 52.13 O ATOM 1334 CB GLU A 519 -2.743 10.721 -2.267 1.00 61.12 C ATOM 1335 CG GLU A 519 -1.756 9.563 -2.205 1.00 4.52 C ATOM 1336 CD GLU A 519 -1.178 9.212 -3.565 1.00 24.33 C ATOM 1337 OE1 GLU A 519 -0.289 9.949 -4.046 1.00 61.14 O ATOM 1338 OE2 GLU A 519 -1.597 8.201 -4.149 1.00 31.12 O ATOM 0 H GLU A 519 -4.282 9.451 -0.764 1.00 0.12 H new ATOM 0 HA GLU A 519 -2.283 11.362 -0.271 1.00 3.34 H new ATOM 0 HB2 GLU A 519 -3.628 10.404 -2.819 1.00 61.12 H new ATOM 0 HB3 GLU A 519 -2.294 11.541 -2.828 1.00 61.12 H new ATOM 0 HG2 GLU A 519 -0.944 9.819 -1.525 1.00 4.52 H new ATOM 0 HG3 GLU A 519 -2.255 8.687 -1.790 1.00 4.52 H new ATOM 1345 N GLU A 520 -5.189 12.574 -1.152 1.00 32.51 N ATOM 1346 CA GLU A 520 -5.975 13.797 -1.354 1.00 34.13 C ATOM 1347 C GLU A 520 -5.940 14.717 -0.124 1.00 54.51 C ATOM 1348 O GLU A 520 -6.417 15.856 -0.183 1.00 53.41 O ATOM 1349 CB GLU A 520 -7.432 13.443 -1.677 1.00 34.44 C ATOM 1350 CG GLU A 520 -7.586 12.407 -2.782 1.00 14.23 C ATOM 1351 CD GLU A 520 -9.029 12.226 -3.225 1.00 12.54 C ATOM 1352 OE1 GLU A 520 -9.924 12.149 -2.361 1.00 1.11 O ATOM 1353 OE2 GLU A 520 -9.274 12.176 -4.446 1.00 41.41 O ATOM 0 H GLU A 520 -5.747 11.721 -1.113 1.00 32.51 H new ATOM 0 HA GLU A 520 -5.525 14.332 -2.190 1.00 34.13 H new ATOM 0 HB2 GLU A 520 -7.914 13.070 -0.773 1.00 34.44 H new ATOM 0 HB3 GLU A 520 -7.960 14.351 -1.968 1.00 34.44 H new ATOM 0 HG2 GLU A 520 -6.982 12.705 -3.639 1.00 14.23 H new ATOM 0 HG3 GLU A 520 -7.195 11.451 -2.434 1.00 14.23 H new ATOM 1360 N ASN A 521 -5.392 14.215 0.987 1.00 42.25 N ATOM 1361 CA ASN A 521 -5.249 14.996 2.221 1.00 25.51 C ATOM 1362 C ASN A 521 -6.608 15.519 2.714 1.00 43.10 C ATOM 1363 O ASN A 521 -6.761 16.704 3.027 1.00 45.51 O ATOM 1364 CB ASN A 521 -4.272 16.162 2.004 1.00 32.42 C ATOM 1365 CG ASN A 521 -2.889 15.695 1.581 1.00 62.22 C ATOM 1366 OD1 ASN A 521 -2.443 14.614 1.948 1.00 4.31 O ATOM 1367 ND2 ASN A 521 -2.198 16.505 0.806 1.00 54.43 N ATOM 0 H ASN A 521 -5.037 13.261 1.057 1.00 42.25 H new ATOM 0 HA ASN A 521 -4.847 14.337 2.990 1.00 25.51 H new ATOM 0 HB2 ASN A 521 -4.674 16.831 1.243 1.00 32.42 H new ATOM 0 HB3 ASN A 521 -4.191 16.739 2.925 1.00 32.42 H new ATOM 0 HD21 ASN A 521 -1.264 16.239 0.494 1.00 54.43 H new ATOM 0 HD22 ASN A 521 -2.597 17.398 0.517 1.00 54.43 H new ATOM 1374 N THR A 522 -7.589 14.625 2.795 1.00 42.24 N ATOM 1375 CA THR A 522 -8.948 14.997 3.218 1.00 15.31 C ATOM 1376 C THR A 522 -9.109 14.926 4.741 1.00 61.23 C ATOM 1377 O THR A 522 -10.098 15.411 5.292 1.00 1.05 O ATOM 1378 CB THR A 522 -10.024 14.102 2.555 1.00 25.20 C ATOM 1379 OG1 THR A 522 -9.862 12.733 2.951 1.00 32.54 O ATOM 1380 CG2 THR A 522 -9.950 14.203 1.035 1.00 3.52 C ATOM 0 H THR A 522 -7.475 13.636 2.575 1.00 42.24 H new ATOM 0 HA THR A 522 -9.094 16.027 2.892 1.00 15.31 H new ATOM 0 HB THR A 522 -11.000 14.456 2.888 1.00 25.20 H new ATOM 0 HG1 THR A 522 -9.103 12.341 2.471 1.00 32.54 H new ATOM 0 HG21 THR A 522 -10.715 13.566 0.590 1.00 3.52 H new ATOM 0 HG22 THR A 522 -10.116 15.236 0.730 1.00 3.52 H new ATOM 0 HG23 THR A 522 -8.966 13.879 0.696 1.00 3.52 H new ATOM 1388 N VAL A 523 -8.135 14.317 5.417 1.00 43.10 N ATOM 1389 CA VAL A 523 -8.132 14.240 6.884 1.00 20.55 C ATOM 1390 C VAL A 523 -6.765 14.660 7.463 1.00 34.15 C ATOM 1391 O VAL A 523 -5.718 14.374 6.882 1.00 14.54 O ATOM 1392 CB VAL A 523 -8.502 12.814 7.375 1.00 61.52 C ATOM 1393 CG1 VAL A 523 -7.486 11.782 6.886 1.00 23.31 C ATOM 1394 CG2 VAL A 523 -8.640 12.775 8.899 1.00 23.21 C ATOM 0 H VAL A 523 -7.334 13.867 4.974 1.00 43.10 H new ATOM 0 HA VAL A 523 -8.889 14.936 7.244 1.00 20.55 H new ATOM 0 HB VAL A 523 -9.470 12.555 6.947 1.00 61.52 H new ATOM 0 HG11 VAL A 523 -7.771 10.793 7.245 1.00 23.31 H new ATOM 0 HG12 VAL A 523 -7.465 11.780 5.796 1.00 23.31 H new ATOM 0 HG13 VAL A 523 -6.497 12.036 7.268 1.00 23.31 H new ATOM 0 HG21 VAL A 523 -8.899 11.765 9.215 1.00 23.21 H new ATOM 0 HG22 VAL A 523 -7.695 13.067 9.357 1.00 23.21 H new ATOM 0 HG23 VAL A 523 -9.424 13.465 9.211 1.00 23.21 H new ATOM 1404 N VAL A 524 -6.786 15.361 8.598 1.00 43.10 N ATOM 1405 CA VAL A 524 -5.551 15.830 9.245 1.00 72.02 C ATOM 1406 C VAL A 524 -4.919 14.724 10.105 1.00 34.44 C ATOM 1407 O VAL A 524 -5.446 14.358 11.155 1.00 43.32 O ATOM 1408 CB VAL A 524 -5.816 17.079 10.125 1.00 22.45 C ATOM 1409 CG1 VAL A 524 -4.533 17.556 10.812 1.00 5.23 C ATOM 1410 CG2 VAL A 524 -6.434 18.199 9.290 1.00 62.21 C ATOM 0 H VAL A 524 -7.641 15.618 9.091 1.00 43.10 H new ATOM 0 HA VAL A 524 -4.857 16.100 8.449 1.00 72.02 H new ATOM 0 HB VAL A 524 -6.524 16.799 10.905 1.00 22.45 H new ATOM 0 HG11 VAL A 524 -4.751 18.433 11.422 1.00 5.23 H new ATOM 0 HG12 VAL A 524 -4.143 16.761 11.447 1.00 5.23 H new ATOM 0 HG13 VAL A 524 -3.791 17.815 10.057 1.00 5.23 H new ATOM 0 HG21 VAL A 524 -6.614 19.068 9.923 1.00 62.21 H new ATOM 0 HG22 VAL A 524 -5.752 18.471 8.485 1.00 62.21 H new ATOM 0 HG23 VAL A 524 -7.378 17.858 8.866 1.00 62.21 H new ATOM 1420 N GLU A 525 -3.777 14.216 9.649 1.00 74.14 N ATOM 1421 CA GLU A 525 -3.103 13.077 10.286 1.00 63.13 C ATOM 1422 C GLU A 525 -2.028 13.526 11.282 1.00 23.24 C ATOM 1423 O GLU A 525 -1.557 14.667 11.246 1.00 53.24 O ATOM 1424 CB GLU A 525 -2.444 12.206 9.207 1.00 74.43 C ATOM 1425 CG GLU A 525 -3.399 11.712 8.125 1.00 34.44 C ATOM 1426 CD GLU A 525 -4.270 10.560 8.593 1.00 61.55 C ATOM 1427 OE1 GLU A 525 -5.337 10.813 9.189 1.00 1.00 O ATOM 1428 OE2 GLU A 525 -3.877 9.400 8.368 1.00 0.01 O ATOM 0 H GLU A 525 -3.290 14.578 8.829 1.00 74.14 H new ATOM 0 HA GLU A 525 -3.859 12.513 10.833 1.00 63.13 H new ATOM 0 HB2 GLU A 525 -1.644 12.777 8.735 1.00 74.43 H new ATOM 0 HB3 GLU A 525 -1.980 11.344 9.686 1.00 74.43 H new ATOM 0 HG2 GLU A 525 -4.036 12.536 7.804 1.00 34.44 H new ATOM 0 HG3 GLU A 525 -2.823 11.397 7.255 1.00 34.44 H new ATOM 1435 N LEU A 526 -1.632 12.608 12.161 1.00 41.33 N ATOM 1436 CA LEU A 526 -0.536 12.849 13.103 1.00 72.42 C ATOM 1437 C LEU A 526 0.828 12.893 12.386 1.00 74.40 C ATOM 1438 O LEU A 526 1.692 13.707 12.727 1.00 72.30 O ATOM 1439 CB LEU A 526 -0.519 11.757 14.185 1.00 73.44 C ATOM 1440 CG LEU A 526 -1.761 11.706 15.094 1.00 61.31 C ATOM 1441 CD1 LEU A 526 -1.666 10.536 16.070 1.00 70.30 C ATOM 1442 CD2 LEU A 526 -1.934 13.027 15.846 1.00 51.43 C ATOM 0 H LEU A 526 -2.056 11.684 12.242 1.00 41.33 H new ATOM 0 HA LEU A 526 -0.706 13.821 13.567 1.00 72.42 H new ATOM 0 HB2 LEU A 526 -0.407 10.789 13.698 1.00 73.44 H new ATOM 0 HB3 LEU A 526 0.362 11.903 14.810 1.00 73.44 H new ATOM 0 HG LEU A 526 -2.639 11.555 14.466 1.00 61.31 H new ATOM 0 HD11 LEU A 526 -2.553 10.517 16.703 1.00 70.30 H new ATOM 0 HD12 LEU A 526 -1.599 9.602 15.513 1.00 70.30 H new ATOM 0 HD13 LEU A 526 -0.778 10.652 16.692 1.00 70.30 H new ATOM 0 HD21 LEU A 526 -2.817 12.970 16.483 1.00 51.43 H new ATOM 0 HD22 LEU A 526 -1.054 13.213 16.462 1.00 51.43 H new ATOM 0 HD23 LEU A 526 -2.054 13.840 15.130 1.00 51.43 H new ATOM 1454 N ASN A 527 1.015 12.018 11.390 1.00 10.21 N ATOM 1455 CA ASN A 527 2.283 11.943 10.641 1.00 4.14 C ATOM 1456 C ASN A 527 2.028 11.775 9.132 1.00 14.31 C ATOM 1457 O ASN A 527 1.345 10.847 8.719 1.00 42.10 O ATOM 1458 CB ASN A 527 3.131 10.762 11.135 1.00 33.32 C ATOM 1459 CG ASN A 527 3.232 10.699 12.646 1.00 14.52 C ATOM 1460 OD1 ASN A 527 4.119 11.291 13.253 1.00 22.31 O ATOM 1461 ND2 ASN A 527 2.324 9.973 13.263 1.00 3.41 N ATOM 0 H ASN A 527 0.307 11.351 11.082 1.00 10.21 H new ATOM 0 HA ASN A 527 2.818 12.878 10.811 1.00 4.14 H new ATOM 0 HB2 ASN A 527 2.699 9.832 10.766 1.00 33.32 H new ATOM 0 HB3 ASN A 527 4.133 10.838 10.712 1.00 33.32 H new ATOM 0 HD21 ASN A 527 2.343 9.888 14.279 1.00 3.41 H new ATOM 0 HD22 ASN A 527 1.601 9.495 12.725 1.00 3.41 H new ATOM 1468 N GLU A 528 2.614 12.647 8.312 1.00 62.41 N ATOM 1469 CA GLU A 528 2.436 12.564 6.851 1.00 24.02 C ATOM 1470 C GLU A 528 3.414 11.550 6.230 1.00 41.33 C ATOM 1471 O GLU A 528 3.150 10.971 5.175 1.00 24.20 O ATOM 1472 CB GLU A 528 2.646 13.950 6.215 1.00 31.52 C ATOM 1473 CG GLU A 528 2.379 13.992 4.711 1.00 55.50 C ATOM 1474 CD GLU A 528 2.756 15.324 4.077 1.00 15.12 C ATOM 1475 OE1 GLU A 528 1.992 16.302 4.231 1.00 45.52 O ATOM 1476 OE2 GLU A 528 3.811 15.396 3.412 1.00 12.53 O ATOM 0 H GLU A 528 3.211 13.413 8.624 1.00 62.41 H new ATOM 0 HA GLU A 528 1.419 12.224 6.652 1.00 24.02 H new ATOM 0 HB2 GLU A 528 1.992 14.668 6.710 1.00 31.52 H new ATOM 0 HB3 GLU A 528 3.671 14.272 6.401 1.00 31.52 H new ATOM 0 HG2 GLU A 528 2.940 13.193 4.226 1.00 55.50 H new ATOM 0 HG3 GLU A 528 1.322 13.796 4.529 1.00 55.50 H new ATOM 1483 N ASN A 529 4.530 11.319 6.912 1.00 22.54 N ATOM 1484 CA ASN A 529 5.549 10.363 6.463 1.00 45.43 C ATOM 1485 C ASN A 529 5.182 8.910 6.828 1.00 61.13 C ATOM 1486 O ASN A 529 5.921 7.977 6.516 1.00 14.12 O ATOM 1487 CB ASN A 529 6.902 10.736 7.082 1.00 53.23 C ATOM 1488 CG ASN A 529 6.828 10.841 8.598 1.00 15.34 C ATOM 1489 OD1 ASN A 529 6.451 11.873 9.139 1.00 2.34 O ATOM 1490 ND2 ASN A 529 7.192 9.785 9.293 1.00 51.51 N ATOM 0 H ASN A 529 4.758 11.785 7.790 1.00 22.54 H new ATOM 0 HA ASN A 529 5.607 10.418 5.376 1.00 45.43 H new ATOM 0 HB2 ASN A 529 7.645 9.987 6.807 1.00 53.23 H new ATOM 0 HB3 ASN A 529 7.239 11.687 6.669 1.00 53.23 H new ATOM 0 HD21 ASN A 529 7.165 9.811 10.312 1.00 51.51 H new ATOM 0 HD22 ASN A 529 7.501 8.940 8.813 1.00 51.51 H new ATOM 1497 N ASN A 530 4.039 8.729 7.489 1.00 52.40 N ATOM 1498 CA ASN A 530 3.601 7.402 7.948 1.00 43.34 C ATOM 1499 C ASN A 530 2.616 6.750 6.956 1.00 15.13 C ATOM 1500 O ASN A 530 2.492 5.524 6.900 1.00 44.24 O ATOM 1501 CB ASN A 530 2.950 7.542 9.331 1.00 24.41 C ATOM 1502 CG ASN A 530 2.575 6.210 9.958 1.00 72.10 C ATOM 1503 OD1 ASN A 530 3.225 5.193 9.733 1.00 11.50 O ATOM 1504 ND2 ASN A 530 1.524 6.207 10.749 1.00 44.21 N ATOM 0 H ASN A 530 3.394 9.485 7.721 1.00 52.40 H new ATOM 0 HA ASN A 530 4.473 6.751 8.010 1.00 43.34 H new ATOM 0 HB2 ASN A 530 3.635 8.068 9.996 1.00 24.41 H new ATOM 0 HB3 ASN A 530 2.055 8.158 9.243 1.00 24.41 H new ATOM 0 HD21 ASN A 530 1.226 5.341 11.198 1.00 44.21 H new ATOM 0 HD22 ASN A 530 1.007 7.071 10.914 1.00 44.21 H new ATOM 1511 N ASN A 531 1.950 7.573 6.148 1.00 45.02 N ATOM 1512 CA ASN A 531 0.898 7.094 5.233 1.00 34.42 C ATOM 1513 C ASN A 531 1.461 6.460 3.944 1.00 42.24 C ATOM 1514 O ASN A 531 0.731 6.278 2.965 1.00 4.44 O ATOM 1515 CB ASN A 531 -0.043 8.255 4.872 1.00 62.12 C ATOM 1516 CG ASN A 531 -0.762 8.820 6.086 1.00 1.21 C ATOM 1517 OD1 ASN A 531 -0.201 8.900 7.172 1.00 45.34 O ATOM 1518 ND2 ASN A 531 -2.010 9.208 5.913 1.00 51.54 N ATOM 0 H ASN A 531 2.116 8.578 6.103 1.00 45.02 H new ATOM 0 HA ASN A 531 0.352 6.311 5.759 1.00 34.42 H new ATOM 0 HB2 ASN A 531 0.531 9.048 4.392 1.00 62.12 H new ATOM 0 HB3 ASN A 531 -0.779 7.910 4.146 1.00 62.12 H new ATOM 0 HD21 ASN A 531 -2.539 9.589 6.697 1.00 51.54 H new ATOM 0 HD22 ASN A 531 -2.447 9.127 4.995 1.00 51.54 H new ATOM 1525 N VAL A 532 2.751 6.112 3.945 1.00 40.53 N ATOM 1526 CA VAL A 532 3.395 5.493 2.773 1.00 50.41 C ATOM 1527 C VAL A 532 4.274 4.292 3.176 1.00 21.31 C ATOM 1528 O VAL A 532 4.928 4.309 4.219 1.00 54.03 O ATOM 1529 CB VAL A 532 4.258 6.523 1.990 1.00 73.23 C ATOM 1530 CG1 VAL A 532 4.940 5.871 0.785 1.00 63.52 C ATOM 1531 CG2 VAL A 532 3.413 7.717 1.545 1.00 41.01 C ATOM 0 H VAL A 532 3.373 6.247 4.742 1.00 40.53 H new ATOM 0 HA VAL A 532 2.592 5.139 2.127 1.00 50.41 H new ATOM 0 HB VAL A 532 5.035 6.884 2.665 1.00 73.23 H new ATOM 0 HG11 VAL A 532 5.536 6.616 0.257 1.00 63.52 H new ATOM 0 HG12 VAL A 532 5.587 5.063 1.126 1.00 63.52 H new ATOM 0 HG13 VAL A 532 4.183 5.469 0.112 1.00 63.52 H new ATOM 0 HG21 VAL A 532 4.039 8.423 1.000 1.00 41.01 H new ATOM 0 HG22 VAL A 532 2.607 7.371 0.897 1.00 41.01 H new ATOM 0 HG23 VAL A 532 2.989 8.209 2.420 1.00 41.01 H new ATOM 1541 N ALA A 533 4.274 3.251 2.345 1.00 64.34 N ATOM 1542 CA ALA A 533 5.102 2.054 2.574 1.00 54.33 C ATOM 1543 C ALA A 533 5.951 1.725 1.339 1.00 71.41 C ATOM 1544 O ALA A 533 5.502 1.909 0.205 1.00 41.12 O ATOM 1545 CB ALA A 533 4.229 0.863 2.942 1.00 10.24 C ATOM 0 H ALA A 533 3.707 3.207 1.498 1.00 64.34 H new ATOM 0 HA ALA A 533 5.775 2.267 3.404 1.00 54.33 H new ATOM 0 HB1 ALA A 533 4.858 -0.012 3.107 1.00 10.24 H new ATOM 0 HB2 ALA A 533 3.673 1.087 3.852 1.00 10.24 H new ATOM 0 HB3 ALA A 533 3.530 0.659 2.130 1.00 10.24 H new ATOM 1551 N THR A 534 7.174 1.240 1.558 1.00 61.45 N ATOM 1552 CA THR A 534 8.105 0.947 0.454 1.00 75.24 C ATOM 1553 C THR A 534 8.589 -0.513 0.462 1.00 43.35 C ATOM 1554 O THR A 534 9.143 -0.988 1.453 1.00 24.03 O ATOM 1555 CB THR A 534 9.351 1.864 0.503 1.00 3.45 C ATOM 1556 OG1 THR A 534 8.958 3.245 0.475 1.00 33.42 O ATOM 1557 CG2 THR A 534 10.285 1.577 -0.670 1.00 12.44 C ATOM 0 H THR A 534 7.548 1.040 2.486 1.00 61.45 H new ATOM 0 HA THR A 534 7.538 1.130 -0.459 1.00 75.24 H new ATOM 0 HB THR A 534 9.881 1.658 1.433 1.00 3.45 H new ATOM 0 HG1 THR A 534 9.756 3.813 0.508 1.00 33.42 H new ATOM 0 HG21 THR A 534 11.153 2.234 -0.613 1.00 12.44 H new ATOM 0 HG22 THR A 534 10.613 0.538 -0.628 1.00 12.44 H new ATOM 0 HG23 THR A 534 9.757 1.754 -1.607 1.00 12.44 H new ATOM 1565 N PHE A 535 8.402 -1.210 -0.659 1.00 5.40 N ATOM 1566 CA PHE A 535 8.887 -2.589 -0.815 1.00 14.13 C ATOM 1567 C PHE A 535 9.587 -2.765 -2.175 1.00 43.02 C ATOM 1568 O PHE A 535 9.002 -2.490 -3.223 1.00 74.43 O ATOM 1569 CB PHE A 535 7.714 -3.572 -0.686 1.00 22.02 C ATOM 1570 CG PHE A 535 8.123 -5.026 -0.635 1.00 71.30 C ATOM 1571 CD1 PHE A 535 8.241 -5.774 -1.799 1.00 73.51 C ATOM 1572 CD2 PHE A 535 8.385 -5.644 0.580 1.00 50.43 C ATOM 1573 CE1 PHE A 535 8.612 -7.104 -1.751 1.00 2.02 C ATOM 1574 CE2 PHE A 535 8.756 -6.974 0.632 1.00 4.32 C ATOM 1575 CZ PHE A 535 8.869 -7.704 -0.534 1.00 20.22 C ATOM 0 H PHE A 535 7.916 -0.844 -1.478 1.00 5.40 H new ATOM 0 HA PHE A 535 9.612 -2.797 -0.028 1.00 14.13 H new ATOM 0 HB2 PHE A 535 7.153 -3.333 0.217 1.00 22.02 H new ATOM 0 HB3 PHE A 535 7.039 -3.426 -1.529 1.00 22.02 H new ATOM 0 HD1 PHE A 535 8.040 -5.310 -2.754 1.00 73.51 H new ATOM 0 HD2 PHE A 535 8.298 -5.078 1.496 1.00 50.43 H new ATOM 0 HE1 PHE A 535 8.701 -7.674 -2.664 1.00 2.02 H new ATOM 0 HE2 PHE A 535 8.957 -7.442 1.584 1.00 4.32 H new ATOM 0 HZ PHE A 535 9.158 -8.744 -0.495 1.00 20.22 H new ATOM 1585 N ASP A 536 10.841 -3.220 -2.157 1.00 72.14 N ATOM 1586 CA ASP A 536 11.625 -3.385 -3.388 1.00 64.30 C ATOM 1587 C ASP A 536 11.634 -4.848 -3.880 1.00 10.52 C ATOM 1588 O ASP A 536 11.903 -5.781 -3.117 1.00 45.11 O ATOM 1589 CB ASP A 536 13.058 -2.875 -3.169 1.00 54.33 C ATOM 1590 CG ASP A 536 13.725 -3.497 -1.955 1.00 0.21 C ATOM 1591 OD1 ASP A 536 13.367 -3.119 -0.819 1.00 23.20 O ATOM 1592 OD2 ASP A 536 14.615 -4.355 -2.127 1.00 71.11 O ATOM 0 H ASP A 536 11.338 -3.481 -1.305 1.00 72.14 H new ATOM 0 HA ASP A 536 11.148 -2.791 -4.168 1.00 64.30 H new ATOM 0 HB2 ASP A 536 13.655 -3.090 -4.056 1.00 54.33 H new ATOM 0 HB3 ASP A 536 13.039 -1.791 -3.052 1.00 54.33 H new ATOM 1597 N VAL A 537 11.331 -5.028 -5.165 1.00 72.15 N ATOM 1598 CA VAL A 537 11.272 -6.357 -5.789 1.00 75.33 C ATOM 1599 C VAL A 537 12.338 -6.509 -6.890 1.00 4.41 C ATOM 1600 O VAL A 537 12.654 -5.553 -7.598 1.00 22.33 O ATOM 1601 CB VAL A 537 9.871 -6.611 -6.409 1.00 24.31 C ATOM 1602 CG1 VAL A 537 9.768 -8.021 -6.989 1.00 72.15 C ATOM 1603 CG2 VAL A 537 8.769 -6.362 -5.380 1.00 54.53 C ATOM 0 H VAL A 537 11.120 -4.262 -5.804 1.00 72.15 H new ATOM 0 HA VAL A 537 11.465 -7.088 -5.004 1.00 75.33 H new ATOM 0 HB VAL A 537 9.737 -5.906 -7.229 1.00 24.31 H new ATOM 0 HG11 VAL A 537 8.776 -8.167 -7.415 1.00 72.15 H new ATOM 0 HG12 VAL A 537 10.520 -8.150 -7.767 1.00 72.15 H new ATOM 0 HG13 VAL A 537 9.935 -8.753 -6.198 1.00 72.15 H new ATOM 0 HG21 VAL A 537 7.797 -6.546 -5.837 1.00 54.53 H new ATOM 0 HG22 VAL A 537 8.905 -7.033 -4.532 1.00 54.53 H new ATOM 0 HG23 VAL A 537 8.819 -5.329 -5.036 1.00 54.53 H new ATOM 1613 N SER A 538 12.890 -7.714 -7.029 1.00 2.00 N ATOM 1614 CA SER A 538 13.874 -8.010 -8.085 1.00 41.22 C ATOM 1615 C SER A 538 13.352 -9.088 -9.045 1.00 61.11 C ATOM 1616 O SER A 538 13.153 -10.240 -8.654 1.00 33.51 O ATOM 1617 CB SER A 538 15.210 -8.467 -7.481 1.00 61.42 C ATOM 1618 OG SER A 538 16.160 -8.766 -8.497 1.00 3.51 O ATOM 0 H SER A 538 12.676 -8.507 -6.425 1.00 2.00 H new ATOM 0 HA SER A 538 14.033 -7.088 -8.644 1.00 41.22 H new ATOM 0 HB2 SER A 538 15.604 -7.686 -6.830 1.00 61.42 H new ATOM 0 HB3 SER A 538 15.049 -9.348 -6.860 1.00 61.42 H new ATOM 0 HG SER A 538 17.001 -9.053 -8.084 1.00 3.51 H new ATOM 1624 N VAL A 539 13.120 -8.705 -10.299 1.00 11.25 N ATOM 1625 CA VAL A 539 12.632 -9.638 -11.320 1.00 24.42 C ATOM 1626 C VAL A 539 13.791 -10.206 -12.154 1.00 73.21 C ATOM 1627 O VAL A 539 14.515 -9.460 -12.814 1.00 31.10 O ATOM 1628 CB VAL A 539 11.620 -8.948 -12.269 1.00 34.31 C ATOM 1629 CG1 VAL A 539 11.019 -9.955 -13.250 1.00 61.44 C ATOM 1630 CG2 VAL A 539 10.528 -8.240 -11.470 1.00 23.43 C ATOM 0 H VAL A 539 13.262 -7.753 -10.636 1.00 11.25 H new ATOM 0 HA VAL A 539 12.135 -10.453 -10.794 1.00 24.42 H new ATOM 0 HB VAL A 539 12.154 -8.196 -12.849 1.00 34.31 H new ATOM 0 HG11 VAL A 539 10.312 -9.447 -13.905 1.00 61.44 H new ATOM 0 HG12 VAL A 539 11.814 -10.399 -13.849 1.00 61.44 H new ATOM 0 HG13 VAL A 539 10.502 -10.738 -12.696 1.00 61.44 H new ATOM 0 HG21 VAL A 539 9.828 -7.762 -12.155 1.00 23.43 H new ATOM 0 HG22 VAL A 539 9.996 -8.967 -10.857 1.00 23.43 H new ATOM 0 HG23 VAL A 539 10.979 -7.484 -10.827 1.00 23.43 H new ATOM 1640 N VAL A 540 13.952 -11.526 -12.135 1.00 33.42 N ATOM 1641 CA VAL A 540 15.054 -12.189 -12.848 1.00 32.13 C ATOM 1642 C VAL A 540 14.550 -13.090 -13.991 1.00 15.35 C ATOM 1643 O VAL A 540 13.367 -13.421 -14.065 1.00 61.35 O ATOM 1644 CB VAL A 540 15.915 -13.034 -11.874 1.00 31.15 C ATOM 1645 CG1 VAL A 540 16.632 -12.139 -10.864 1.00 15.11 C ATOM 1646 CG2 VAL A 540 15.055 -14.076 -11.158 1.00 35.40 C ATOM 0 H VAL A 540 13.334 -12.165 -11.634 1.00 33.42 H new ATOM 0 HA VAL A 540 15.663 -11.396 -13.281 1.00 32.13 H new ATOM 0 HB VAL A 540 16.671 -13.558 -12.458 1.00 31.15 H new ATOM 0 HG11 VAL A 540 17.229 -12.755 -10.192 1.00 15.11 H new ATOM 0 HG12 VAL A 540 17.283 -11.443 -11.393 1.00 15.11 H new ATOM 0 HG13 VAL A 540 15.896 -11.580 -10.286 1.00 15.11 H new ATOM 0 HG21 VAL A 540 15.678 -14.658 -10.479 1.00 35.40 H new ATOM 0 HG22 VAL A 540 14.272 -13.573 -10.590 1.00 35.40 H new ATOM 0 HG23 VAL A 540 14.601 -14.740 -11.893 1.00 35.40 H new ATOM 1656 N LEU A 541 15.464 -13.490 -14.876 1.00 1.54 N ATOM 1657 CA LEU A 541 15.121 -14.354 -16.018 1.00 71.13 C ATOM 1658 C LEU A 541 15.063 -15.843 -15.625 1.00 12.34 C ATOM 1659 O LEU A 541 14.760 -16.701 -16.458 1.00 1.21 O ATOM 1660 CB LEU A 541 16.136 -14.152 -17.154 1.00 51.14 C ATOM 1661 CG LEU A 541 16.139 -12.749 -17.789 1.00 54.23 C ATOM 1662 CD1 LEU A 541 17.253 -12.626 -18.826 1.00 14.31 C ATOM 1663 CD2 LEU A 541 14.782 -12.438 -18.420 1.00 11.20 C ATOM 0 H LEU A 541 16.450 -13.232 -14.828 1.00 1.54 H new ATOM 0 HA LEU A 541 14.126 -14.066 -16.357 1.00 71.13 H new ATOM 0 HB2 LEU A 541 17.134 -14.361 -16.769 1.00 51.14 H new ATOM 0 HB3 LEU A 541 15.935 -14.886 -17.934 1.00 51.14 H new ATOM 0 HG LEU A 541 16.325 -12.021 -17.000 1.00 54.23 H new ATOM 0 HD11 LEU A 541 17.236 -11.627 -19.261 1.00 14.31 H new ATOM 0 HD12 LEU A 541 18.217 -12.797 -18.347 1.00 14.31 H new ATOM 0 HD13 LEU A 541 17.102 -13.367 -19.611 1.00 14.31 H new ATOM 0 HD21 LEU A 541 14.806 -11.442 -18.863 1.00 11.20 H new ATOM 0 HD22 LEU A 541 14.563 -13.174 -19.194 1.00 11.20 H new ATOM 0 HD23 LEU A 541 14.007 -12.476 -17.654 1.00 11.20 H new ATOM 1675 N GLU A 542 15.347 -16.139 -14.357 1.00 34.45 N ATOM 1676 CA GLU A 542 15.348 -17.522 -13.849 1.00 4.23 C ATOM 1677 C GLU A 542 14.149 -17.798 -12.902 1.00 21.45 C ATOM 1678 O GLU A 542 14.251 -17.526 -11.683 1.00 38.12 O ATOM 1679 CB GLU A 542 16.691 -17.817 -13.147 1.00 72.32 C ATOM 1680 CG GLU A 542 17.157 -16.708 -12.206 1.00 63.52 C ATOM 1681 CD GLU A 542 18.427 -17.063 -11.451 1.00 22.41 C ATOM 1682 OE1 GLU A 542 18.328 -17.682 -10.369 1.00 61.31 O ATOM 1683 OE2 GLU A 542 19.528 -16.720 -11.933 1.00 43.10 O ATOM 0 H GLU A 542 15.582 -15.438 -13.654 1.00 34.45 H new ATOM 0 HA GLU A 542 15.234 -18.195 -14.699 1.00 4.23 H new ATOM 0 HB2 GLU A 542 16.598 -18.744 -12.581 1.00 72.32 H new ATOM 0 HB3 GLU A 542 17.457 -17.982 -13.905 1.00 72.32 H new ATOM 0 HG2 GLU A 542 17.326 -15.798 -12.782 1.00 63.52 H new ATOM 0 HG3 GLU A 542 16.364 -16.490 -11.490 1.00 63.52 H new