USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 662 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 Single : A 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 175:sc= -0.0747 (180deg=-0.24) USER MOD Single : A 487 GLN : amide:sc= -2.52 K(o=-2.5,f=-3.7!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-0.75) USER MOD Single : A 510 ASN : amide:sc= -0.0941 K(o=-0.094,f=-1.6) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= -0.373 USER MOD Single : A 518 TYR OH : rot -18:sc= 0.197 USER MOD Single : A 521 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 523 LYS NZ :NH3+ -176:sc= 0.268 (180deg=0.229) USER MOD Single : A 527 SER OG : rot -45:sc= 0.847 USER MOD Single : A 528 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.5) USER MOD Single : A 529 SER OG : rot -89:sc= -0.0453 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN : amide:sc= -2.46 K(o=-2.5,f=-7.3!) USER MOD Single : A 553 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 557 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 558 GLN : amide:sc= -0.585 K(o=-0.59,f=-1.6) USER MOD Single : A 564 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 1.458 -0.218 0.340 1.00 43.01 N ATOM 2 CA MET A 480 2.149 -0.215 -0.944 1.00 43.14 C ATOM 3 C MET A 480 2.665 -1.609 -1.288 1.00 11.14 C ATOM 4 O MET A 480 3.566 -2.127 -0.629 1.00 35.35 O ATOM 5 CB MET A 480 3.311 0.780 -0.920 1.00 65.20 C ATOM 6 CG MET A 480 4.197 0.711 -2.154 1.00 34.51 C ATOM 7 SD MET A 480 5.578 1.867 -2.084 1.00 12.53 S ATOM 8 CE MET A 480 6.895 0.864 -2.765 1.00 62.45 C ATOM 0 HA MET A 480 1.436 0.088 -1.711 1.00 43.14 H new ATOM 0 HB2 MET A 480 2.912 1.790 -0.826 1.00 65.20 H new ATOM 0 HB3 MET A 480 3.920 0.594 -0.035 1.00 65.20 H new ATOM 0 HG2 MET A 480 4.582 -0.303 -2.263 1.00 34.51 H new ATOM 0 HG3 MET A 480 3.597 0.921 -3.039 1.00 34.51 H new ATOM 0 HE1 MET A 480 7.819 1.442 -2.787 1.00 62.45 H new ATOM 0 HE2 MET A 480 7.036 -0.021 -2.145 1.00 62.45 H new ATOM 0 HE3 MET A 480 6.633 0.559 -3.778 1.00 62.45 H new ATOM 18 N ALA A 481 2.088 -2.210 -2.323 1.00 34.23 N ATOM 19 CA ALA A 481 2.490 -3.543 -2.754 1.00 24.01 C ATOM 20 C ALA A 481 3.072 -3.512 -4.163 1.00 52.22 C ATOM 21 O ALA A 481 3.217 -2.446 -4.761 1.00 44.45 O ATOM 22 CB ALA A 481 1.308 -4.498 -2.690 1.00 32.32 C ATOM 0 H ALA A 481 1.340 -1.795 -2.879 1.00 34.23 H new ATOM 0 HA ALA A 481 3.266 -3.898 -2.076 1.00 24.01 H new ATOM 0 HB1 ALA A 481 1.623 -5.490 -3.015 1.00 32.32 H new ATOM 0 HB2 ALA A 481 0.939 -4.552 -1.666 1.00 32.32 H new ATOM 0 HB3 ALA A 481 0.513 -4.138 -3.344 1.00 32.32 H new ATOM 28 N ASP A 482 3.403 -4.687 -4.688 1.00 1.54 N ATOM 29 CA ASP A 482 3.969 -4.794 -6.027 1.00 53.44 C ATOM 30 C ASP A 482 2.876 -5.058 -7.059 1.00 3.50 C ATOM 31 O ASP A 482 2.888 -4.489 -8.151 1.00 4.01 O ATOM 32 CB ASP A 482 5.013 -5.910 -6.075 1.00 42.25 C ATOM 33 CG ASP A 482 6.212 -5.544 -6.928 1.00 25.31 C ATOM 34 OD1 ASP A 482 6.775 -6.449 -7.580 1.00 42.20 O ATOM 35 OD2 ASP A 482 6.588 -4.353 -6.944 1.00 33.53 O ATOM 0 H ASP A 482 3.289 -5.579 -4.206 1.00 1.54 H new ATOM 0 HA ASP A 482 4.451 -3.846 -6.268 1.00 53.44 H new ATOM 0 HB2 ASP A 482 5.347 -6.136 -5.062 1.00 42.25 H new ATOM 0 HB3 ASP A 482 4.554 -6.817 -6.469 1.00 42.25 H new ATOM 40 N VAL A 483 1.933 -5.925 -6.706 1.00 12.33 N ATOM 41 CA VAL A 483 0.833 -6.264 -7.600 1.00 71.44 C ATOM 42 C VAL A 483 -0.511 -6.144 -6.890 1.00 24.42 C ATOM 43 O VAL A 483 -1.494 -5.689 -7.472 1.00 10.32 O ATOM 44 CB VAL A 483 0.982 -7.693 -8.156 1.00 32.44 C ATOM 45 CG1 VAL A 483 1.113 -8.697 -7.020 1.00 11.31 C ATOM 46 CG2 VAL A 483 -0.197 -8.042 -9.052 1.00 43.42 C ATOM 0 H VAL A 483 1.909 -6.406 -5.807 1.00 12.33 H new ATOM 0 HA VAL A 483 0.868 -5.555 -8.427 1.00 71.44 H new ATOM 0 HB VAL A 483 1.891 -7.737 -8.756 1.00 32.44 H new ATOM 0 HG11 VAL A 483 1.217 -9.701 -7.432 1.00 11.31 H new ATOM 0 HG12 VAL A 483 1.992 -8.457 -6.422 1.00 11.31 H new ATOM 0 HG13 VAL A 483 0.224 -8.653 -6.391 1.00 11.31 H new ATOM 0 HG21 VAL A 483 -0.075 -9.055 -9.436 1.00 43.42 H new ATOM 0 HG22 VAL A 483 -1.121 -7.981 -8.478 1.00 43.42 H new ATOM 0 HG23 VAL A 483 -0.241 -7.341 -9.885 1.00 43.42 H new ATOM 56 N GLY A 484 -0.545 -6.557 -5.626 1.00 44.31 N ATOM 57 CA GLY A 484 -1.773 -6.487 -4.856 1.00 4.11 C ATOM 58 C GLY A 484 -2.196 -7.839 -4.316 1.00 50.41 C ATOM 59 O GLY A 484 -3.385 -8.091 -4.118 1.00 4.43 O ATOM 0 H GLY A 484 0.256 -6.938 -5.122 1.00 44.31 H new ATOM 0 HA2 GLY A 484 -1.639 -5.793 -4.026 1.00 4.11 H new ATOM 0 HA3 GLY A 484 -2.569 -6.084 -5.483 1.00 4.11 H new ATOM 63 N ASP A 485 -1.222 -8.711 -4.079 1.00 53.45 N ATOM 64 CA ASP A 485 -1.500 -10.045 -3.560 1.00 12.30 C ATOM 65 C ASP A 485 -2.369 -9.970 -2.308 1.00 72.34 C ATOM 66 O ASP A 485 -1.883 -9.664 -1.220 1.00 45.35 O ATOM 67 CB ASP A 485 -0.194 -10.775 -3.246 1.00 62.42 C ATOM 68 CG ASP A 485 -0.282 -12.263 -3.524 1.00 25.23 C ATOM 69 OD1 ASP A 485 -1.160 -12.926 -2.933 1.00 41.42 O ATOM 70 OD2 ASP A 485 0.529 -12.765 -4.331 1.00 32.43 O ATOM 0 H ASP A 485 -0.233 -8.518 -4.238 1.00 53.45 H new ATOM 0 HA ASP A 485 -2.043 -10.600 -4.325 1.00 12.30 H new ATOM 0 HB2 ASP A 485 0.612 -10.344 -3.840 1.00 62.42 H new ATOM 0 HB3 ASP A 485 0.064 -10.618 -2.199 1.00 62.42 H new ATOM 75 N MET A 486 -3.658 -10.252 -2.471 1.00 42.23 N ATOM 76 CA MET A 486 -4.594 -10.217 -1.354 1.00 55.31 C ATOM 77 C MET A 486 -5.318 -11.552 -1.209 1.00 3.11 C ATOM 78 O MET A 486 -6.009 -11.996 -2.125 1.00 51.52 O ATOM 79 CB MET A 486 -5.612 -9.091 -1.549 1.00 1.10 C ATOM 80 CG MET A 486 -5.950 -8.349 -0.266 1.00 51.32 C ATOM 81 SD MET A 486 -5.738 -6.565 -0.419 1.00 43.23 S ATOM 82 CE MET A 486 -5.442 -6.111 1.288 1.00 23.30 C ATOM 0 H MET A 486 -4.077 -10.507 -3.365 1.00 42.23 H new ATOM 0 HA MET A 486 -4.026 -10.031 -0.443 1.00 55.31 H new ATOM 0 HB2 MET A 486 -5.221 -8.381 -2.278 1.00 1.10 H new ATOM 0 HB3 MET A 486 -6.527 -9.508 -1.970 1.00 1.10 H new ATOM 0 HG2 MET A 486 -6.981 -8.566 0.014 1.00 51.32 H new ATOM 0 HG3 MET A 486 -5.317 -8.718 0.540 1.00 51.32 H new ATOM 0 HE1 MET A 486 -5.204 -5.049 1.346 1.00 23.30 H new ATOM 0 HE2 MET A 486 -6.335 -6.316 1.879 1.00 23.30 H new ATOM 0 HE3 MET A 486 -4.607 -6.692 1.679 1.00 23.30 H new ATOM 92 N GLN A 487 -5.153 -12.187 -0.053 1.00 4.41 N ATOM 93 CA GLN A 487 -5.789 -13.472 0.210 1.00 15.43 C ATOM 94 C GLN A 487 -6.084 -13.639 1.697 1.00 12.33 C ATOM 95 O GLN A 487 -5.702 -12.800 2.515 1.00 62.52 O ATOM 96 CB GLN A 487 -4.898 -14.616 -0.277 1.00 14.41 C ATOM 97 CG GLN A 487 -4.380 -14.422 -1.693 1.00 32.51 C ATOM 98 CD GLN A 487 -3.450 -15.537 -2.131 1.00 54.31 C ATOM 99 OE1 GLN A 487 -2.661 -16.050 -1.338 1.00 32.53 O ATOM 100 NE2 GLN A 487 -3.539 -15.917 -3.400 1.00 62.12 N ATOM 0 H GLN A 487 -4.584 -11.832 0.716 1.00 4.41 H new ATOM 0 HA GLN A 487 -6.733 -13.500 -0.335 1.00 15.43 H new ATOM 0 HB2 GLN A 487 -4.050 -14.719 0.400 1.00 14.41 H new ATOM 0 HB3 GLN A 487 -5.460 -15.549 -0.229 1.00 14.41 H new ATOM 0 HG2 GLN A 487 -5.224 -14.367 -2.380 1.00 32.51 H new ATOM 0 HG3 GLN A 487 -3.854 -13.469 -1.756 1.00 32.51 H new ATOM 0 HE21 GLN A 487 -4.208 -15.464 -4.022 1.00 62.12 H new ATOM 0 HE22 GLN A 487 -2.939 -16.662 -3.752 1.00 62.12 H new ATOM 109 N LEU A 488 -6.766 -14.725 2.042 1.00 74.45 N ATOM 110 CA LEU A 488 -7.113 -15.003 3.431 1.00 12.21 C ATOM 111 C LEU A 488 -6.411 -16.263 3.926 1.00 32.23 C ATOM 112 O LEU A 488 -6.750 -17.375 3.520 1.00 43.03 O ATOM 113 CB LEU A 488 -8.628 -15.158 3.578 1.00 1.42 C ATOM 114 CG LEU A 488 -9.170 -15.130 5.008 1.00 63.02 C ATOM 115 CD1 LEU A 488 -8.995 -13.748 5.618 1.00 21.23 C ATOM 116 CD2 LEU A 488 -10.634 -15.544 5.031 1.00 21.12 C ATOM 0 H LEU A 488 -7.090 -15.428 1.378 1.00 74.45 H new ATOM 0 HA LEU A 488 -6.780 -14.161 4.038 1.00 12.21 H new ATOM 0 HB2 LEU A 488 -9.111 -14.362 3.012 1.00 1.42 H new ATOM 0 HB3 LEU A 488 -8.923 -16.101 3.117 1.00 1.42 H new ATOM 0 HG LEU A 488 -8.602 -15.843 5.606 1.00 63.02 H new ATOM 0 HD11 LEU A 488 -9.386 -13.747 6.635 1.00 21.23 H new ATOM 0 HD12 LEU A 488 -7.936 -13.490 5.636 1.00 21.23 H new ATOM 0 HD13 LEU A 488 -9.537 -13.015 5.020 1.00 21.23 H new ATOM 0 HD21 LEU A 488 -11.003 -15.518 6.056 1.00 21.12 H new ATOM 0 HD22 LEU A 488 -11.216 -14.856 4.418 1.00 21.12 H new ATOM 0 HD23 LEU A 488 -10.733 -16.555 4.635 1.00 21.12 H new ATOM 128 N TYR A 489 -5.434 -16.082 4.808 1.00 61.25 N ATOM 129 CA TYR A 489 -4.684 -17.205 5.359 1.00 50.45 C ATOM 130 C TYR A 489 -5.064 -17.451 6.815 1.00 34.43 C ATOM 131 O TYR A 489 -4.832 -16.607 7.681 1.00 61.23 O ATOM 132 CB TYR A 489 -3.181 -16.943 5.250 1.00 62.55 C ATOM 133 CG TYR A 489 -2.809 -16.008 4.121 1.00 20.13 C ATOM 134 CD1 TYR A 489 -2.805 -14.631 4.307 1.00 64.24 C ATOM 135 CD2 TYR A 489 -2.461 -16.502 2.870 1.00 40.32 C ATOM 136 CE1 TYR A 489 -2.466 -13.773 3.278 1.00 33.13 C ATOM 137 CE2 TYR A 489 -2.120 -15.651 1.836 1.00 22.11 C ATOM 138 CZ TYR A 489 -2.124 -14.288 2.045 1.00 15.21 C ATOM 139 OH TYR A 489 -1.785 -13.436 1.019 1.00 75.34 O ATOM 0 H TYR A 489 -5.143 -15.169 5.157 1.00 61.25 H new ATOM 0 HA TYR A 489 -4.934 -18.095 4.782 1.00 50.45 H new ATOM 0 HB2 TYR A 489 -2.825 -16.523 6.191 1.00 62.55 H new ATOM 0 HB3 TYR A 489 -2.665 -17.893 5.109 1.00 62.55 H new ATOM 0 HD1 TYR A 489 -3.071 -14.225 5.272 1.00 64.24 H new ATOM 0 HD2 TYR A 489 -2.457 -17.569 2.703 1.00 40.32 H new ATOM 0 HE1 TYR A 489 -2.469 -12.705 3.438 1.00 33.13 H new ATOM 0 HE2 TYR A 489 -1.852 -16.051 0.869 1.00 22.11 H new ATOM 0 HH TYR A 489 -1.570 -13.958 0.218 1.00 75.34 H new ATOM 149 N ARG A 490 -5.650 -18.615 7.078 1.00 31.00 N ATOM 150 CA ARG A 490 -6.064 -18.974 8.429 1.00 22.31 C ATOM 151 C ARG A 490 -5.052 -19.916 9.075 1.00 4.44 C ATOM 152 O ARG A 490 -4.650 -20.915 8.479 1.00 71.21 O ATOM 153 CB ARG A 490 -7.445 -19.632 8.405 1.00 63.14 C ATOM 154 CG ARG A 490 -7.487 -20.931 7.616 1.00 42.33 C ATOM 155 CD ARG A 490 -7.645 -22.134 8.532 1.00 71.12 C ATOM 156 NE ARG A 490 -7.039 -23.336 7.966 1.00 21.20 N ATOM 157 CZ ARG A 490 -7.278 -24.562 8.418 1.00 72.34 C ATOM 158 NH1 ARG A 490 -8.107 -24.747 9.436 1.00 70.31 N ATOM 159 NH2 ARG A 490 -6.688 -25.607 7.850 1.00 13.41 N ATOM 0 H ARG A 490 -5.849 -19.325 6.373 1.00 31.00 H new ATOM 0 HA ARG A 490 -6.115 -18.060 9.021 1.00 22.31 H new ATOM 0 HB2 ARG A 490 -7.762 -19.828 9.429 1.00 63.14 H new ATOM 0 HB3 ARG A 490 -8.164 -18.933 7.977 1.00 63.14 H new ATOM 0 HG2 ARG A 490 -8.315 -20.901 6.907 1.00 42.33 H new ATOM 0 HG3 ARG A 490 -6.572 -21.034 7.033 1.00 42.33 H new ATOM 0 HD2 ARG A 490 -7.187 -21.917 9.497 1.00 71.12 H new ATOM 0 HD3 ARG A 490 -8.704 -22.314 8.715 1.00 71.12 H new ATOM 0 HE ARG A 490 -6.397 -23.228 7.181 1.00 21.20 H new ATOM 0 HH11 ARG A 490 -8.563 -23.947 9.874 1.00 70.31 H new ATOM 0 HH12 ARG A 490 -8.289 -25.690 9.781 1.00 70.31 H new ATOM 0 HH21 ARG A 490 -6.051 -25.469 7.066 1.00 13.41 H new ATOM 0 HH22 ARG A 490 -6.872 -26.548 8.198 1.00 13.41 H new ATOM 173 N ILE A 491 -4.643 -19.589 10.297 1.00 53.42 N ATOM 174 CA ILE A 491 -3.679 -20.405 11.023 1.00 1.14 C ATOM 175 C ILE A 491 -4.373 -21.287 12.056 1.00 4.10 C ATOM 176 O ILE A 491 -5.559 -21.116 12.336 1.00 44.14 O ATOM 177 CB ILE A 491 -2.626 -19.534 11.733 1.00 3.14 C ATOM 178 CG1 ILE A 491 -3.276 -18.724 12.857 1.00 45.20 C ATOM 179 CG2 ILE A 491 -1.941 -18.612 10.736 1.00 53.44 C ATOM 180 CD1 ILE A 491 -2.294 -17.878 13.638 1.00 51.14 C ATOM 0 H ILE A 491 -4.965 -18.765 10.804 1.00 53.42 H new ATOM 0 HA ILE A 491 -3.181 -21.035 10.286 1.00 1.14 H new ATOM 0 HB ILE A 491 -1.871 -20.187 12.171 1.00 3.14 H new ATOM 0 HG12 ILE A 491 -4.042 -18.077 12.431 1.00 45.20 H new ATOM 0 HG13 ILE A 491 -3.780 -19.407 13.541 1.00 45.20 H new ATOM 0 HG21 ILE A 491 -1.200 -18.003 11.253 1.00 53.44 H new ATOM 0 HG22 ILE A 491 -1.449 -19.208 9.968 1.00 53.44 H new ATOM 0 HG23 ILE A 491 -2.683 -17.963 10.271 1.00 53.44 H new ATOM 0 HD11 ILE A 491 -2.824 -17.332 14.418 1.00 51.14 H new ATOM 0 HD12 ILE A 491 -1.541 -18.521 14.093 1.00 51.14 H new ATOM 0 HD13 ILE A 491 -1.808 -17.171 12.966 1.00 51.14 H new ATOM 192 N GLU A 492 -3.624 -22.229 12.620 1.00 24.23 N ATOM 193 CA GLU A 492 -4.167 -23.137 13.623 1.00 33.43 C ATOM 194 C GLU A 492 -3.831 -22.657 15.032 1.00 42.31 C ATOM 195 O GLU A 492 -3.323 -23.418 15.855 1.00 25.10 O ATOM 196 CB GLU A 492 -3.623 -24.552 13.411 1.00 2.45 C ATOM 197 CG GLU A 492 -4.331 -25.607 14.243 1.00 32.44 C ATOM 198 CD GLU A 492 -4.388 -26.955 13.550 1.00 23.04 C ATOM 199 OE1 GLU A 492 -4.230 -27.984 14.241 1.00 5.41 O ATOM 200 OE2 GLU A 492 -4.590 -26.981 12.319 1.00 63.45 O ATOM 0 H GLU A 492 -2.640 -22.383 12.400 1.00 24.23 H new ATOM 0 HA GLU A 492 -5.251 -23.152 13.512 1.00 33.43 H new ATOM 0 HB2 GLU A 492 -3.713 -24.812 12.356 1.00 2.45 H new ATOM 0 HB3 GLU A 492 -2.560 -24.564 13.653 1.00 2.45 H new ATOM 0 HG2 GLU A 492 -3.818 -25.715 15.199 1.00 32.44 H new ATOM 0 HG3 GLU A 492 -5.345 -25.272 14.462 1.00 32.44 H new ATOM 207 N VAL A 493 -4.118 -21.387 15.302 1.00 64.10 N ATOM 208 CA VAL A 493 -3.846 -20.804 16.610 1.00 14.33 C ATOM 209 C VAL A 493 -4.931 -19.807 17.003 1.00 33.32 C ATOM 210 O VAL A 493 -5.321 -18.953 16.209 1.00 54.13 O ATOM 211 CB VAL A 493 -2.480 -20.094 16.636 1.00 25.32 C ATOM 212 CG1 VAL A 493 -2.064 -19.787 18.067 1.00 53.22 C ATOM 213 CG2 VAL A 493 -1.427 -20.941 15.937 1.00 21.31 C ATOM 0 H VAL A 493 -4.539 -20.743 14.632 1.00 64.10 H new ATOM 0 HA VAL A 493 -3.833 -21.626 17.326 1.00 14.33 H new ATOM 0 HB VAL A 493 -2.571 -19.150 16.099 1.00 25.32 H new ATOM 0 HG11 VAL A 493 -1.096 -19.285 18.065 1.00 53.22 H new ATOM 0 HG12 VAL A 493 -2.808 -19.139 18.531 1.00 53.22 H new ATOM 0 HG13 VAL A 493 -1.990 -20.716 18.632 1.00 53.22 H new ATOM 0 HG21 VAL A 493 -0.468 -20.424 15.964 1.00 21.31 H new ATOM 0 HG22 VAL A 493 -1.337 -21.901 16.445 1.00 21.31 H new ATOM 0 HG23 VAL A 493 -1.721 -21.105 14.900 1.00 21.31 H new ATOM 223 N GLY A 494 -5.415 -19.923 18.236 1.00 12.14 N ATOM 224 CA GLY A 494 -6.451 -19.026 18.714 1.00 2.51 C ATOM 225 C GLY A 494 -6.276 -18.665 20.176 1.00 53.20 C ATOM 226 O GLY A 494 -5.230 -18.931 20.767 1.00 3.41 O ATOM 0 H GLY A 494 -5.108 -20.622 18.912 1.00 12.14 H new ATOM 0 HA2 GLY A 494 -6.444 -18.116 18.115 1.00 2.51 H new ATOM 0 HA3 GLY A 494 -7.426 -19.493 18.572 1.00 2.51 H new ATOM 230 N ARG A 495 -7.303 -18.056 20.760 1.00 31.23 N ATOM 231 CA ARG A 495 -7.257 -17.656 22.161 1.00 13.34 C ATOM 232 C ARG A 495 -6.932 -18.847 23.057 1.00 22.41 C ATOM 233 O ARG A 495 -6.211 -18.715 24.046 1.00 10.43 O ATOM 234 CB ARG A 495 -8.592 -17.038 22.581 1.00 34.03 C ATOM 235 CG ARG A 495 -9.802 -17.858 22.161 1.00 5.33 C ATOM 236 CD ARG A 495 -11.073 -17.358 22.829 1.00 2.52 C ATOM 237 NE ARG A 495 -11.761 -16.358 22.017 1.00 73.34 N ATOM 238 CZ ARG A 495 -13.038 -16.031 22.180 1.00 75.52 C ATOM 239 NH1 ARG A 495 -13.762 -16.621 23.121 1.00 31.42 N ATOM 240 NH2 ARG A 495 -13.594 -15.112 21.401 1.00 71.33 N ATOM 0 H ARG A 495 -8.177 -17.829 20.285 1.00 31.23 H new ATOM 0 HA ARG A 495 -6.468 -16.913 22.274 1.00 13.34 H new ATOM 0 HB2 ARG A 495 -8.603 -16.919 23.664 1.00 34.03 H new ATOM 0 HB3 ARG A 495 -8.672 -16.040 22.150 1.00 34.03 H new ATOM 0 HG2 ARG A 495 -9.916 -17.811 21.078 1.00 5.33 H new ATOM 0 HG3 ARG A 495 -9.641 -18.905 22.420 1.00 5.33 H new ATOM 0 HD2 ARG A 495 -11.742 -18.199 23.011 1.00 2.52 H new ATOM 0 HD3 ARG A 495 -10.827 -16.929 23.801 1.00 2.52 H new ATOM 0 HE ARG A 495 -11.232 -15.885 21.285 1.00 73.34 H new ATOM 0 HH11 ARG A 495 -13.339 -17.328 23.722 1.00 31.42 H new ATOM 0 HH12 ARG A 495 -14.742 -16.368 23.244 1.00 31.42 H new ATOM 0 HH21 ARG A 495 -13.041 -14.656 20.676 1.00 71.33 H new ATOM 0 HH22 ARG A 495 -14.575 -14.862 21.527 1.00 71.33 H new ATOM 254 N ASP A 496 -7.468 -20.010 22.704 1.00 72.22 N ATOM 255 CA ASP A 496 -7.235 -21.226 23.475 1.00 43.31 C ATOM 256 C ASP A 496 -5.794 -21.701 23.317 1.00 61.22 C ATOM 257 O ASP A 496 -5.306 -22.508 24.108 1.00 63.30 O ATOM 258 CB ASP A 496 -8.200 -22.328 23.035 1.00 43.32 C ATOM 259 CG ASP A 496 -8.551 -23.275 24.165 1.00 65.41 C ATOM 260 OD1 ASP A 496 -7.853 -24.299 24.318 1.00 63.40 O ATOM 261 OD2 ASP A 496 -9.523 -22.994 24.896 1.00 54.52 O ATOM 0 H ASP A 496 -8.067 -20.137 21.888 1.00 72.22 H new ATOM 0 HA ASP A 496 -7.411 -20.999 24.527 1.00 43.31 H new ATOM 0 HB2 ASP A 496 -9.113 -21.875 22.648 1.00 43.32 H new ATOM 0 HB3 ASP A 496 -7.753 -22.893 22.217 1.00 43.32 H new ATOM 266 N ASP A 497 -5.119 -21.196 22.290 1.00 72.42 N ATOM 267 CA ASP A 497 -3.734 -21.569 22.028 1.00 60.45 C ATOM 268 C ASP A 497 -2.773 -20.558 22.644 1.00 42.44 C ATOM 269 O ASP A 497 -1.738 -20.926 23.196 1.00 24.55 O ATOM 270 CB ASP A 497 -3.488 -21.674 20.522 1.00 41.24 C ATOM 271 CG ASP A 497 -2.239 -22.467 20.193 1.00 63.43 C ATOM 272 OD1 ASP A 497 -1.276 -22.415 20.987 1.00 70.22 O ATOM 273 OD2 ASP A 497 -2.224 -23.141 19.142 1.00 71.33 O ATOM 0 H ASP A 497 -5.509 -20.527 21.626 1.00 72.42 H new ATOM 0 HA ASP A 497 -3.552 -22.541 22.486 1.00 60.45 H new ATOM 0 HB2 ASP A 497 -4.349 -22.145 20.048 1.00 41.24 H new ATOM 0 HB3 ASP A 497 -3.401 -20.673 20.100 1.00 41.24 H new ATOM 278 N GLY A 498 -3.123 -19.279 22.543 1.00 41.21 N ATOM 279 CA GLY A 498 -2.280 -18.233 23.093 1.00 32.45 C ATOM 280 C GLY A 498 -2.080 -17.082 22.129 1.00 51.45 C ATOM 281 O GLY A 498 -1.008 -16.478 22.085 1.00 52.32 O ATOM 0 H GLY A 498 -3.975 -18.949 22.090 1.00 41.21 H new ATOM 0 HA2 GLY A 498 -2.726 -17.858 24.014 1.00 32.45 H new ATOM 0 HA3 GLY A 498 -1.310 -18.654 23.357 1.00 32.45 H new ATOM 285 N VAL A 499 -3.114 -16.777 21.351 1.00 52.41 N ATOM 286 CA VAL A 499 -3.047 -15.690 20.381 1.00 12.01 C ATOM 287 C VAL A 499 -4.317 -14.847 20.411 1.00 33.42 C ATOM 288 O VAL A 499 -5.399 -15.350 20.713 1.00 54.53 O ATOM 289 CB VAL A 499 -2.833 -16.225 18.953 1.00 42.13 C ATOM 290 CG1 VAL A 499 -4.138 -16.756 18.380 1.00 50.22 C ATOM 291 CG2 VAL A 499 -2.251 -15.139 18.059 1.00 34.55 C ATOM 0 H VAL A 499 -4.008 -17.267 21.374 1.00 52.41 H new ATOM 0 HA VAL A 499 -2.196 -15.069 20.660 1.00 12.01 H new ATOM 0 HB VAL A 499 -2.121 -17.049 18.995 1.00 42.13 H new ATOM 0 HG11 VAL A 499 -3.967 -17.130 17.370 1.00 50.22 H new ATOM 0 HG12 VAL A 499 -4.509 -17.566 19.009 1.00 50.22 H new ATOM 0 HG13 VAL A 499 -4.875 -15.954 18.350 1.00 50.22 H new ATOM 0 HG21 VAL A 499 -2.106 -15.534 17.054 1.00 34.55 H new ATOM 0 HG22 VAL A 499 -2.937 -14.293 18.021 1.00 34.55 H new ATOM 0 HG23 VAL A 499 -1.293 -14.811 18.462 1.00 34.55 H new ATOM 301 N GLU A 500 -4.177 -13.563 20.096 1.00 21.52 N ATOM 302 CA GLU A 500 -5.314 -12.651 20.088 1.00 52.13 C ATOM 303 C GLU A 500 -5.403 -11.905 18.760 1.00 50.43 C ATOM 304 O GLU A 500 -4.656 -12.190 17.823 1.00 13.43 O ATOM 305 CB GLU A 500 -5.203 -11.651 21.241 1.00 61.23 C ATOM 306 CG GLU A 500 -4.732 -12.275 22.544 1.00 54.11 C ATOM 307 CD GLU A 500 -5.582 -13.458 22.964 1.00 32.35 C ATOM 308 OE1 GLU A 500 -6.771 -13.499 22.584 1.00 71.11 O ATOM 309 OE2 GLU A 500 -5.059 -14.343 23.674 1.00 52.22 O ATOM 0 H GLU A 500 -3.288 -13.132 19.843 1.00 21.52 H new ATOM 0 HA GLU A 500 -6.221 -13.241 20.215 1.00 52.13 H new ATOM 0 HB2 GLU A 500 -4.512 -10.857 20.957 1.00 61.23 H new ATOM 0 HB3 GLU A 500 -6.175 -11.185 21.402 1.00 61.23 H new ATOM 0 HG2 GLU A 500 -3.696 -12.597 22.435 1.00 54.11 H new ATOM 0 HG3 GLU A 500 -4.750 -11.521 23.331 1.00 54.11 H new ATOM 316 N VAL A 501 -6.322 -10.947 18.686 1.00 75.42 N ATOM 317 CA VAL A 501 -6.510 -10.159 17.474 1.00 63.13 C ATOM 318 C VAL A 501 -5.413 -9.111 17.325 1.00 0.41 C ATOM 319 O VAL A 501 -5.013 -8.769 16.212 1.00 71.31 O ATOM 320 CB VAL A 501 -7.880 -9.457 17.467 1.00 15.31 C ATOM 321 CG1 VAL A 501 -8.023 -8.575 16.236 1.00 72.54 C ATOM 322 CG2 VAL A 501 -9.004 -10.481 17.533 1.00 4.43 C ATOM 0 H VAL A 501 -6.948 -10.698 19.452 1.00 75.42 H new ATOM 0 HA VAL A 501 -6.462 -10.853 16.635 1.00 63.13 H new ATOM 0 HB VAL A 501 -7.947 -8.821 18.349 1.00 15.31 H new ATOM 0 HG11 VAL A 501 -8.998 -8.087 16.249 1.00 72.54 H new ATOM 0 HG12 VAL A 501 -7.239 -7.818 16.238 1.00 72.54 H new ATOM 0 HG13 VAL A 501 -7.935 -9.187 15.338 1.00 72.54 H new ATOM 0 HG21 VAL A 501 -9.965 -9.967 17.527 1.00 4.43 H new ATOM 0 HG22 VAL A 501 -8.942 -11.145 16.671 1.00 4.43 H new ATOM 0 HG23 VAL A 501 -8.911 -11.065 18.448 1.00 4.43 H new ATOM 332 N ARG A 502 -4.930 -8.603 18.455 1.00 71.34 N ATOM 333 CA ARG A 502 -3.879 -7.593 18.450 1.00 14.54 C ATOM 334 C ARG A 502 -2.499 -8.243 18.449 1.00 32.15 C ATOM 335 O ARG A 502 -1.478 -7.557 18.413 1.00 5.52 O ATOM 336 CB ARG A 502 -4.021 -6.674 19.665 1.00 12.14 C ATOM 337 CG ARG A 502 -4.035 -7.416 20.992 1.00 72.03 C ATOM 338 CD ARG A 502 -3.748 -6.481 22.156 1.00 22.22 C ATOM 339 NE ARG A 502 -2.327 -6.444 22.491 1.00 63.24 N ATOM 340 CZ ARG A 502 -1.713 -7.387 23.197 1.00 60.34 C ATOM 341 NH1 ARG A 502 -2.392 -8.436 23.640 1.00 55.10 N ATOM 342 NH2 ARG A 502 -0.417 -7.283 23.460 1.00 3.21 N ATOM 0 H ARG A 502 -5.250 -8.875 19.385 1.00 71.34 H new ATOM 0 HA ARG A 502 -3.983 -7.001 17.540 1.00 14.54 H new ATOM 0 HB2 ARG A 502 -3.198 -5.959 19.667 1.00 12.14 H new ATOM 0 HB3 ARG A 502 -4.943 -6.100 19.570 1.00 12.14 H new ATOM 0 HG2 ARG A 502 -5.006 -7.889 21.135 1.00 72.03 H new ATOM 0 HG3 ARG A 502 -3.292 -8.213 20.972 1.00 72.03 H new ATOM 0 HD2 ARG A 502 -4.088 -5.476 21.906 1.00 22.22 H new ATOM 0 HD3 ARG A 502 -4.318 -6.802 23.028 1.00 22.22 H new ATOM 0 HE ARG A 502 -1.776 -5.650 22.165 1.00 63.24 H new ATOM 0 HH11 ARG A 502 -3.388 -8.521 23.439 1.00 55.10 H new ATOM 0 HH12 ARG A 502 -1.918 -9.159 24.182 1.00 55.10 H new ATOM 0 HH21 ARG A 502 0.109 -6.478 23.120 1.00 3.21 H new ATOM 0 HH22 ARG A 502 0.053 -8.008 24.002 1.00 3.21 H new ATOM 356 N HIS A 503 -2.477 -9.572 18.490 1.00 2.42 N ATOM 357 CA HIS A 503 -1.222 -10.315 18.494 1.00 20.30 C ATOM 358 C HIS A 503 -0.702 -10.510 17.073 1.00 23.31 C ATOM 359 O HIS A 503 0.416 -10.107 16.751 1.00 64.43 O ATOM 360 CB HIS A 503 -1.411 -11.673 19.171 1.00 75.10 C ATOM 361 CG HIS A 503 -0.194 -12.155 19.897 1.00 23.35 C ATOM 362 ND1 HIS A 503 -0.235 -13.134 20.868 1.00 64.12 N ATOM 363 CD2 HIS A 503 1.105 -11.789 19.789 1.00 12.23 C ATOM 364 CE1 HIS A 503 0.986 -13.348 21.326 1.00 12.33 C ATOM 365 NE2 HIS A 503 1.817 -12.544 20.688 1.00 63.22 N ATOM 0 H HIS A 503 -3.313 -10.155 18.521 1.00 2.42 H new ATOM 0 HA HIS A 503 -0.488 -9.737 19.055 1.00 20.30 H new ATOM 0 HB2 HIS A 503 -2.241 -11.607 19.874 1.00 75.10 H new ATOM 0 HB3 HIS A 503 -1.690 -12.410 18.418 1.00 75.10 H new ATOM 0 HD2 HIS A 503 1.506 -11.042 19.120 1.00 12.23 H new ATOM 0 HE1 HIS A 503 1.258 -14.059 22.092 1.00 12.33 H new ATOM 0 HE2 HIS A 503 2.824 -12.492 20.839 1.00 63.22 H new ATOM 373 N ILE A 504 -1.519 -11.131 16.229 1.00 40.52 N ATOM 374 CA ILE A 504 -1.141 -11.378 14.843 1.00 22.11 C ATOM 375 C ILE A 504 -1.103 -10.080 14.043 1.00 34.42 C ATOM 376 O ILE A 504 -0.391 -9.974 13.045 1.00 71.23 O ATOM 377 CB ILE A 504 -2.112 -12.360 14.161 1.00 24.45 C ATOM 378 CG1 ILE A 504 -3.407 -11.645 13.774 1.00 13.31 C ATOM 379 CG2 ILE A 504 -2.404 -13.538 15.079 1.00 35.00 C ATOM 380 CD1 ILE A 504 -4.273 -11.278 14.959 1.00 24.04 C ATOM 0 H ILE A 504 -2.447 -11.472 16.481 1.00 40.52 H new ATOM 0 HA ILE A 504 -0.144 -11.819 14.862 1.00 22.11 H new ATOM 0 HB ILE A 504 -1.644 -12.739 13.253 1.00 24.45 H new ATOM 0 HG12 ILE A 504 -3.161 -10.739 13.220 1.00 13.31 H new ATOM 0 HG13 ILE A 504 -3.978 -12.285 13.101 1.00 13.31 H new ATOM 0 HG21 ILE A 504 -3.092 -14.224 14.584 1.00 35.00 H new ATOM 0 HG22 ILE A 504 -1.475 -14.059 15.309 1.00 35.00 H new ATOM 0 HG23 ILE A 504 -2.855 -13.176 16.003 1.00 35.00 H new ATOM 0 HD11 ILE A 504 -5.174 -10.774 14.609 1.00 24.04 H new ATOM 0 HD12 ILE A 504 -4.550 -12.182 15.501 1.00 24.04 H new ATOM 0 HD13 ILE A 504 -3.720 -10.613 15.622 1.00 24.04 H new ATOM 392 N VAL A 505 -1.874 -9.094 14.490 1.00 53.12 N ATOM 393 CA VAL A 505 -1.928 -7.801 13.818 1.00 65.13 C ATOM 394 C VAL A 505 -0.726 -6.939 14.189 1.00 52.12 C ATOM 395 O VAL A 505 0.037 -6.513 13.323 1.00 55.23 O ATOM 396 CB VAL A 505 -3.220 -7.039 14.168 1.00 62.55 C ATOM 397 CG1 VAL A 505 -3.152 -5.609 13.655 1.00 72.02 C ATOM 398 CG2 VAL A 505 -4.433 -7.761 13.601 1.00 71.15 C ATOM 0 H VAL A 505 -2.470 -9.166 15.315 1.00 53.12 H new ATOM 0 HA VAL A 505 -1.912 -8.000 12.746 1.00 65.13 H new ATOM 0 HB VAL A 505 -3.320 -7.005 15.253 1.00 62.55 H new ATOM 0 HG11 VAL A 505 -4.073 -5.086 13.912 1.00 72.02 H new ATOM 0 HG12 VAL A 505 -2.305 -5.098 14.113 1.00 72.02 H new ATOM 0 HG13 VAL A 505 -3.029 -5.616 12.572 1.00 72.02 H new ATOM 0 HG21 VAL A 505 -5.337 -7.209 13.857 1.00 71.15 H new ATOM 0 HG22 VAL A 505 -4.343 -7.827 12.517 1.00 71.15 H new ATOM 0 HG23 VAL A 505 -4.489 -8.765 14.022 1.00 71.15 H new ATOM 408 N GLY A 506 -0.564 -6.686 15.484 1.00 43.30 N ATOM 409 CA GLY A 506 0.547 -5.876 15.948 1.00 44.53 C ATOM 410 C GLY A 506 1.892 -6.493 15.618 1.00 2.25 C ATOM 411 O GLY A 506 2.909 -5.801 15.586 1.00 1.42 O ATOM 0 H GLY A 506 -1.182 -7.027 16.220 1.00 43.30 H new ATOM 0 HA2 GLY A 506 0.484 -4.886 15.496 1.00 44.53 H new ATOM 0 HA3 GLY A 506 0.468 -5.740 17.027 1.00 44.53 H new ATOM 415 N ALA A 507 1.898 -7.799 15.375 1.00 21.30 N ATOM 416 CA ALA A 507 3.128 -8.510 15.047 1.00 52.55 C ATOM 417 C ALA A 507 3.567 -8.215 13.616 1.00 11.43 C ATOM 418 O ALA A 507 4.658 -7.693 13.387 1.00 4.34 O ATOM 419 CB ALA A 507 2.942 -10.006 15.246 1.00 71.54 C ATOM 0 H ALA A 507 1.065 -8.387 15.399 1.00 21.30 H new ATOM 0 HA ALA A 507 3.911 -8.160 15.719 1.00 52.55 H new ATOM 0 HB1 ALA A 507 3.868 -10.524 14.997 1.00 71.54 H new ATOM 0 HB2 ALA A 507 2.683 -10.205 16.286 1.00 71.54 H new ATOM 0 HB3 ALA A 507 2.142 -10.363 14.598 1.00 71.54 H new ATOM 425 N ILE A 508 2.711 -8.553 12.658 1.00 13.50 N ATOM 426 CA ILE A 508 3.011 -8.323 11.250 1.00 21.13 C ATOM 427 C ILE A 508 3.050 -6.832 10.932 1.00 24.24 C ATOM 428 O ILE A 508 3.780 -6.396 10.042 1.00 32.04 O ATOM 429 CB ILE A 508 1.976 -9.004 10.335 1.00 23.55 C ATOM 430 CG1 ILE A 508 0.588 -8.404 10.564 1.00 53.34 C ATOM 431 CG2 ILE A 508 1.957 -10.505 10.583 1.00 23.43 C ATOM 432 CD1 ILE A 508 0.265 -7.257 9.632 1.00 41.42 C ATOM 0 H ILE A 508 1.804 -8.987 12.831 1.00 13.50 H new ATOM 0 HA ILE A 508 3.993 -8.758 11.062 1.00 21.13 H new ATOM 0 HB ILE A 508 2.260 -8.830 9.297 1.00 23.55 H new ATOM 0 HG12 ILE A 508 -0.162 -9.185 10.439 1.00 53.34 H new ATOM 0 HG13 ILE A 508 0.517 -8.056 11.594 1.00 53.34 H new ATOM 0 HG21 ILE A 508 1.221 -10.973 9.929 1.00 23.43 H new ATOM 0 HG22 ILE A 508 2.943 -10.921 10.375 1.00 23.43 H new ATOM 0 HG23 ILE A 508 1.694 -10.699 11.623 1.00 23.43 H new ATOM 0 HD11 ILE A 508 -0.734 -6.881 9.851 1.00 41.42 H new ATOM 0 HD12 ILE A 508 0.993 -6.458 9.773 1.00 41.42 H new ATOM 0 HD13 ILE A 508 0.303 -7.605 8.600 1.00 41.42 H new ATOM 444 N ALA A 509 2.262 -6.055 11.668 1.00 71.14 N ATOM 445 CA ALA A 509 2.209 -4.612 11.467 1.00 62.31 C ATOM 446 C ALA A 509 3.466 -3.937 12.005 1.00 62.02 C ATOM 447 O ALA A 509 3.842 -2.856 11.554 1.00 5.01 O ATOM 448 CB ALA A 509 0.970 -4.032 12.132 1.00 0.21 C ATOM 0 H ALA A 509 1.652 -6.401 12.409 1.00 71.14 H new ATOM 0 HA ALA A 509 2.156 -4.420 10.395 1.00 62.31 H new ATOM 0 HB1 ALA A 509 0.943 -2.954 11.974 1.00 0.21 H new ATOM 0 HB2 ALA A 509 0.078 -4.485 11.698 1.00 0.21 H new ATOM 0 HB3 ALA A 509 0.999 -4.241 13.201 1.00 0.21 H new ATOM 454 N ASN A 510 4.111 -4.582 12.972 1.00 41.32 N ATOM 455 CA ASN A 510 5.326 -4.042 13.572 1.00 34.02 C ATOM 456 C ASN A 510 6.566 -4.562 12.852 1.00 30.20 C ATOM 457 O ASN A 510 7.615 -3.919 12.859 1.00 53.20 O ATOM 458 CB ASN A 510 5.392 -4.409 15.056 1.00 4.21 C ATOM 459 CG ASN A 510 6.579 -3.774 15.756 1.00 72.33 C ATOM 460 OD1 ASN A 510 7.147 -2.795 15.273 1.00 1.40 O ATOM 461 ND2 ASN A 510 6.959 -4.332 16.900 1.00 55.15 N ATOM 0 H ASN A 510 3.813 -5.478 13.357 1.00 41.32 H new ATOM 0 HA ASN A 510 5.300 -2.957 13.473 1.00 34.02 H new ATOM 0 HB2 ASN A 510 4.472 -4.092 15.547 1.00 4.21 H new ATOM 0 HB3 ASN A 510 5.451 -5.493 15.157 1.00 4.21 H new ATOM 0 HD21 ASN A 510 7.752 -3.949 17.416 1.00 55.15 H new ATOM 0 HD22 ASN A 510 6.458 -5.143 17.263 1.00 55.15 H new ATOM 468 N GLU A 511 6.437 -5.731 12.231 1.00 12.42 N ATOM 469 CA GLU A 511 7.548 -6.337 11.507 1.00 54.24 C ATOM 470 C GLU A 511 7.888 -5.529 10.257 1.00 34.13 C ATOM 471 O GLU A 511 9.050 -5.218 10.003 1.00 25.23 O ATOM 472 CB GLU A 511 7.207 -7.777 11.119 1.00 62.30 C ATOM 473 CG GLU A 511 7.444 -8.780 12.236 1.00 74.23 C ATOM 474 CD GLU A 511 8.871 -8.758 12.747 1.00 12.14 C ATOM 475 OE1 GLU A 511 9.787 -8.492 11.941 1.00 34.23 O ATOM 476 OE2 GLU A 511 9.071 -9.006 13.955 1.00 64.21 O ATOM 0 H GLU A 511 5.575 -6.276 12.215 1.00 12.42 H new ATOM 0 HA GLU A 511 8.418 -6.341 12.164 1.00 54.24 H new ATOM 0 HB2 GLU A 511 6.161 -7.825 10.815 1.00 62.30 H new ATOM 0 HB3 GLU A 511 7.804 -8.062 10.253 1.00 62.30 H new ATOM 0 HG2 GLU A 511 6.764 -8.567 13.061 1.00 74.23 H new ATOM 0 HG3 GLU A 511 7.206 -9.781 11.877 1.00 74.23 H new ATOM 483 N GLY A 512 6.863 -5.193 9.480 1.00 73.13 N ATOM 484 CA GLY A 512 7.073 -4.426 8.266 1.00 12.41 C ATOM 485 C GLY A 512 6.419 -3.059 8.324 1.00 61.23 C ATOM 486 O GLY A 512 6.343 -2.445 9.388 1.00 54.43 O ATOM 0 H GLY A 512 5.891 -5.438 9.669 1.00 73.13 H new ATOM 0 HA2 GLY A 512 8.143 -4.307 8.096 1.00 12.41 H new ATOM 0 HA3 GLY A 512 6.675 -4.980 7.416 1.00 12.41 H new ATOM 490 N ASP A 513 5.948 -2.582 7.177 1.00 0.20 N ATOM 491 CA ASP A 513 5.298 -1.279 7.101 1.00 50.41 C ATOM 492 C ASP A 513 3.792 -1.410 7.304 1.00 53.04 C ATOM 493 O ASP A 513 3.097 -0.418 7.526 1.00 52.01 O ATOM 494 CB ASP A 513 5.588 -0.618 5.752 1.00 31.31 C ATOM 495 CG ASP A 513 6.835 0.243 5.785 1.00 22.22 C ATOM 496 OD1 ASP A 513 6.939 1.168 4.953 1.00 22.11 O ATOM 497 OD2 ASP A 513 7.708 -0.009 6.643 1.00 52.22 O ATOM 0 H ASP A 513 6.004 -3.078 6.287 1.00 0.20 H new ATOM 0 HA ASP A 513 5.701 -0.653 7.897 1.00 50.41 H new ATOM 0 HB2 ASP A 513 5.703 -1.389 4.990 1.00 31.31 H new ATOM 0 HB3 ASP A 513 4.735 -0.006 5.460 1.00 31.31 H new ATOM 502 N ILE A 514 3.294 -2.639 7.224 1.00 23.53 N ATOM 503 CA ILE A 514 1.871 -2.900 7.399 1.00 12.22 C ATOM 504 C ILE A 514 1.350 -2.266 8.685 1.00 71.42 C ATOM 505 O ILE A 514 2.045 -2.238 9.701 1.00 55.14 O ATOM 506 CB ILE A 514 1.574 -4.411 7.428 1.00 42.21 C ATOM 507 CG1 ILE A 514 2.038 -5.069 6.127 1.00 44.43 C ATOM 508 CG2 ILE A 514 0.089 -4.655 7.651 1.00 42.12 C ATOM 509 CD1 ILE A 514 2.309 -6.551 6.262 1.00 0.30 C ATOM 0 H ILE A 514 3.855 -3.470 7.039 1.00 23.53 H new ATOM 0 HA ILE A 514 1.362 -2.455 6.544 1.00 12.22 H new ATOM 0 HB ILE A 514 2.124 -4.859 8.256 1.00 42.21 H new ATOM 0 HG12 ILE A 514 1.278 -4.915 5.361 1.00 44.43 H new ATOM 0 HG13 ILE A 514 2.945 -4.572 5.781 1.00 44.43 H new ATOM 0 HG21 ILE A 514 -0.105 -5.727 7.669 1.00 42.12 H new ATOM 0 HG22 ILE A 514 -0.213 -4.216 8.602 1.00 42.12 H new ATOM 0 HG23 ILE A 514 -0.480 -4.197 6.842 1.00 42.12 H new ATOM 0 HD11 ILE A 514 2.634 -6.950 5.301 1.00 0.30 H new ATOM 0 HD12 ILE A 514 3.090 -6.712 7.005 1.00 0.30 H new ATOM 0 HD13 ILE A 514 1.398 -7.060 6.577 1.00 0.30 H new ATOM 521 N SER A 515 0.122 -1.761 8.633 1.00 12.44 N ATOM 522 CA SER A 515 -0.492 -1.125 9.794 1.00 74.55 C ATOM 523 C SER A 515 -1.692 -1.931 10.282 1.00 33.11 C ATOM 524 O SER A 515 -2.148 -2.856 9.610 1.00 73.01 O ATOM 525 CB SER A 515 -0.927 0.301 9.450 1.00 20.32 C ATOM 526 OG SER A 515 -0.852 1.144 10.586 1.00 12.15 O ATOM 0 H SER A 515 -0.467 -1.779 7.801 1.00 12.44 H new ATOM 0 HA SER A 515 0.249 -1.088 10.593 1.00 74.55 H new ATOM 0 HB2 SER A 515 -0.293 0.697 8.657 1.00 20.32 H new ATOM 0 HB3 SER A 515 -1.947 0.291 9.067 1.00 20.32 H new ATOM 0 HG SER A 515 -1.133 2.050 10.340 1.00 12.15 H new ATOM 532 N SER A 516 -2.199 -1.572 11.457 1.00 20.55 N ATOM 533 CA SER A 516 -3.344 -2.264 12.039 1.00 5.55 C ATOM 534 C SER A 516 -4.603 -2.021 11.213 1.00 44.32 C ATOM 535 O SER A 516 -5.549 -2.807 11.257 1.00 22.03 O ATOM 536 CB SER A 516 -3.568 -1.799 13.480 1.00 70.32 C ATOM 537 OG SER A 516 -4.314 -2.755 14.213 1.00 14.12 O ATOM 0 H SER A 516 -1.836 -0.806 12.025 1.00 20.55 H new ATOM 0 HA SER A 516 -3.131 -3.333 12.038 1.00 5.55 H new ATOM 0 HB2 SER A 516 -2.606 -1.633 13.966 1.00 70.32 H new ATOM 0 HB3 SER A 516 -4.094 -0.844 13.480 1.00 70.32 H new ATOM 0 HG SER A 516 -4.443 -2.436 15.131 1.00 14.12 H new ATOM 543 N ARG A 517 -4.606 -0.926 10.459 1.00 21.10 N ATOM 544 CA ARG A 517 -5.748 -0.578 9.623 1.00 52.22 C ATOM 545 C ARG A 517 -5.552 -1.083 8.196 1.00 21.04 C ATOM 546 O ARG A 517 -6.509 -1.474 7.528 1.00 13.01 O ATOM 547 CB ARG A 517 -5.958 0.937 9.614 1.00 1.52 C ATOM 548 CG ARG A 517 -4.708 1.723 9.254 1.00 4.32 C ATOM 549 CD ARG A 517 -5.011 3.203 9.078 1.00 72.14 C ATOM 550 NE ARG A 517 -3.895 4.045 9.500 1.00 71.20 N ATOM 551 CZ ARG A 517 -3.733 5.303 9.106 1.00 71.25 C ATOM 552 NH1 ARG A 517 -4.611 5.862 8.284 1.00 70.30 N ATOM 553 NH2 ARG A 517 -2.692 6.005 9.533 1.00 24.24 N ATOM 0 H ARG A 517 -3.830 -0.265 10.410 1.00 21.10 H new ATOM 0 HA ARG A 517 -6.632 -1.058 10.042 1.00 52.22 H new ATOM 0 HB2 ARG A 517 -6.748 1.182 8.904 1.00 1.52 H new ATOM 0 HB3 ARG A 517 -6.305 1.253 10.598 1.00 1.52 H new ATOM 0 HG2 ARG A 517 -3.959 1.594 10.035 1.00 4.32 H new ATOM 0 HG3 ARG A 517 -4.280 1.326 8.333 1.00 4.32 H new ATOM 0 HD2 ARG A 517 -5.241 3.404 8.032 1.00 72.14 H new ATOM 0 HD3 ARG A 517 -5.899 3.462 9.655 1.00 72.14 H new ATOM 0 HE ARG A 517 -3.202 3.645 10.132 1.00 71.20 H new ATOM 0 HH11 ARG A 517 -5.413 5.326 7.953 1.00 70.30 H new ATOM 0 HH12 ARG A 517 -4.484 6.828 7.983 1.00 70.30 H new ATOM 0 HH21 ARG A 517 -2.014 5.579 10.165 1.00 24.24 H new ATOM 0 HH22 ARG A 517 -2.569 6.971 9.229 1.00 24.24 H new ATOM 567 N TYR A 518 -4.306 -1.071 7.737 1.00 62.44 N ATOM 568 CA TYR A 518 -3.984 -1.525 6.389 1.00 71.32 C ATOM 569 C TYR A 518 -4.425 -2.971 6.181 1.00 25.24 C ATOM 570 O TYR A 518 -4.933 -3.330 5.119 1.00 62.42 O ATOM 571 CB TYR A 518 -2.482 -1.396 6.129 1.00 13.32 C ATOM 572 CG TYR A 518 -2.150 -0.659 4.851 1.00 31.31 C ATOM 573 CD1 TYR A 518 -1.293 -1.215 3.909 1.00 4.23 C ATOM 574 CD2 TYR A 518 -2.693 0.592 4.586 1.00 64.24 C ATOM 575 CE1 TYR A 518 -0.986 -0.546 2.740 1.00 5.53 C ATOM 576 CE2 TYR A 518 -2.392 1.268 3.419 1.00 74.42 C ATOM 577 CZ TYR A 518 -1.538 0.695 2.499 1.00 13.05 C ATOM 578 OH TYR A 518 -1.236 1.366 1.337 1.00 64.44 O ATOM 0 H TYR A 518 -3.502 -0.752 8.278 1.00 62.44 H new ATOM 0 HA TYR A 518 -4.524 -0.894 5.683 1.00 71.32 H new ATOM 0 HB2 TYR A 518 -2.020 -0.877 6.969 1.00 13.32 H new ATOM 0 HB3 TYR A 518 -2.042 -2.392 6.089 1.00 13.32 H new ATOM 0 HD1 TYR A 518 -0.860 -2.187 4.094 1.00 4.23 H new ATOM 0 HD2 TYR A 518 -3.361 1.044 5.304 1.00 64.24 H new ATOM 0 HE1 TYR A 518 -0.317 -0.992 2.019 1.00 5.53 H new ATOM 0 HE2 TYR A 518 -2.823 2.240 3.228 1.00 74.42 H new ATOM 0 HH TYR A 518 -0.425 0.985 0.941 1.00 64.44 H new ATOM 588 N ILE A 519 -4.226 -3.796 7.204 1.00 11.33 N ATOM 589 CA ILE A 519 -4.604 -5.202 7.136 1.00 42.22 C ATOM 590 C ILE A 519 -6.067 -5.359 6.738 1.00 75.11 C ATOM 591 O ILE A 519 -6.917 -4.560 7.129 1.00 34.44 O ATOM 592 CB ILE A 519 -4.370 -5.914 8.481 1.00 10.34 C ATOM 593 CG1 ILE A 519 -2.896 -5.823 8.882 1.00 70.44 C ATOM 594 CG2 ILE A 519 -4.813 -7.367 8.396 1.00 53.41 C ATOM 595 CD1 ILE A 519 -2.685 -5.602 10.363 1.00 44.51 C ATOM 0 H ILE A 519 -3.805 -3.515 8.090 1.00 11.33 H new ATOM 0 HA ILE A 519 -3.972 -5.662 6.376 1.00 42.22 H new ATOM 0 HB ILE A 519 -4.966 -5.417 9.246 1.00 10.34 H new ATOM 0 HG12 ILE A 519 -2.390 -6.741 8.584 1.00 70.44 H new ATOM 0 HG13 ILE A 519 -2.428 -5.007 8.331 1.00 70.44 H new ATOM 0 HG21 ILE A 519 -4.641 -7.856 9.355 1.00 53.41 H new ATOM 0 HG22 ILE A 519 -5.874 -7.410 8.152 1.00 53.41 H new ATOM 0 HG23 ILE A 519 -4.241 -7.877 7.621 1.00 53.41 H new ATOM 0 HD11 ILE A 519 -1.617 -5.548 10.574 1.00 44.51 H new ATOM 0 HD12 ILE A 519 -3.162 -4.669 10.663 1.00 44.51 H new ATOM 0 HD13 ILE A 519 -3.123 -6.430 10.920 1.00 44.51 H new ATOM 607 N GLY A 520 -6.355 -6.397 5.958 1.00 41.34 N ATOM 608 CA GLY A 520 -7.717 -6.641 5.521 1.00 70.52 C ATOM 609 C GLY A 520 -8.597 -7.172 6.635 1.00 1.13 C ATOM 610 O GLY A 520 -8.760 -6.524 7.668 1.00 51.51 O ATOM 0 H GLY A 520 -5.669 -7.073 5.621 1.00 41.34 H new ATOM 0 HA2 GLY A 520 -8.143 -5.715 5.136 1.00 70.52 H new ATOM 0 HA3 GLY A 520 -7.709 -7.355 4.697 1.00 70.52 H new ATOM 614 N ASN A 521 -9.167 -8.354 6.426 1.00 63.24 N ATOM 615 CA ASN A 521 -10.037 -8.970 7.420 1.00 21.45 C ATOM 616 C ASN A 521 -9.249 -9.919 8.319 1.00 13.34 C ATOM 617 O ASN A 521 -8.526 -10.790 7.836 1.00 25.04 O ATOM 618 CB ASN A 521 -11.175 -9.728 6.734 1.00 61.23 C ATOM 619 CG ASN A 521 -12.155 -8.799 6.044 1.00 41.20 C ATOM 620 OD1 ASN A 521 -13.294 -8.642 6.484 1.00 3.14 O ATOM 621 ND2 ASN A 521 -11.715 -8.177 4.956 1.00 71.41 N ATOM 0 H ASN A 521 -9.042 -8.904 5.576 1.00 63.24 H new ATOM 0 HA ASN A 521 -10.458 -8.177 8.038 1.00 21.45 H new ATOM 0 HB2 ASN A 521 -10.758 -10.420 6.002 1.00 61.23 H new ATOM 0 HB3 ASN A 521 -11.706 -10.328 7.473 1.00 61.23 H new ATOM 0 HD21 ASN A 521 -12.329 -7.539 4.450 1.00 71.41 H new ATOM 0 HD22 ASN A 521 -10.763 -8.337 4.627 1.00 71.41 H new ATOM 628 N ILE A 522 -9.396 -9.743 9.628 1.00 12.02 N ATOM 629 CA ILE A 522 -8.700 -10.584 10.594 1.00 12.22 C ATOM 630 C ILE A 522 -9.685 -11.277 11.529 1.00 20.44 C ATOM 631 O ILE A 522 -10.585 -10.644 12.082 1.00 23.53 O ATOM 632 CB ILE A 522 -7.700 -9.767 11.434 1.00 72.30 C ATOM 633 CG1 ILE A 522 -6.825 -8.902 10.525 1.00 12.53 C ATOM 634 CG2 ILE A 522 -6.840 -10.693 12.281 1.00 31.02 C ATOM 635 CD1 ILE A 522 -7.157 -7.427 10.593 1.00 23.23 C ATOM 0 H ILE A 522 -9.991 -9.026 10.044 1.00 12.02 H new ATOM 0 HA ILE A 522 -8.154 -11.335 10.023 1.00 12.22 H new ATOM 0 HB ILE A 522 -8.259 -9.110 12.101 1.00 72.30 H new ATOM 0 HG12 ILE A 522 -5.779 -9.044 10.798 1.00 12.53 H new ATOM 0 HG13 ILE A 522 -6.935 -9.244 9.496 1.00 12.53 H new ATOM 0 HG21 ILE A 522 -6.138 -10.101 12.869 1.00 31.02 H new ATOM 0 HG22 ILE A 522 -7.478 -11.271 12.950 1.00 31.02 H new ATOM 0 HG23 ILE A 522 -6.287 -11.371 11.631 1.00 31.02 H new ATOM 0 HD11 ILE A 522 -6.498 -6.874 9.923 1.00 23.23 H new ATOM 0 HD12 ILE A 522 -8.193 -7.273 10.291 1.00 23.23 H new ATOM 0 HD13 ILE A 522 -7.020 -7.070 11.614 1.00 23.23 H new ATOM 647 N LYS A 523 -9.508 -12.583 11.704 1.00 44.41 N ATOM 648 CA LYS A 523 -10.378 -13.364 12.575 1.00 43.22 C ATOM 649 C LYS A 523 -9.596 -13.939 13.751 1.00 24.03 C ATOM 650 O LYS A 523 -8.385 -14.149 13.662 1.00 11.20 O ATOM 651 CB LYS A 523 -11.039 -14.496 11.786 1.00 34.21 C ATOM 652 CG LYS A 523 -12.315 -15.018 12.425 1.00 40.31 C ATOM 653 CD LYS A 523 -12.687 -16.390 11.888 1.00 42.30 C ATOM 654 CE LYS A 523 -14.195 -16.560 11.790 1.00 11.11 C ATOM 655 NZ LYS A 523 -14.876 -16.216 13.069 1.00 53.11 N ATOM 0 H LYS A 523 -8.769 -13.123 11.253 1.00 44.41 H new ATOM 0 HA LYS A 523 -11.151 -12.701 12.965 1.00 43.22 H new ATOM 0 HB2 LYS A 523 -11.265 -14.143 10.780 1.00 34.21 H new ATOM 0 HB3 LYS A 523 -10.331 -15.318 11.684 1.00 34.21 H new ATOM 0 HG2 LYS A 523 -12.186 -15.072 13.506 1.00 40.31 H new ATOM 0 HG3 LYS A 523 -13.130 -14.319 12.236 1.00 40.31 H new ATOM 0 HD2 LYS A 523 -12.239 -16.530 10.904 1.00 42.30 H new ATOM 0 HD3 LYS A 523 -12.274 -17.161 12.539 1.00 42.30 H new ATOM 0 HE2 LYS A 523 -14.581 -15.926 10.991 1.00 11.11 H new ATOM 0 HE3 LYS A 523 -14.428 -17.590 11.520 1.00 11.11 H new ATOM 0 HZ1 LYS A 523 -15.894 -16.409 12.983 1.00 53.11 H new ATOM 0 HZ2 LYS A 523 -14.478 -16.790 13.839 1.00 53.11 H new ATOM 0 HZ3 LYS A 523 -14.732 -15.208 13.279 1.00 53.11 H new ATOM 669 N LEU A 524 -10.294 -14.193 14.852 1.00 20.43 N ATOM 670 CA LEU A 524 -9.665 -14.746 16.047 1.00 61.43 C ATOM 671 C LEU A 524 -10.590 -15.743 16.738 1.00 70.14 C ATOM 672 O LEU A 524 -11.414 -15.366 17.571 1.00 74.31 O ATOM 673 CB LEU A 524 -9.291 -13.624 17.016 1.00 4.11 C ATOM 674 CG LEU A 524 -8.311 -13.997 18.129 1.00 30.23 C ATOM 675 CD1 LEU A 524 -8.995 -14.867 19.172 1.00 23.53 C ATOM 676 CD2 LEU A 524 -7.095 -14.708 17.553 1.00 2.33 C ATOM 0 H LEU A 524 -11.296 -14.025 14.943 1.00 20.43 H new ATOM 0 HA LEU A 524 -8.760 -15.270 15.741 1.00 61.43 H new ATOM 0 HB2 LEU A 524 -8.862 -12.803 16.442 1.00 4.11 H new ATOM 0 HB3 LEU A 524 -10.205 -13.248 17.475 1.00 4.11 H new ATOM 0 HG LEU A 524 -7.975 -13.080 18.614 1.00 30.23 H new ATOM 0 HD11 LEU A 524 -8.283 -15.123 19.956 1.00 23.53 H new ATOM 0 HD12 LEU A 524 -9.833 -14.323 19.607 1.00 23.53 H new ATOM 0 HD13 LEU A 524 -9.360 -15.780 18.702 1.00 23.53 H new ATOM 0 HD21 LEU A 524 -6.408 -14.966 18.359 1.00 2.33 H new ATOM 0 HD22 LEU A 524 -7.413 -15.617 17.042 1.00 2.33 H new ATOM 0 HD23 LEU A 524 -6.591 -14.051 16.844 1.00 2.33 H new ATOM 688 N PHE A 525 -10.446 -17.017 16.387 1.00 14.12 N ATOM 689 CA PHE A 525 -11.268 -18.069 16.974 1.00 13.45 C ATOM 690 C PHE A 525 -10.571 -18.695 18.179 1.00 73.03 C ATOM 691 O PHE A 525 -9.586 -18.160 18.686 1.00 20.44 O ATOM 692 CB PHE A 525 -11.577 -19.146 15.932 1.00 1.34 C ATOM 693 CG PHE A 525 -13.040 -19.468 15.818 1.00 4.43 C ATOM 694 CD1 PHE A 525 -13.491 -20.767 15.982 1.00 71.30 C ATOM 695 CD2 PHE A 525 -13.963 -18.471 15.548 1.00 41.32 C ATOM 696 CE1 PHE A 525 -14.836 -21.066 15.877 1.00 73.34 C ATOM 697 CE2 PHE A 525 -15.310 -18.764 15.442 1.00 44.43 C ATOM 698 CZ PHE A 525 -15.747 -20.063 15.607 1.00 22.14 C ATOM 0 H PHE A 525 -9.768 -17.346 15.699 1.00 14.12 H new ATOM 0 HA PHE A 525 -12.203 -17.620 17.310 1.00 13.45 H new ATOM 0 HB2 PHE A 525 -11.209 -18.816 14.960 1.00 1.34 H new ATOM 0 HB3 PHE A 525 -11.032 -20.055 16.188 1.00 1.34 H new ATOM 0 HD1 PHE A 525 -12.784 -21.555 16.194 1.00 71.30 H new ATOM 0 HD2 PHE A 525 -13.626 -17.453 15.419 1.00 41.32 H new ATOM 0 HE1 PHE A 525 -15.175 -22.083 16.006 1.00 73.34 H new ATOM 0 HE2 PHE A 525 -16.019 -17.978 15.230 1.00 44.43 H new ATOM 0 HZ PHE A 525 -16.799 -20.295 15.525 1.00 22.14 H new ATOM 708 N ALA A 526 -11.091 -19.832 18.631 1.00 52.54 N ATOM 709 CA ALA A 526 -10.519 -20.532 19.774 1.00 70.13 C ATOM 710 C ALA A 526 -9.137 -21.085 19.443 1.00 3.52 C ATOM 711 O ALA A 526 -8.197 -20.941 20.225 1.00 10.13 O ATOM 712 CB ALA A 526 -11.444 -21.653 20.223 1.00 72.44 C ATOM 0 H ALA A 526 -11.907 -20.287 18.223 1.00 52.54 H new ATOM 0 HA ALA A 526 -10.410 -19.817 20.589 1.00 70.13 H new ATOM 0 HB1 ALA A 526 -11.004 -22.167 21.077 1.00 72.44 H new ATOM 0 HB2 ALA A 526 -12.410 -21.236 20.508 1.00 72.44 H new ATOM 0 HB3 ALA A 526 -11.582 -22.360 19.405 1.00 72.44 H new ATOM 718 N SER A 527 -9.020 -21.717 18.280 1.00 21.52 N ATOM 719 CA SER A 527 -7.753 -22.296 17.848 1.00 2.24 C ATOM 720 C SER A 527 -7.482 -21.977 16.381 1.00 0.22 C ATOM 721 O SER A 527 -6.884 -22.776 15.660 1.00 33.41 O ATOM 722 CB SER A 527 -7.761 -23.811 18.060 1.00 53.04 C ATOM 723 OG SER A 527 -6.504 -24.378 17.734 1.00 30.23 O ATOM 0 H SER A 527 -9.787 -21.841 17.620 1.00 21.52 H new ATOM 0 HA SER A 527 -6.957 -21.857 18.450 1.00 2.24 H new ATOM 0 HB2 SER A 527 -8.006 -24.035 19.098 1.00 53.04 H new ATOM 0 HB3 SER A 527 -8.538 -24.263 17.444 1.00 53.04 H new ATOM 0 HG SER A 527 -6.184 -24.000 16.888 1.00 30.23 H new ATOM 729 N HIS A 528 -7.926 -20.802 15.946 1.00 73.13 N ATOM 730 CA HIS A 528 -7.732 -20.376 14.564 1.00 10.45 C ATOM 731 C HIS A 528 -7.768 -18.854 14.456 1.00 64.25 C ATOM 732 O HIS A 528 -8.250 -18.169 15.357 1.00 4.33 O ATOM 733 CB HIS A 528 -8.805 -20.988 13.664 1.00 62.34 C ATOM 734 CG HIS A 528 -8.535 -22.415 13.295 1.00 5.42 C ATOM 735 ND1 HIS A 528 -9.030 -23.484 14.011 1.00 14.20 N ATOM 736 CD2 HIS A 528 -7.816 -22.945 12.278 1.00 74.40 C ATOM 737 CE1 HIS A 528 -8.628 -24.610 13.451 1.00 24.41 C ATOM 738 NE2 HIS A 528 -7.890 -24.311 12.397 1.00 23.42 N ATOM 0 H HIS A 528 -8.422 -20.128 16.530 1.00 73.13 H new ATOM 0 HA HIS A 528 -6.752 -20.724 14.236 1.00 10.45 H new ATOM 0 HB2 HIS A 528 -9.769 -20.928 14.169 1.00 62.34 H new ATOM 0 HB3 HIS A 528 -8.885 -20.395 12.753 1.00 62.34 H new ATOM 0 HD1 HIS A 528 -9.615 -23.416 14.843 1.00 14.20 H new ATOM 0 HD2 HIS A 528 -7.284 -22.396 11.515 1.00 74.40 H new ATOM 0 HE1 HIS A 528 -8.863 -25.606 13.796 1.00 24.41 H new ATOM 746 N SER A 529 -7.254 -18.333 13.346 1.00 5.11 N ATOM 747 CA SER A 529 -7.222 -16.892 13.122 1.00 74.54 C ATOM 748 C SER A 529 -6.880 -16.576 11.669 1.00 61.42 C ATOM 749 O SER A 529 -5.945 -17.143 11.101 1.00 55.13 O ATOM 750 CB SER A 529 -6.204 -16.232 14.053 1.00 51.32 C ATOM 751 OG SER A 529 -5.137 -17.115 14.350 1.00 23.03 O ATOM 0 H SER A 529 -6.854 -18.887 12.588 1.00 5.11 H new ATOM 0 HA SER A 529 -8.213 -16.493 13.339 1.00 74.54 H new ATOM 0 HB2 SER A 529 -5.813 -15.328 13.587 1.00 51.32 H new ATOM 0 HB3 SER A 529 -6.696 -15.927 14.977 1.00 51.32 H new ATOM 0 HG SER A 529 -5.362 -17.645 15.143 1.00 23.03 H new ATOM 757 N THR A 530 -7.644 -15.667 11.072 1.00 42.24 N ATOM 758 CA THR A 530 -7.424 -15.275 9.685 1.00 24.02 C ATOM 759 C THR A 530 -6.820 -13.878 9.598 1.00 54.21 C ATOM 760 O THR A 530 -6.819 -13.130 10.576 1.00 23.23 O ATOM 761 CB THR A 530 -8.735 -15.307 8.877 1.00 23.34 C ATOM 762 OG1 THR A 530 -9.559 -14.193 9.237 1.00 72.02 O ATOM 763 CG2 THR A 530 -9.491 -16.604 9.124 1.00 65.21 C ATOM 0 H THR A 530 -8.421 -15.188 11.527 1.00 42.24 H new ATOM 0 HA THR A 530 -6.727 -15.997 9.259 1.00 24.02 H new ATOM 0 HB THR A 530 -8.485 -15.247 7.818 1.00 23.34 H new ATOM 0 HG1 THR A 530 -10.390 -14.219 8.718 1.00 72.02 H new ATOM 0 HG21 THR A 530 -10.413 -16.604 8.543 1.00 65.21 H new ATOM 0 HG22 THR A 530 -8.872 -17.449 8.822 1.00 65.21 H new ATOM 0 HG23 THR A 530 -9.730 -16.690 10.184 1.00 65.21 H new ATOM 771 N ILE A 531 -6.310 -13.531 8.421 1.00 20.41 N ATOM 772 CA ILE A 531 -5.706 -12.222 8.207 1.00 64.44 C ATOM 773 C ILE A 531 -5.334 -12.022 6.741 1.00 24.14 C ATOM 774 O ILE A 531 -4.847 -12.941 6.084 1.00 73.24 O ATOM 775 CB ILE A 531 -4.447 -12.034 9.074 1.00 33.35 C ATOM 776 CG1 ILE A 531 -3.796 -10.682 8.780 1.00 4.30 C ATOM 777 CG2 ILE A 531 -3.462 -13.167 8.831 1.00 63.41 C ATOM 778 CD1 ILE A 531 -2.926 -10.172 9.908 1.00 52.51 C ATOM 0 H ILE A 531 -6.303 -14.138 7.601 1.00 20.41 H new ATOM 0 HA ILE A 531 -6.450 -11.480 8.496 1.00 64.44 H new ATOM 0 HB ILE A 531 -4.741 -12.054 10.124 1.00 33.35 H new ATOM 0 HG12 ILE A 531 -3.192 -10.767 7.876 1.00 4.30 H new ATOM 0 HG13 ILE A 531 -4.576 -9.949 8.574 1.00 4.30 H new ATOM 0 HG21 ILE A 531 -2.578 -13.020 9.451 1.00 63.41 H new ATOM 0 HG22 ILE A 531 -3.930 -14.117 9.087 1.00 63.41 H new ATOM 0 HG23 ILE A 531 -3.171 -13.177 7.781 1.00 63.41 H new ATOM 0 HD11 ILE A 531 -2.497 -9.209 9.630 1.00 52.51 H new ATOM 0 HD12 ILE A 531 -3.529 -10.054 10.808 1.00 52.51 H new ATOM 0 HD13 ILE A 531 -2.124 -10.885 10.100 1.00 52.51 H new ATOM 790 N GLU A 532 -5.564 -10.814 6.238 1.00 53.42 N ATOM 791 CA GLU A 532 -5.252 -10.493 4.850 1.00 10.20 C ATOM 792 C GLU A 532 -4.238 -9.356 4.769 1.00 3.45 C ATOM 793 O GLU A 532 -4.431 -8.293 5.361 1.00 11.23 O ATOM 794 CB GLU A 532 -6.525 -10.110 4.093 1.00 54.31 C ATOM 795 CG GLU A 532 -6.307 -9.895 2.605 1.00 73.24 C ATOM 796 CD GLU A 532 -7.538 -10.222 1.782 1.00 72.24 C ATOM 797 OE1 GLU A 532 -7.595 -11.332 1.213 1.00 63.41 O ATOM 798 OE2 GLU A 532 -8.445 -9.367 1.707 1.00 53.03 O ATOM 0 H GLU A 532 -5.965 -10.042 6.770 1.00 53.42 H new ATOM 0 HA GLU A 532 -4.816 -11.379 4.389 1.00 10.20 H new ATOM 0 HB2 GLU A 532 -7.270 -10.893 4.233 1.00 54.31 H new ATOM 0 HB3 GLU A 532 -6.935 -9.198 4.527 1.00 54.31 H new ATOM 0 HG2 GLU A 532 -6.022 -8.858 2.429 1.00 73.24 H new ATOM 0 HG3 GLU A 532 -5.475 -10.515 2.270 1.00 73.24 H new ATOM 805 N LEU A 533 -3.156 -9.587 4.034 1.00 40.21 N ATOM 806 CA LEU A 533 -2.110 -8.583 3.875 1.00 4.33 C ATOM 807 C LEU A 533 -2.082 -8.045 2.448 1.00 33.40 C ATOM 808 O LEU A 533 -2.145 -8.797 1.474 1.00 3.55 O ATOM 809 CB LEU A 533 -0.747 -9.177 4.235 1.00 43.11 C ATOM 810 CG LEU A 533 -0.159 -8.744 5.579 1.00 72.13 C ATOM 811 CD1 LEU A 533 -1.168 -8.959 6.696 1.00 0.13 C ATOM 812 CD2 LEU A 533 1.128 -9.502 5.867 1.00 64.21 C ATOM 0 H LEU A 533 -2.980 -10.461 3.539 1.00 40.21 H new ATOM 0 HA LEU A 533 -2.330 -7.756 4.550 1.00 4.33 H new ATOM 0 HB2 LEU A 533 -0.835 -10.263 4.233 1.00 43.11 H new ATOM 0 HB3 LEU A 533 -0.039 -8.913 3.449 1.00 43.11 H new ATOM 0 HG LEU A 533 0.074 -7.680 5.527 1.00 72.13 H new ATOM 0 HD11 LEU A 533 -0.733 -8.646 7.645 1.00 0.13 H new ATOM 0 HD12 LEU A 533 -2.063 -8.371 6.496 1.00 0.13 H new ATOM 0 HD13 LEU A 533 -1.432 -10.015 6.749 1.00 0.13 H new ATOM 0 HD21 LEU A 533 1.532 -9.181 6.827 1.00 64.21 H new ATOM 0 HD22 LEU A 533 0.921 -10.572 5.900 1.00 64.21 H new ATOM 0 HD23 LEU A 533 1.855 -9.297 5.081 1.00 64.21 H new ATOM 824 N PRO A 534 -1.985 -6.714 2.318 1.00 4.05 N ATOM 825 CA PRO A 534 -1.944 -6.046 1.014 1.00 23.40 C ATOM 826 C PRO A 534 -0.641 -6.313 0.267 1.00 73.00 C ATOM 827 O PRO A 534 -0.483 -5.916 -0.888 1.00 11.14 O ATOM 828 CB PRO A 534 -2.061 -4.563 1.371 1.00 12.41 C ATOM 829 CG PRO A 534 -1.537 -4.465 2.762 1.00 3.10 C ATOM 830 CD PRO A 534 -1.906 -5.758 3.436 1.00 41.35 C ATOM 0 HA PRO A 534 -2.731 -6.402 0.349 1.00 23.40 H new ATOM 0 HB2 PRO A 534 -1.482 -3.944 0.686 1.00 12.41 H new ATOM 0 HB3 PRO A 534 -3.095 -4.222 1.313 1.00 12.41 H new ATOM 0 HG2 PRO A 534 -0.457 -4.319 2.763 1.00 3.10 H new ATOM 0 HG3 PRO A 534 -1.974 -3.614 3.285 1.00 3.10 H new ATOM 0 HD2 PRO A 534 -1.157 -6.057 4.169 1.00 41.35 H new ATOM 0 HD3 PRO A 534 -2.856 -5.679 3.965 1.00 41.35 H new ATOM 838 N LYS A 535 0.289 -6.988 0.933 1.00 65.35 N ATOM 839 CA LYS A 535 1.578 -7.310 0.332 1.00 64.33 C ATOM 840 C LYS A 535 1.401 -7.827 -1.093 1.00 11.15 C ATOM 841 O LYS A 535 0.430 -8.518 -1.396 1.00 33.52 O ATOM 842 CB LYS A 535 2.312 -8.354 1.177 1.00 73.44 C ATOM 843 CG LYS A 535 2.600 -7.895 2.595 1.00 31.35 C ATOM 844 CD LYS A 535 3.528 -6.692 2.615 1.00 61.44 C ATOM 845 CE LYS A 535 4.897 -7.035 2.046 1.00 34.43 C ATOM 846 NZ LYS A 535 5.863 -5.915 2.213 1.00 2.13 N ATOM 0 H LYS A 535 0.174 -7.323 1.890 1.00 65.35 H new ATOM 0 HA LYS A 535 2.172 -6.397 0.297 1.00 64.33 H new ATOM 0 HB2 LYS A 535 1.715 -9.265 1.213 1.00 73.44 H new ATOM 0 HB3 LYS A 535 3.252 -8.609 0.688 1.00 73.44 H new ATOM 0 HG2 LYS A 535 1.664 -7.642 3.093 1.00 31.35 H new ATOM 0 HG3 LYS A 535 3.050 -8.712 3.158 1.00 31.35 H new ATOM 0 HD2 LYS A 535 3.086 -5.880 2.038 1.00 61.44 H new ATOM 0 HD3 LYS A 535 3.638 -6.333 3.638 1.00 61.44 H new ATOM 0 HE2 LYS A 535 5.284 -7.925 2.542 1.00 34.43 H new ATOM 0 HE3 LYS A 535 4.800 -7.276 0.987 1.00 34.43 H new ATOM 0 HZ1 LYS A 535 6.783 -6.188 1.813 1.00 2.13 H new ATOM 0 HZ2 LYS A 535 5.506 -5.072 1.718 1.00 2.13 H new ATOM 0 HZ3 LYS A 535 5.975 -5.701 3.225 1.00 2.13 H new ATOM 860 N GLY A 536 2.347 -7.487 -1.963 1.00 21.31 N ATOM 861 CA GLY A 536 2.277 -7.927 -3.344 1.00 53.11 C ATOM 862 C GLY A 536 3.545 -8.623 -3.796 1.00 71.23 C ATOM 863 O GLY A 536 4.034 -8.381 -4.899 1.00 62.22 O ATOM 0 H GLY A 536 3.160 -6.915 -1.736 1.00 21.31 H new ATOM 0 HA2 GLY A 536 1.432 -8.605 -3.464 1.00 53.11 H new ATOM 0 HA3 GLY A 536 2.089 -7.067 -3.987 1.00 53.11 H new ATOM 867 N MET A 537 4.079 -9.489 -2.942 1.00 24.43 N ATOM 868 CA MET A 537 5.299 -10.223 -3.260 1.00 2.52 C ATOM 869 C MET A 537 5.645 -11.210 -2.150 1.00 3.23 C ATOM 870 O MET A 537 6.645 -11.064 -1.446 1.00 60.21 O ATOM 871 CB MET A 537 6.462 -9.252 -3.475 1.00 53.44 C ATOM 872 CG MET A 537 7.514 -9.768 -4.443 1.00 74.44 C ATOM 873 SD MET A 537 8.418 -8.440 -5.260 1.00 43.24 S ATOM 874 CE MET A 537 10.109 -8.910 -4.900 1.00 53.21 C ATOM 0 H MET A 537 3.687 -9.700 -2.024 1.00 24.43 H new ATOM 0 HA MET A 537 5.127 -10.783 -4.179 1.00 2.52 H new ATOM 0 HB2 MET A 537 6.070 -8.306 -3.848 1.00 53.44 H new ATOM 0 HB3 MET A 537 6.934 -9.045 -2.515 1.00 53.44 H new ATOM 0 HG2 MET A 537 8.217 -10.403 -3.904 1.00 74.44 H new ATOM 0 HG3 MET A 537 7.034 -10.392 -5.196 1.00 74.44 H new ATOM 0 HE1 MET A 537 10.791 -8.183 -5.341 1.00 53.21 H new ATOM 0 HE2 MET A 537 10.257 -8.938 -3.820 1.00 53.21 H new ATOM 0 HE3 MET A 537 10.310 -9.896 -5.319 1.00 53.21 H new ATOM 884 N PRO A 538 4.801 -12.239 -1.987 1.00 54.02 N ATOM 885 CA PRO A 538 4.997 -13.270 -0.964 1.00 70.31 C ATOM 886 C PRO A 538 6.189 -14.170 -1.270 1.00 25.24 C ATOM 887 O PRO A 538 6.863 -14.001 -2.285 1.00 61.11 O ATOM 888 CB PRO A 538 3.695 -14.073 -1.015 1.00 15.10 C ATOM 889 CG PRO A 538 3.176 -13.867 -2.396 1.00 41.43 C ATOM 890 CD PRO A 538 3.589 -12.475 -2.790 1.00 70.30 C ATOM 0 HA PRO A 538 5.210 -12.838 0.014 1.00 70.31 H new ATOM 0 HB2 PRO A 538 3.873 -15.129 -0.813 1.00 15.10 H new ATOM 0 HB3 PRO A 538 2.983 -13.721 -0.268 1.00 15.10 H new ATOM 0 HG2 PRO A 538 3.589 -14.606 -3.083 1.00 41.43 H new ATOM 0 HG3 PRO A 538 2.092 -13.976 -2.426 1.00 41.43 H new ATOM 0 HD2 PRO A 538 3.794 -12.404 -3.858 1.00 70.30 H new ATOM 0 HD3 PRO A 538 2.810 -11.746 -2.566 1.00 70.30 H new ATOM 898 N GLY A 539 6.445 -15.128 -0.384 1.00 33.25 N ATOM 899 CA GLY A 539 7.556 -16.041 -0.577 1.00 43.22 C ATOM 900 C GLY A 539 8.841 -15.530 0.044 1.00 42.43 C ATOM 901 O GLY A 539 9.910 -16.102 -0.167 1.00 51.23 O ATOM 0 H GLY A 539 5.902 -15.288 0.465 1.00 33.25 H new ATOM 0 HA2 GLY A 539 7.306 -17.009 -0.143 1.00 43.22 H new ATOM 0 HA3 GLY A 539 7.710 -16.200 -1.644 1.00 43.22 H new ATOM 905 N GLU A 540 8.737 -14.448 0.810 1.00 20.30 N ATOM 906 CA GLU A 540 9.901 -13.859 1.461 1.00 63.21 C ATOM 907 C GLU A 540 10.254 -14.618 2.737 1.00 74.41 C ATOM 908 O GLU A 540 11.364 -15.130 2.882 1.00 1.41 O ATOM 909 CB GLU A 540 9.641 -12.387 1.786 1.00 41.21 C ATOM 910 CG GLU A 540 8.957 -11.627 0.662 1.00 73.20 C ATOM 911 CD GLU A 540 9.108 -10.124 0.797 1.00 64.45 C ATOM 912 OE1 GLU A 540 9.425 -9.657 1.910 1.00 2.11 O ATOM 913 OE2 GLU A 540 8.910 -9.416 -0.213 1.00 24.11 O ATOM 0 H GLU A 540 7.859 -13.962 0.995 1.00 20.30 H new ATOM 0 HA GLU A 540 10.743 -13.929 0.773 1.00 63.21 H new ATOM 0 HB2 GLU A 540 9.025 -12.325 2.683 1.00 41.21 H new ATOM 0 HB3 GLU A 540 10.589 -11.902 2.017 1.00 41.21 H new ATOM 0 HG2 GLU A 540 9.374 -11.946 -0.293 1.00 73.20 H new ATOM 0 HG3 GLU A 540 7.897 -11.882 0.648 1.00 73.20 H new ATOM 920 N VAL A 541 9.300 -14.687 3.660 1.00 34.30 N ATOM 921 CA VAL A 541 9.508 -15.384 4.924 1.00 55.02 C ATOM 922 C VAL A 541 9.272 -16.882 4.771 1.00 65.45 C ATOM 923 O VAL A 541 9.906 -17.694 5.447 1.00 44.15 O ATOM 924 CB VAL A 541 8.578 -14.840 6.024 1.00 14.44 C ATOM 925 CG1 VAL A 541 8.882 -15.504 7.358 1.00 24.22 C ATOM 926 CG2 VAL A 541 8.707 -13.328 6.131 1.00 40.41 C ATOM 0 H VAL A 541 8.375 -14.269 3.556 1.00 34.30 H new ATOM 0 HA VAL A 541 10.544 -15.210 5.214 1.00 55.02 H new ATOM 0 HB VAL A 541 7.549 -15.076 5.754 1.00 14.44 H new ATOM 0 HG11 VAL A 541 8.215 -15.107 8.123 1.00 24.22 H new ATOM 0 HG12 VAL A 541 8.734 -16.580 7.271 1.00 24.22 H new ATOM 0 HG13 VAL A 541 9.916 -15.302 7.638 1.00 24.22 H new ATOM 0 HG21 VAL A 541 8.043 -12.961 6.913 1.00 40.41 H new ATOM 0 HG22 VAL A 541 9.736 -13.067 6.377 1.00 40.41 H new ATOM 0 HG23 VAL A 541 8.434 -12.871 5.180 1.00 40.41 H new ATOM 936 N LEU A 542 8.358 -17.244 3.877 1.00 11.24 N ATOM 937 CA LEU A 542 8.039 -18.646 3.634 1.00 74.22 C ATOM 938 C LEU A 542 9.230 -19.378 3.023 1.00 13.23 C ATOM 939 O LEU A 542 9.330 -20.601 3.112 1.00 21.12 O ATOM 940 CB LEU A 542 6.826 -18.760 2.708 1.00 63.31 C ATOM 941 CG LEU A 542 5.575 -17.996 3.143 1.00 63.21 C ATOM 942 CD1 LEU A 542 4.416 -18.291 2.203 1.00 4.41 C ATOM 943 CD2 LEU A 542 5.205 -18.350 4.576 1.00 64.31 C ATOM 0 H LEU A 542 7.825 -16.586 3.309 1.00 11.24 H new ATOM 0 HA LEU A 542 7.803 -19.111 4.591 1.00 74.22 H new ATOM 0 HB2 LEU A 542 7.116 -18.409 1.718 1.00 63.31 H new ATOM 0 HB3 LEU A 542 6.567 -19.814 2.609 1.00 63.31 H new ATOM 0 HG LEU A 542 5.790 -16.928 3.098 1.00 63.21 H new ATOM 0 HD11 LEU A 542 3.534 -17.739 2.528 1.00 4.41 H new ATOM 0 HD12 LEU A 542 4.682 -17.987 1.191 1.00 4.41 H new ATOM 0 HD13 LEU A 542 4.200 -19.359 2.216 1.00 4.41 H new ATOM 0 HD21 LEU A 542 4.312 -17.797 4.869 1.00 64.31 H new ATOM 0 HD22 LEU A 542 5.009 -19.420 4.647 1.00 64.31 H new ATOM 0 HD23 LEU A 542 6.029 -18.087 5.240 1.00 64.31 H new ATOM 955 N GLN A 543 10.130 -18.620 2.406 1.00 41.21 N ATOM 956 CA GLN A 543 11.315 -19.197 1.782 1.00 2.34 C ATOM 957 C GLN A 543 12.411 -19.437 2.815 1.00 4.21 C ATOM 958 O GLN A 543 12.860 -20.567 3.008 1.00 33.45 O ATOM 959 CB GLN A 543 11.834 -18.277 0.675 1.00 34.42 C ATOM 960 CG GLN A 543 11.269 -18.601 -0.699 1.00 31.14 C ATOM 961 CD GLN A 543 12.041 -19.700 -1.403 1.00 15.24 C ATOM 962 OE1 GLN A 543 12.398 -20.710 -0.796 1.00 3.21 O ATOM 963 NE2 GLN A 543 12.301 -19.508 -2.690 1.00 64.55 N ATOM 0 H GLN A 543 10.062 -17.606 2.325 1.00 41.21 H new ATOM 0 HA GLN A 543 11.035 -20.156 1.346 1.00 2.34 H new ATOM 0 HB2 GLN A 543 11.588 -17.245 0.926 1.00 34.42 H new ATOM 0 HB3 GLN A 543 12.921 -18.345 0.637 1.00 34.42 H new ATOM 0 HG2 GLN A 543 10.226 -18.902 -0.597 1.00 31.14 H new ATOM 0 HG3 GLN A 543 11.282 -17.701 -1.314 1.00 31.14 H new ATOM 0 HE21 GLN A 543 11.986 -18.655 -3.152 1.00 64.55 H new ATOM 0 HE22 GLN A 543 12.816 -20.213 -3.217 1.00 64.55 H new ATOM 972 N HIS A 544 12.840 -18.366 3.476 1.00 33.12 N ATOM 973 CA HIS A 544 13.884 -18.461 4.490 1.00 0.41 C ATOM 974 C HIS A 544 13.366 -19.167 5.739 1.00 0.24 C ATOM 975 O HIS A 544 13.935 -20.165 6.182 1.00 44.21 O ATOM 976 CB HIS A 544 14.399 -17.068 4.854 1.00 54.41 C ATOM 977 CG HIS A 544 15.330 -16.488 3.834 1.00 13.20 C ATOM 978 ND1 HIS A 544 16.698 -16.648 3.887 1.00 3.44 N ATOM 979 CD2 HIS A 544 15.082 -15.747 2.729 1.00 53.32 C ATOM 980 CE1 HIS A 544 17.252 -16.028 2.860 1.00 20.51 C ATOM 981 NE2 HIS A 544 16.293 -15.474 2.141 1.00 34.13 N ATOM 0 H HIS A 544 12.481 -17.423 3.327 1.00 33.12 H new ATOM 0 HA HIS A 544 14.705 -19.047 4.077 1.00 0.41 H new ATOM 0 HB2 HIS A 544 13.549 -16.397 4.981 1.00 54.41 H new ATOM 0 HB3 HIS A 544 14.912 -17.119 5.815 1.00 54.41 H new ATOM 0 HD2 HIS A 544 14.112 -15.429 2.375 1.00 53.32 H new ATOM 0 HE1 HIS A 544 18.309 -15.982 2.645 1.00 20.51 H new ATOM 0 HE2 HIS A 544 16.429 -14.932 1.288 1.00 34.13 H new ATOM 989 N PHE A 545 12.284 -18.642 6.304 1.00 14.00 N ATOM 990 CA PHE A 545 11.690 -19.221 7.503 1.00 31.05 C ATOM 991 C PHE A 545 10.625 -20.252 7.140 1.00 12.51 C ATOM 992 O PHE A 545 9.541 -20.275 7.724 1.00 0.35 O ATOM 993 CB PHE A 545 11.077 -18.123 8.376 1.00 61.42 C ATOM 994 CG PHE A 545 12.067 -17.464 9.293 1.00 41.44 C ATOM 995 CD1 PHE A 545 11.770 -17.273 10.633 1.00 65.25 C ATOM 996 CD2 PHE A 545 13.294 -17.033 8.814 1.00 23.32 C ATOM 997 CE1 PHE A 545 12.679 -16.667 11.479 1.00 4.30 C ATOM 998 CE2 PHE A 545 14.207 -16.427 9.656 1.00 43.31 C ATOM 999 CZ PHE A 545 13.899 -16.242 10.990 1.00 60.04 C ATOM 0 H PHE A 545 11.801 -17.816 5.951 1.00 14.00 H new ATOM 0 HA PHE A 545 12.479 -19.722 8.063 1.00 31.05 H new ATOM 0 HB2 PHE A 545 10.630 -17.365 7.732 1.00 61.42 H new ATOM 0 HB3 PHE A 545 10.271 -18.551 8.972 1.00 61.42 H new ATOM 0 HD1 PHE A 545 10.817 -17.602 11.021 1.00 65.25 H new ATOM 0 HD2 PHE A 545 13.539 -17.172 7.771 1.00 23.32 H new ATOM 0 HE1 PHE A 545 12.436 -16.526 12.522 1.00 4.30 H new ATOM 0 HE2 PHE A 545 15.161 -16.098 9.271 1.00 43.31 H new ATOM 0 HZ PHE A 545 14.610 -15.766 11.649 1.00 60.04 H new ATOM 1009 N THR A 546 10.941 -21.104 6.170 1.00 52.54 N ATOM 1010 CA THR A 546 10.012 -22.135 5.726 1.00 61.30 C ATOM 1011 C THR A 546 9.760 -23.159 6.827 1.00 10.43 C ATOM 1012 O THR A 546 8.681 -23.746 6.907 1.00 52.40 O ATOM 1013 CB THR A 546 10.538 -22.864 4.475 1.00 54.34 C ATOM 1014 OG1 THR A 546 9.499 -23.667 3.903 1.00 50.21 O ATOM 1015 CG2 THR A 546 11.732 -23.741 4.820 1.00 15.34 C ATOM 0 H THR A 546 11.834 -21.100 5.677 1.00 52.54 H new ATOM 0 HA THR A 546 9.077 -21.632 5.479 1.00 61.30 H new ATOM 0 HB THR A 546 10.857 -22.113 3.752 1.00 54.34 H new ATOM 0 HG1 THR A 546 9.841 -24.126 3.107 1.00 50.21 H new ATOM 0 HG21 THR A 546 12.085 -24.245 3.920 1.00 15.34 H new ATOM 0 HG22 THR A 546 12.532 -23.123 5.227 1.00 15.34 H new ATOM 0 HG23 THR A 546 11.436 -24.485 5.560 1.00 15.34 H new ATOM 1023 N ARG A 547 10.762 -23.367 7.675 1.00 32.24 N ATOM 1024 CA ARG A 547 10.648 -24.321 8.772 1.00 0.45 C ATOM 1025 C ARG A 547 10.525 -23.598 10.111 1.00 45.44 C ATOM 1026 O ARG A 547 10.408 -24.229 11.162 1.00 42.53 O ATOM 1027 CB ARG A 547 11.861 -25.253 8.794 1.00 74.23 C ATOM 1028 CG ARG A 547 13.183 -24.529 8.988 1.00 54.23 C ATOM 1029 CD ARG A 547 13.859 -24.237 7.657 1.00 34.21 C ATOM 1030 NE ARG A 547 15.315 -24.270 7.764 1.00 13.11 N ATOM 1031 CZ ARG A 547 16.130 -23.749 6.854 1.00 24.40 C ATOM 1032 NH1 ARG A 547 15.635 -23.159 5.775 1.00 11.33 N ATOM 1033 NH2 ARG A 547 17.445 -23.819 7.022 1.00 12.43 N ATOM 0 H ARG A 547 11.661 -22.888 7.624 1.00 32.24 H new ATOM 0 HA ARG A 547 9.746 -24.913 8.613 1.00 0.45 H new ATOM 0 HB2 ARG A 547 11.734 -25.981 9.595 1.00 74.23 H new ATOM 0 HB3 ARG A 547 11.896 -25.811 7.859 1.00 74.23 H new ATOM 0 HG2 ARG A 547 13.012 -23.595 9.523 1.00 54.23 H new ATOM 0 HG3 ARG A 547 13.844 -25.135 9.608 1.00 54.23 H new ATOM 0 HD2 ARG A 547 13.533 -24.968 6.917 1.00 34.21 H new ATOM 0 HD3 ARG A 547 13.544 -23.257 7.298 1.00 34.21 H new ATOM 0 HE ARG A 547 15.728 -24.717 8.582 1.00 13.11 H new ATOM 0 HH11 ARG A 547 14.625 -23.104 5.642 1.00 11.33 H new ATOM 0 HH12 ARG A 547 16.264 -22.760 5.078 1.00 11.33 H new ATOM 0 HH21 ARG A 547 17.830 -24.273 7.850 1.00 12.43 H new ATOM 0 HH22 ARG A 547 18.070 -23.419 6.323 1.00 12.43 H new ATOM 1047 N THR A 548 10.554 -22.269 10.065 1.00 70.25 N ATOM 1048 CA THR A 548 10.448 -21.460 11.272 1.00 30.21 C ATOM 1049 C THR A 548 9.178 -20.618 11.260 1.00 55.22 C ATOM 1050 O THR A 548 8.973 -19.800 10.363 1.00 13.40 O ATOM 1051 CB THR A 548 11.665 -20.530 11.434 1.00 63.30 C ATOM 1052 OG1 THR A 548 12.870 -21.303 11.474 1.00 62.03 O ATOM 1053 CG2 THR A 548 11.547 -19.700 12.703 1.00 21.12 C ATOM 0 H THR A 548 10.650 -21.731 9.204 1.00 70.25 H new ATOM 0 HA THR A 548 10.414 -22.152 12.114 1.00 30.21 H new ATOM 0 HB THR A 548 11.695 -19.855 10.579 1.00 63.30 H new ATOM 0 HG1 THR A 548 13.639 -20.705 11.575 1.00 62.03 H new ATOM 0 HG21 THR A 548 12.418 -19.051 12.796 1.00 21.12 H new ATOM 0 HG22 THR A 548 10.644 -19.091 12.657 1.00 21.12 H new ATOM 0 HG23 THR A 548 11.494 -20.362 13.567 1.00 21.12 H new ATOM 1061 N ARG A 549 8.327 -20.823 12.261 1.00 44.14 N ATOM 1062 CA ARG A 549 7.076 -20.082 12.364 1.00 1.00 C ATOM 1063 C ARG A 549 6.591 -20.034 13.810 1.00 52.41 C ATOM 1064 O ARG A 549 7.205 -20.621 14.701 1.00 41.01 O ATOM 1065 CB ARG A 549 6.006 -20.720 11.477 1.00 72.43 C ATOM 1066 CG ARG A 549 6.179 -20.414 9.998 1.00 73.40 C ATOM 1067 CD ARG A 549 6.905 -21.539 9.278 1.00 62.55 C ATOM 1068 NE ARG A 549 5.982 -22.423 8.571 1.00 33.43 N ATOM 1069 CZ ARG A 549 5.494 -22.163 7.364 1.00 51.05 C ATOM 1070 NH1 ARG A 549 5.840 -21.051 6.731 1.00 42.52 N ATOM 1071 NH2 ARG A 549 4.658 -23.017 6.786 1.00 42.40 N ATOM 0 H ARG A 549 8.482 -21.496 13.012 1.00 44.14 H new ATOM 0 HA ARG A 549 7.258 -19.062 12.025 1.00 1.00 H new ATOM 0 HB2 ARG A 549 6.024 -21.800 11.620 1.00 72.43 H new ATOM 0 HB3 ARG A 549 5.024 -20.372 11.799 1.00 72.43 H new ATOM 0 HG2 ARG A 549 5.202 -20.259 9.541 1.00 73.40 H new ATOM 0 HG3 ARG A 549 6.737 -19.485 9.880 1.00 73.40 H new ATOM 0 HD2 ARG A 549 7.616 -21.116 8.569 1.00 62.55 H new ATOM 0 HD3 ARG A 549 7.481 -22.119 9.999 1.00 62.55 H new ATOM 0 HE ARG A 549 5.697 -23.288 9.030 1.00 33.43 H new ATOM 0 HH11 ARG A 549 6.483 -20.393 7.171 1.00 42.52 H new ATOM 0 HH12 ARG A 549 5.464 -20.854 5.804 1.00 42.52 H new ATOM 0 HH21 ARG A 549 4.390 -23.874 7.269 1.00 42.40 H new ATOM 0 HH22 ARG A 549 4.284 -22.816 5.859 1.00 42.40 H new ATOM 1085 N ILE A 550 5.486 -19.330 14.035 1.00 63.14 N ATOM 1086 CA ILE A 550 4.919 -19.206 15.371 1.00 0.25 C ATOM 1087 C ILE A 550 3.516 -18.611 15.320 1.00 1.42 C ATOM 1088 O ILE A 550 2.987 -18.332 14.243 1.00 10.54 O ATOM 1089 CB ILE A 550 5.803 -18.330 16.279 1.00 21.31 C ATOM 1090 CG1 ILE A 550 5.628 -18.737 17.744 1.00 45.23 C ATOM 1091 CG2 ILE A 550 5.465 -16.859 16.088 1.00 21.31 C ATOM 1092 CD1 ILE A 550 6.934 -19.033 18.448 1.00 32.43 C ATOM 0 H ILE A 550 4.966 -18.837 13.309 1.00 63.14 H new ATOM 0 HA ILE A 550 4.870 -20.212 15.787 1.00 0.25 H new ATOM 0 HB ILE A 550 6.846 -18.482 16.001 1.00 21.31 H new ATOM 0 HG12 ILE A 550 5.111 -17.938 18.275 1.00 45.23 H new ATOM 0 HG13 ILE A 550 4.989 -19.619 17.794 1.00 45.23 H new ATOM 0 HG21 ILE A 550 6.098 -16.253 16.736 1.00 21.31 H new ATOM 0 HG22 ILE A 550 5.636 -16.578 15.049 1.00 21.31 H new ATOM 0 HG23 ILE A 550 4.419 -16.690 16.342 1.00 21.31 H new ATOM 0 HD11 ILE A 550 6.734 -19.315 19.482 1.00 32.43 H new ATOM 0 HD12 ILE A 550 7.443 -19.852 17.941 1.00 32.43 H new ATOM 0 HD13 ILE A 550 7.567 -18.146 18.429 1.00 32.43 H new ATOM 1104 N LEU A 551 2.919 -18.417 16.491 1.00 54.32 N ATOM 1105 CA LEU A 551 1.577 -17.852 16.581 1.00 55.05 C ATOM 1106 C LEU A 551 1.364 -16.782 15.515 1.00 53.42 C ATOM 1107 O LEU A 551 0.307 -16.717 14.889 1.00 53.40 O ATOM 1108 CB LEU A 551 1.344 -17.257 17.971 1.00 61.25 C ATOM 1109 CG LEU A 551 2.173 -16.020 18.319 1.00 61.44 C ATOM 1110 CD1 LEU A 551 1.426 -14.752 17.935 1.00 25.13 C ATOM 1111 CD2 LEU A 551 2.520 -16.010 19.800 1.00 33.33 C ATOM 0 H LEU A 551 3.343 -18.643 17.391 1.00 54.32 H new ATOM 0 HA LEU A 551 0.860 -18.655 16.412 1.00 55.05 H new ATOM 0 HB2 LEU A 551 0.289 -17.000 18.062 1.00 61.25 H new ATOM 0 HB3 LEU A 551 1.549 -18.028 18.713 1.00 61.25 H new ATOM 0 HG LEU A 551 3.102 -16.056 17.750 1.00 61.44 H new ATOM 0 HD11 LEU A 551 2.031 -13.882 18.190 1.00 25.13 H new ATOM 0 HD12 LEU A 551 1.230 -14.756 16.863 1.00 25.13 H new ATOM 0 HD13 LEU A 551 0.481 -14.708 18.477 1.00 25.13 H new ATOM 0 HD21 LEU A 551 3.110 -15.123 20.029 1.00 33.33 H new ATOM 0 HD22 LEU A 551 1.603 -15.998 20.389 1.00 33.33 H new ATOM 0 HD23 LEU A 551 3.096 -16.902 20.045 1.00 33.33 H new ATOM 1123 N ASN A 552 2.377 -15.945 15.313 1.00 73.31 N ATOM 1124 CA ASN A 552 2.301 -14.878 14.321 1.00 21.53 C ATOM 1125 C ASN A 552 2.515 -15.428 12.914 1.00 1.41 C ATOM 1126 O ASN A 552 1.633 -15.340 12.060 1.00 15.42 O ATOM 1127 CB ASN A 552 3.342 -13.799 14.623 1.00 1.52 C ATOM 1128 CG ASN A 552 3.395 -12.730 13.548 1.00 22.22 C ATOM 1129 OD1 ASN A 552 2.362 -12.246 13.087 1.00 75.11 O ATOM 1130 ND2 ASN A 552 4.604 -12.358 13.144 1.00 51.51 N ATOM 0 H ASN A 552 3.260 -15.985 15.823 1.00 73.31 H new ATOM 0 HA ASN A 552 1.305 -14.437 14.372 1.00 21.53 H new ATOM 0 HB2 ASN A 552 3.113 -13.335 15.582 1.00 1.52 H new ATOM 0 HB3 ASN A 552 4.324 -14.262 14.720 1.00 1.52 H new ATOM 0 HD21 ASN A 552 4.703 -11.643 12.423 1.00 51.51 H new ATOM 0 HD22 ASN A 552 5.433 -12.787 13.555 1.00 51.51 H new ATOM 1137 N LYS A 553 3.693 -15.995 12.679 1.00 22.34 N ATOM 1138 CA LYS A 553 4.024 -16.561 11.377 1.00 25.31 C ATOM 1139 C LYS A 553 3.081 -17.707 11.026 1.00 55.24 C ATOM 1140 O LYS A 553 2.393 -18.262 11.883 1.00 23.11 O ATOM 1141 CB LYS A 553 5.472 -17.058 11.367 1.00 10.11 C ATOM 1142 CG LYS A 553 6.421 -16.181 12.166 1.00 62.43 C ATOM 1143 CD LYS A 553 6.322 -14.725 11.746 1.00 53.54 C ATOM 1144 CE LYS A 553 6.655 -14.545 10.272 1.00 31.34 C ATOM 1145 NZ LYS A 553 7.051 -13.144 9.960 1.00 65.31 N ATOM 0 H LYS A 553 4.435 -16.075 13.374 1.00 22.34 H new ATOM 0 HA LYS A 553 3.910 -15.777 10.629 1.00 25.31 H new ATOM 0 HB2 LYS A 553 5.502 -18.071 11.768 1.00 10.11 H new ATOM 0 HB3 LYS A 553 5.822 -17.112 10.336 1.00 10.11 H new ATOM 0 HG2 LYS A 553 6.193 -16.270 13.228 1.00 62.43 H new ATOM 0 HG3 LYS A 553 7.444 -16.531 12.029 1.00 62.43 H new ATOM 0 HD2 LYS A 553 5.314 -14.357 11.940 1.00 53.54 H new ATOM 0 HD3 LYS A 553 7.002 -14.124 12.350 1.00 53.54 H new ATOM 0 HE2 LYS A 553 7.465 -15.221 9.997 1.00 31.34 H new ATOM 0 HE3 LYS A 553 5.791 -14.821 9.668 1.00 31.34 H new ATOM 0 HZ1 LYS A 553 7.270 -13.063 8.947 1.00 65.31 H new ATOM 0 HZ2 LYS A 553 6.269 -12.501 10.198 1.00 65.31 H new ATOM 0 HZ3 LYS A 553 7.891 -12.888 10.517 1.00 65.31 H new ATOM 1159 N PRO A 554 3.045 -18.071 9.735 1.00 25.23 N ATOM 1160 CA PRO A 554 2.191 -19.155 9.242 1.00 61.42 C ATOM 1161 C PRO A 554 2.661 -20.526 9.718 1.00 52.14 C ATOM 1162 O PRO A 554 3.251 -21.290 8.954 1.00 54.42 O ATOM 1163 CB PRO A 554 2.320 -19.044 7.721 1.00 61.34 C ATOM 1164 CG PRO A 554 3.640 -18.390 7.499 1.00 20.01 C ATOM 1165 CD PRO A 554 3.838 -17.453 8.659 1.00 73.33 C ATOM 0 HA PRO A 554 1.167 -19.064 9.605 1.00 61.42 H new ATOM 0 HB2 PRO A 554 2.280 -20.025 7.248 1.00 61.34 H new ATOM 0 HB3 PRO A 554 1.509 -18.452 7.297 1.00 61.34 H new ATOM 0 HG2 PRO A 554 4.439 -19.130 7.454 1.00 20.01 H new ATOM 0 HG3 PRO A 554 3.653 -17.848 6.553 1.00 20.01 H new ATOM 0 HD2 PRO A 554 4.890 -17.369 8.933 1.00 73.33 H new ATOM 0 HD3 PRO A 554 3.487 -16.447 8.428 1.00 73.33 H new ATOM 1173 N MET A 555 2.395 -20.831 10.983 1.00 10.25 N ATOM 1174 CA MET A 555 2.790 -22.111 11.560 1.00 54.02 C ATOM 1175 C MET A 555 2.170 -23.270 10.786 1.00 52.15 C ATOM 1176 O MET A 555 2.879 -24.084 10.196 1.00 51.24 O ATOM 1177 CB MET A 555 2.372 -22.183 13.030 1.00 71.22 C ATOM 1178 CG MET A 555 2.531 -23.566 13.640 1.00 62.44 C ATOM 1179 SD MET A 555 4.245 -24.125 13.656 1.00 64.11 S ATOM 1180 CE MET A 555 4.048 -25.805 14.245 1.00 24.10 C ATOM 0 H MET A 555 1.908 -20.210 11.629 1.00 10.25 H new ATOM 0 HA MET A 555 3.875 -22.192 11.494 1.00 54.02 H new ATOM 0 HB2 MET A 555 2.966 -21.471 13.603 1.00 71.22 H new ATOM 0 HB3 MET A 555 1.331 -21.873 13.119 1.00 71.22 H new ATOM 0 HG2 MET A 555 2.147 -23.555 14.660 1.00 62.44 H new ATOM 0 HG3 MET A 555 1.926 -24.278 13.079 1.00 62.44 H new ATOM 0 HE1 MET A 555 5.025 -26.285 14.309 1.00 24.10 H new ATOM 0 HE2 MET A 555 3.584 -25.793 15.231 1.00 24.10 H new ATOM 0 HE3 MET A 555 3.415 -26.361 13.554 1.00 24.10 H new ATOM 1190 N ASN A 556 0.842 -23.338 10.793 1.00 45.14 N ATOM 1191 CA ASN A 556 0.128 -24.398 10.091 1.00 33.33 C ATOM 1192 C ASN A 556 -1.126 -23.853 9.414 1.00 61.32 C ATOM 1193 O ASN A 556 -2.231 -24.345 9.642 1.00 65.42 O ATOM 1194 CB ASN A 556 -0.250 -25.517 11.064 1.00 12.03 C ATOM 1195 CG ASN A 556 -0.361 -26.866 10.380 1.00 42.33 C ATOM 1196 OD1 ASN A 556 0.588 -27.335 9.751 1.00 40.21 O ATOM 1197 ND2 ASN A 556 -1.523 -27.496 10.499 1.00 15.01 N ATOM 0 H ASN A 556 0.240 -22.672 11.277 1.00 45.14 H new ATOM 0 HA ASN A 556 0.789 -24.800 9.323 1.00 33.33 H new ATOM 0 HB2 ASN A 556 0.498 -25.574 11.855 1.00 12.03 H new ATOM 0 HB3 ASN A 556 -1.200 -25.275 11.540 1.00 12.03 H new ATOM 0 HD21 ASN A 556 -1.657 -28.407 10.059 1.00 15.01 H new ATOM 0 HD22 ASN A 556 -2.282 -27.070 11.030 1.00 15.01 H new ATOM 1204 N MET A 557 -0.946 -22.835 8.579 1.00 4.45 N ATOM 1205 CA MET A 557 -2.062 -22.224 7.867 1.00 10.01 C ATOM 1206 C MET A 557 -2.199 -22.811 6.466 1.00 42.43 C ATOM 1207 O MET A 557 -1.354 -23.590 6.025 1.00 53.31 O ATOM 1208 CB MET A 557 -1.873 -20.708 7.782 1.00 64.31 C ATOM 1209 CG MET A 557 -0.616 -20.294 7.033 1.00 12.03 C ATOM 1210 SD MET A 557 -0.910 -20.034 5.273 1.00 31.24 S ATOM 1211 CE MET A 557 0.719 -20.364 4.606 1.00 51.02 C ATOM 0 H MET A 557 -0.038 -22.416 8.379 1.00 4.45 H new ATOM 0 HA MET A 557 -2.975 -22.438 8.422 1.00 10.01 H new ATOM 0 HB2 MET A 557 -2.741 -20.269 7.290 1.00 64.31 H new ATOM 0 HB3 MET A 557 -1.837 -20.297 8.791 1.00 64.31 H new ATOM 0 HG2 MET A 557 -0.222 -19.377 7.471 1.00 12.03 H new ATOM 0 HG3 MET A 557 0.148 -21.061 7.160 1.00 12.03 H new ATOM 0 HE1 MET A 557 0.700 -20.244 3.523 1.00 51.02 H new ATOM 0 HE2 MET A 557 1.437 -19.665 5.036 1.00 51.02 H new ATOM 0 HE3 MET A 557 1.013 -21.384 4.853 1.00 51.02 H new ATOM 1221 N GLN A 558 -3.267 -22.431 5.772 1.00 71.31 N ATOM 1222 CA GLN A 558 -3.513 -22.921 4.421 1.00 75.51 C ATOM 1223 C GLN A 558 -4.211 -21.861 3.576 1.00 54.12 C ATOM 1224 O GLN A 558 -5.267 -21.349 3.951 1.00 41.41 O ATOM 1225 CB GLN A 558 -4.360 -24.195 4.464 1.00 13.42 C ATOM 1226 CG GLN A 558 -3.981 -25.139 5.593 1.00 33.33 C ATOM 1227 CD GLN A 558 -4.592 -26.517 5.431 1.00 64.52 C ATOM 1228 OE1 GLN A 558 -5.382 -26.755 4.517 1.00 64.43 O ATOM 1229 NE2 GLN A 558 -4.228 -27.435 6.319 1.00 4.11 N ATOM 0 H GLN A 558 -3.975 -21.786 6.123 1.00 71.31 H new ATOM 0 HA GLN A 558 -2.550 -23.148 3.963 1.00 75.51 H new ATOM 0 HB2 GLN A 558 -5.410 -23.920 4.568 1.00 13.42 H new ATOM 0 HB3 GLN A 558 -4.261 -24.720 3.514 1.00 13.42 H new ATOM 0 HG2 GLN A 558 -2.896 -25.230 5.637 1.00 33.33 H new ATOM 0 HG3 GLN A 558 -4.304 -24.712 6.542 1.00 33.33 H new ATOM 0 HE21 GLN A 558 -3.570 -27.195 7.061 1.00 4.11 H new ATOM 0 HE22 GLN A 558 -4.606 -28.380 6.259 1.00 4.11 H new ATOM 1238 N LEU A 559 -3.616 -21.535 2.434 1.00 24.30 N ATOM 1239 CA LEU A 559 -4.180 -20.535 1.535 1.00 41.32 C ATOM 1240 C LEU A 559 -5.584 -20.931 1.091 1.00 34.43 C ATOM 1241 O LEU A 559 -5.775 -21.963 0.446 1.00 70.12 O ATOM 1242 CB LEU A 559 -3.279 -20.353 0.312 1.00 22.21 C ATOM 1243 CG LEU A 559 -3.720 -19.290 -0.695 1.00 23.13 C ATOM 1244 CD1 LEU A 559 -4.776 -19.850 -1.634 1.00 73.32 C ATOM 1245 CD2 LEU A 559 -4.245 -18.057 0.027 1.00 64.42 C ATOM 0 H LEU A 559 -2.742 -21.949 2.109 1.00 24.30 H new ATOM 0 HA LEU A 559 -4.243 -19.591 2.076 1.00 41.32 H new ATOM 0 HB2 LEU A 559 -2.276 -20.103 0.659 1.00 22.21 H new ATOM 0 HB3 LEU A 559 -3.207 -21.309 -0.207 1.00 22.21 H new ATOM 0 HG LEU A 559 -2.854 -18.998 -1.289 1.00 23.13 H new ATOM 0 HD11 LEU A 559 -5.078 -19.079 -2.343 1.00 73.32 H new ATOM 0 HD12 LEU A 559 -4.366 -20.702 -2.176 1.00 73.32 H new ATOM 0 HD13 LEU A 559 -5.643 -20.171 -1.057 1.00 73.32 H new ATOM 0 HD21 LEU A 559 -4.554 -17.311 -0.705 1.00 64.42 H new ATOM 0 HD22 LEU A 559 -5.098 -18.334 0.646 1.00 64.42 H new ATOM 0 HD23 LEU A 559 -3.459 -17.642 0.658 1.00 64.42 H new ATOM 1257 N LEU A 560 -6.565 -20.105 1.440 1.00 65.24 N ATOM 1258 CA LEU A 560 -7.953 -20.368 1.075 1.00 25.25 C ATOM 1259 C LEU A 560 -8.484 -19.288 0.138 1.00 23.15 C ATOM 1260 O LEU A 560 -9.390 -19.533 -0.657 1.00 2.31 O ATOM 1261 CB LEU A 560 -8.824 -20.444 2.330 1.00 21.44 C ATOM 1262 CG LEU A 560 -9.284 -19.106 2.910 1.00 23.45 C ATOM 1263 CD1 LEU A 560 -10.687 -18.770 2.429 1.00 4.15 C ATOM 1264 CD2 LEU A 560 -9.233 -19.139 4.431 1.00 3.40 C ATOM 0 H LEU A 560 -6.425 -19.248 1.975 1.00 65.24 H new ATOM 0 HA LEU A 560 -7.991 -21.325 0.554 1.00 25.25 H new ATOM 0 HB2 LEU A 560 -9.707 -21.040 2.100 1.00 21.44 H new ATOM 0 HB3 LEU A 560 -8.270 -20.980 3.101 1.00 21.44 H new ATOM 0 HG LEU A 560 -8.606 -18.327 2.560 1.00 23.45 H new ATOM 0 HD11 LEU A 560 -10.998 -17.815 2.852 1.00 4.15 H new ATOM 0 HD12 LEU A 560 -10.693 -18.704 1.341 1.00 4.15 H new ATOM 0 HD13 LEU A 560 -11.378 -19.550 2.749 1.00 4.15 H new ATOM 0 HD21 LEU A 560 -9.564 -18.179 4.827 1.00 3.40 H new ATOM 0 HD22 LEU A 560 -9.888 -19.929 4.800 1.00 3.40 H new ATOM 0 HD23 LEU A 560 -8.211 -19.333 4.757 1.00 3.40 H new ATOM 1276 N GLY A 561 -7.911 -18.092 0.237 1.00 31.12 N ATOM 1277 CA GLY A 561 -8.338 -16.993 -0.609 1.00 14.04 C ATOM 1278 C GLY A 561 -7.614 -16.971 -1.940 1.00 53.50 C ATOM 1279 O GLY A 561 -7.030 -17.972 -2.354 1.00 32.33 O ATOM 0 H GLY A 561 -7.159 -17.865 0.888 1.00 31.12 H new ATOM 0 HA2 GLY A 561 -9.411 -17.069 -0.784 1.00 14.04 H new ATOM 0 HA3 GLY A 561 -8.166 -16.050 -0.089 1.00 14.04 H new ATOM 1283 N ASP A 562 -7.653 -15.826 -2.613 1.00 72.15 N ATOM 1284 CA ASP A 562 -6.996 -15.677 -3.907 1.00 20.32 C ATOM 1285 C ASP A 562 -6.834 -14.204 -4.268 1.00 11.13 C ATOM 1286 O ASP A 562 -7.627 -13.361 -3.849 1.00 31.44 O ATOM 1287 CB ASP A 562 -7.795 -16.397 -4.995 1.00 2.14 C ATOM 1288 CG ASP A 562 -7.054 -16.452 -6.316 1.00 41.11 C ATOM 1289 OD1 ASP A 562 -6.011 -17.135 -6.383 1.00 4.41 O ATOM 1290 OD2 ASP A 562 -7.517 -15.812 -7.283 1.00 50.45 O ATOM 0 H ASP A 562 -8.132 -14.988 -2.284 1.00 72.15 H new ATOM 0 HA ASP A 562 -6.005 -16.126 -3.837 1.00 20.32 H new ATOM 0 HB2 ASP A 562 -8.020 -17.411 -4.665 1.00 2.14 H new ATOM 0 HB3 ASP A 562 -8.749 -15.889 -5.138 1.00 2.14 H new ATOM 1295 N ALA A 563 -5.801 -13.901 -5.047 1.00 1.13 N ATOM 1296 CA ALA A 563 -5.536 -12.530 -5.465 1.00 4.14 C ATOM 1297 C ALA A 563 -6.649 -12.005 -6.364 1.00 54.22 C ATOM 1298 O ALA A 563 -6.981 -12.619 -7.378 1.00 13.41 O ATOM 1299 CB ALA A 563 -4.194 -12.446 -6.178 1.00 54.12 C ATOM 0 H ALA A 563 -5.134 -14.587 -5.401 1.00 1.13 H new ATOM 0 HA ALA A 563 -5.501 -11.905 -4.573 1.00 4.14 H new ATOM 0 HB1 ALA A 563 -4.009 -11.417 -6.485 1.00 54.12 H new ATOM 0 HB2 ALA A 563 -3.402 -12.772 -5.503 1.00 54.12 H new ATOM 0 HB3 ALA A 563 -4.208 -13.090 -7.058 1.00 54.12 H new ATOM 1305 N GLN A 564 -7.223 -10.867 -5.986 1.00 5.03 N ATOM 1306 CA GLN A 564 -8.300 -10.261 -6.759 1.00 33.15 C ATOM 1307 C GLN A 564 -7.899 -10.104 -8.222 1.00 34.04 C ATOM 1308 O GLN A 564 -8.735 -9.810 -9.077 1.00 40.12 O ATOM 1309 CB GLN A 564 -8.675 -8.899 -6.171 1.00 25.31 C ATOM 1310 CG GLN A 564 -7.672 -7.802 -6.490 1.00 64.53 C ATOM 1311 CD GLN A 564 -7.978 -7.093 -7.794 1.00 53.14 C ATOM 1312 OE1 GLN A 564 -9.053 -6.516 -7.963 1.00 31.22 O ATOM 1313 NE2 GLN A 564 -7.033 -7.131 -8.726 1.00 61.21 N ATOM 0 H GLN A 564 -6.960 -10.347 -5.149 1.00 5.03 H new ATOM 0 HA GLN A 564 -9.166 -10.921 -6.708 1.00 33.15 H new ATOM 0 HB2 GLN A 564 -9.654 -8.606 -6.550 1.00 25.31 H new ATOM 0 HB3 GLN A 564 -8.767 -8.992 -5.089 1.00 25.31 H new ATOM 0 HG2 GLN A 564 -7.665 -7.074 -5.678 1.00 64.53 H new ATOM 0 HG3 GLN A 564 -6.672 -8.233 -6.541 1.00 64.53 H new ATOM 0 HE21 GLN A 564 -6.157 -7.620 -8.544 1.00 61.21 H new ATOM 0 HE22 GLN A 564 -7.183 -6.671 -9.624 1.00 61.21 H new TER 1322 GLN A 564