USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 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 446 CYS SG : rot 15:sc= -0.487 USER MOD Set 1.2: A 528 MET CE :methyl -114:sc= -2.08 (180deg=-5.26!) USER MOD Set 2.1: A 442 ASN : amide:sc= -0.651! C(o=0.42!,f=-6.8!) USER MOD Set 2.2: A 524 SER OG : rot -69:sc= 1.07 USER MOD Single : A 438 MET CE :methyl 168:sc= -0.0612 (180deg=-0.331) USER MOD Single : A 441 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 454 TYR OH : rot -130:sc= 1.26 USER MOD Single : A 457 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 470 THR OG1 : rot 83:sc= 0.0381 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 475 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 478 HIS : no HE2:sc= -0.016 K(o=-0.016,f=-0.54) USER MOD Single : A 479 MET CE :methyl 138:sc= -0.0662 (180deg=-0.44) USER MOD Single : A 482 ASN : amide:sc= -0.769 K(o=-0.77,f=-3.1!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 484 GLN : amide:sc= -1.67! C(o=-1.7!,f=-4.8!) USER MOD Single : A 488 SER OG : rot 78:sc= 0.373 USER MOD Single : A 494 GLN : amide:sc= 1.21 K(o=1.2,f=-0.33) USER MOD Single : A 495 MET CE :methyl -174:sc= -2.21! (180deg=-2.36!) USER MOD Single : A 496 LYS NZ :NH3+ 136:sc= 1.3 (180deg=0.712) USER MOD Single : A 497 SER OG : rot -120:sc= 0.763 USER MOD Single : A 503 MET CE :methyl -163:sc= -0.0577 (180deg=-0.443) USER MOD Single : A 506 GLN : amide:sc= -0.186 K(o=-0.19,f=-4.2!) USER MOD Single : A 507 LYS NZ :NH3+ 165:sc= 0.752 (180deg=0.65) USER MOD Single : A 508 CYS SG : rot 80:sc= 0.594 USER MOD Single : A 509 HIS : no HE2:sc= 0.296 K(o=0.3,f=-2!) USER MOD Single : A 510 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.2) USER MOD Single : A 511 LYS NZ :NH3+ -147:sc= 0.894 (180deg=-1.07!) USER MOD Single : A 512 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.68) USER MOD Single : A 513 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 514 LYS NZ :NH3+ -166:sc= 0.883 (180deg=0.12) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0.292 K(o=0.29,f=-7.7!) USER MOD Single : A 523 CYS SG : rot 160:sc= 0.0228 USER MOD Single : A 529 ASN : amide:sc=-0.000621 X(o=-0.00062,f=0) USER MOD Single : A 533 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 536 THR OG1 : rot 180:sc= 0 USER MOD Single : A 538 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 438 0.398 17.660 -8.634 1.00 0.00 N ATOM 2 CA MET A 438 1.565 17.029 -8.030 1.00 52.33 C ATOM 3 C MET A 438 2.509 16.596 -9.133 1.00 54.21 C ATOM 4 O MET A 438 2.059 16.296 -10.238 1.00 33.13 O ATOM 5 CB MET A 438 1.176 15.775 -7.204 1.00 4.42 C ATOM 6 CG MET A 438 0.589 14.624 -8.033 1.00 22.33 C ATOM 7 SD MET A 438 0.382 13.092 -7.098 1.00 53.52 S ATOM 8 CE MET A 438 -0.735 13.616 -5.798 1.00 0.40 C ATOM 0 HA MET A 438 2.033 17.752 -7.363 1.00 52.33 H new ATOM 0 HB2 MET A 438 2.060 15.413 -6.678 1.00 4.42 H new ATOM 0 HB3 MET A 438 0.450 16.066 -6.445 1.00 4.42 H new ATOM 0 HG2 MET A 438 -0.378 14.930 -8.431 1.00 22.33 H new ATOM 0 HG3 MET A 438 1.239 14.434 -8.887 1.00 22.33 H new ATOM 0 HE1 MET A 438 -1.119 12.741 -5.274 1.00 0.40 H new ATOM 0 HE2 MET A 438 -0.201 14.255 -5.095 1.00 0.40 H new ATOM 0 HE3 MET A 438 -1.565 14.171 -6.234 1.00 0.40 H new ATOM 20 N PRO A 439 3.814 16.596 -8.882 1.00 3.41 N ATOM 21 CA PRO A 439 4.773 16.023 -9.811 1.00 62.55 C ATOM 22 C PRO A 439 4.827 14.494 -9.588 1.00 74.13 C ATOM 23 O PRO A 439 4.262 14.007 -8.591 1.00 40.42 O ATOM 24 CB PRO A 439 6.091 16.691 -9.401 1.00 34.34 C ATOM 25 CG PRO A 439 5.940 16.996 -7.946 1.00 75.24 C ATOM 26 CD PRO A 439 4.469 17.179 -7.685 1.00 11.40 C ATOM 0 HA PRO A 439 4.538 16.182 -10.863 1.00 62.55 H new ATOM 0 HB2 PRO A 439 6.939 16.030 -9.579 1.00 34.34 H new ATOM 0 HB3 PRO A 439 6.268 17.599 -9.977 1.00 34.34 H new ATOM 0 HG2 PRO A 439 6.341 16.185 -7.338 1.00 75.24 H new ATOM 0 HG3 PRO A 439 6.494 17.897 -7.681 1.00 75.24 H new ATOM 0 HD2 PRO A 439 4.159 16.669 -6.773 1.00 11.40 H new ATOM 0 HD3 PRO A 439 4.214 18.232 -7.564 1.00 11.40 H new ATOM 34 N PRO A 440 5.462 13.711 -10.495 1.00 31.15 N ATOM 35 CA PRO A 440 5.594 12.251 -10.333 1.00 65.10 C ATOM 36 C PRO A 440 6.252 11.893 -8.993 1.00 22.22 C ATOM 37 O PRO A 440 7.456 12.107 -8.790 1.00 33.11 O ATOM 38 CB PRO A 440 6.491 11.827 -11.513 1.00 2.42 C ATOM 39 CG PRO A 440 7.082 13.097 -12.029 1.00 62.32 C ATOM 40 CD PRO A 440 6.070 14.165 -11.752 1.00 41.33 C ATOM 0 HA PRO A 440 4.628 11.746 -10.331 1.00 65.10 H new ATOM 0 HB2 PRO A 440 7.267 11.134 -11.189 1.00 2.42 H new ATOM 0 HB3 PRO A 440 5.913 11.319 -12.285 1.00 2.42 H new ATOM 0 HG2 PRO A 440 8.027 13.317 -11.533 1.00 62.32 H new ATOM 0 HG3 PRO A 440 7.291 13.025 -13.096 1.00 62.32 H new ATOM 0 HD2 PRO A 440 6.534 15.146 -11.647 1.00 41.33 H new ATOM 0 HD3 PRO A 440 5.335 14.244 -12.553 1.00 41.33 H new ATOM 48 N THR A 441 5.453 11.416 -8.074 1.00 30.04 N ATOM 49 CA THR A 441 5.898 11.119 -6.736 1.00 64.35 C ATOM 50 C THR A 441 5.185 9.849 -6.279 1.00 44.52 C ATOM 51 O THR A 441 4.156 9.476 -6.862 1.00 22.14 O ATOM 52 CB THR A 441 5.494 12.298 -5.793 1.00 1.03 C ATOM 53 OG1 THR A 441 5.830 13.553 -6.422 1.00 31.15 O ATOM 54 CG2 THR A 441 6.223 12.219 -4.453 1.00 63.44 C ATOM 0 H THR A 441 4.465 11.221 -8.235 1.00 30.04 H new ATOM 0 HA THR A 441 6.979 10.985 -6.709 1.00 64.35 H new ATOM 0 HB THR A 441 4.421 12.228 -5.614 1.00 1.03 H new ATOM 0 HG1 THR A 441 5.173 13.755 -7.121 1.00 31.15 H new ATOM 0 HG21 THR A 441 5.918 13.054 -3.823 1.00 63.44 H new ATOM 0 HG22 THR A 441 5.973 11.281 -3.958 1.00 63.44 H new ATOM 0 HG23 THR A 441 7.299 12.265 -4.621 1.00 63.44 H new ATOM 62 N ASN A 442 5.724 9.170 -5.290 1.00 44.22 N ATOM 63 CA ASN A 442 5.066 8.010 -4.738 1.00 34.35 C ATOM 64 C ASN A 442 4.031 8.478 -3.731 1.00 31.11 C ATOM 65 O ASN A 442 4.376 9.042 -2.689 1.00 22.31 O ATOM 66 CB ASN A 442 6.061 7.085 -4.050 1.00 15.32 C ATOM 67 CG ASN A 442 5.393 5.843 -3.509 1.00 65.23 C ATOM 68 OD1 ASN A 442 4.420 5.338 -4.086 1.00 72.52 O ATOM 69 ND2 ASN A 442 5.876 5.354 -2.402 1.00 2.50 N ATOM 0 H ASN A 442 6.616 9.402 -4.853 1.00 44.22 H new ATOM 0 HA ASN A 442 4.594 7.453 -5.547 1.00 34.35 H new ATOM 0 HB2 ASN A 442 6.840 6.800 -4.757 1.00 15.32 H new ATOM 0 HB3 ASN A 442 6.550 7.619 -3.235 1.00 15.32 H new ATOM 0 HD21 ASN A 442 5.451 4.527 -1.982 1.00 2.50 H new ATOM 0 HD22 ASN A 442 6.679 5.798 -1.956 1.00 2.50 H new ATOM 76 N VAL A 443 2.783 8.291 -4.051 1.00 41.14 N ATOM 77 CA VAL A 443 1.695 8.758 -3.213 1.00 32.33 C ATOM 78 C VAL A 443 1.009 7.567 -2.551 1.00 31.24 C ATOM 79 O VAL A 443 0.927 6.484 -3.152 1.00 64.04 O ATOM 80 CB VAL A 443 0.666 9.556 -4.073 1.00 72.22 C ATOM 81 CG1 VAL A 443 -0.465 10.136 -3.231 1.00 62.04 C ATOM 82 CG2 VAL A 443 1.371 10.659 -4.842 1.00 45.31 C ATOM 0 H VAL A 443 2.481 7.811 -4.899 1.00 41.14 H new ATOM 0 HA VAL A 443 2.094 9.415 -2.441 1.00 32.33 H new ATOM 0 HB VAL A 443 0.216 8.855 -4.776 1.00 72.22 H new ATOM 0 HG11 VAL A 443 -1.155 10.682 -3.875 1.00 62.04 H new ATOM 0 HG12 VAL A 443 -0.998 9.327 -2.731 1.00 62.04 H new ATOM 0 HG13 VAL A 443 -0.052 10.814 -2.484 1.00 62.04 H new ATOM 0 HG21 VAL A 443 0.643 11.209 -5.439 1.00 45.31 H new ATOM 0 HG22 VAL A 443 1.854 11.340 -4.141 1.00 45.31 H new ATOM 0 HG23 VAL A 443 2.122 10.221 -5.499 1.00 45.31 H new ATOM 92 N ARG A 444 0.557 7.744 -1.317 1.00 5.12 N ATOM 93 CA ARG A 444 -0.166 6.698 -0.619 1.00 0.24 C ATOM 94 C ARG A 444 -1.671 6.830 -0.824 1.00 13.45 C ATOM 95 O ARG A 444 -2.429 7.148 0.087 1.00 62.43 O ATOM 96 CB ARG A 444 0.209 6.580 0.878 1.00 62.30 C ATOM 97 CG ARG A 444 0.038 7.854 1.693 1.00 41.45 C ATOM 98 CD ARG A 444 0.259 7.595 3.167 1.00 21.30 C ATOM 99 NE ARG A 444 0.182 8.831 3.959 1.00 52.33 N ATOM 100 CZ ARG A 444 -0.710 9.082 4.930 1.00 74.22 C ATOM 101 NH1 ARG A 444 -1.731 8.258 5.148 1.00 63.12 N ATOM 102 NH2 ARG A 444 -0.597 10.182 5.658 1.00 15.21 N ATOM 0 H ARG A 444 0.680 8.603 -0.781 1.00 5.12 H new ATOM 0 HA ARG A 444 0.151 5.758 -1.071 1.00 0.24 H new ATOM 0 HB2 ARG A 444 -0.400 5.796 1.328 1.00 62.30 H new ATOM 0 HB3 ARG A 444 1.248 6.258 0.951 1.00 62.30 H new ATOM 0 HG2 ARG A 444 0.742 8.609 1.344 1.00 41.45 H new ATOM 0 HG3 ARG A 444 -0.963 8.256 1.538 1.00 41.45 H new ATOM 0 HD2 ARG A 444 -0.487 6.886 3.527 1.00 21.30 H new ATOM 0 HD3 ARG A 444 1.235 7.131 3.312 1.00 21.30 H new ATOM 0 HE ARG A 444 0.865 9.560 3.753 1.00 52.33 H new ATOM 0 HH11 ARG A 444 -1.844 7.423 4.574 1.00 63.12 H new ATOM 0 HH12 ARG A 444 -2.401 8.461 5.890 1.00 63.12 H new ATOM 0 HH21 ARG A 444 0.166 10.835 5.480 1.00 15.21 H new ATOM 0 HH22 ARG A 444 -1.273 10.376 6.397 1.00 15.21 H new ATOM 116 N ASP A 445 -2.084 6.645 -2.043 1.00 34.33 N ATOM 117 CA ASP A 445 -3.487 6.733 -2.401 1.00 74.41 C ATOM 118 C ASP A 445 -4.008 5.388 -2.807 1.00 21.32 C ATOM 119 O ASP A 445 -5.131 5.264 -3.315 1.00 73.34 O ATOM 120 CB ASP A 445 -3.736 7.768 -3.525 1.00 35.33 C ATOM 121 CG ASP A 445 -2.933 7.538 -4.810 1.00 63.14 C ATOM 122 OD1 ASP A 445 -2.796 8.502 -5.602 1.00 42.33 O ATOM 123 OD2 ASP A 445 -2.422 6.418 -5.042 1.00 72.41 O ATOM 0 H ASP A 445 -1.465 6.428 -2.824 1.00 34.33 H new ATOM 0 HA ASP A 445 -4.027 7.074 -1.518 1.00 74.41 H new ATOM 0 HB2 ASP A 445 -4.797 7.764 -3.773 1.00 35.33 H new ATOM 0 HB3 ASP A 445 -3.502 8.761 -3.142 1.00 35.33 H new ATOM 128 N CYS A 446 -3.234 4.371 -2.542 1.00 54.31 N ATOM 129 CA CYS A 446 -3.612 3.072 -2.944 1.00 62.13 C ATOM 130 C CYS A 446 -3.981 2.283 -1.732 1.00 23.42 C ATOM 131 O CYS A 446 -3.430 2.474 -0.652 1.00 44.30 O ATOM 132 CB CYS A 446 -2.483 2.403 -3.674 1.00 44.35 C ATOM 133 SG CYS A 446 -1.767 3.413 -4.994 1.00 52.41 S ATOM 0 H CYS A 446 -2.343 4.431 -2.050 1.00 54.31 H new ATOM 0 HA CYS A 446 -4.466 3.131 -3.619 1.00 62.13 H new ATOM 0 HB2 CYS A 446 -1.701 2.148 -2.959 1.00 44.35 H new ATOM 0 HB3 CYS A 446 -2.843 1.466 -4.100 1.00 44.35 H new ATOM 0 HG CYS A 446 -2.153 4.647 -4.854 1.00 52.41 H new ATOM 139 N ILE A 447 -4.911 1.439 -1.879 1.00 15.30 N ATOM 140 CA ILE A 447 -5.355 0.656 -0.798 1.00 53.02 C ATOM 141 C ILE A 447 -5.303 -0.797 -1.213 1.00 54.01 C ATOM 142 O ILE A 447 -5.622 -1.123 -2.356 1.00 55.25 O ATOM 143 CB ILE A 447 -6.812 0.978 -0.430 1.00 0.04 C ATOM 144 CG1 ILE A 447 -7.175 2.419 -0.785 1.00 12.01 C ATOM 145 CG2 ILE A 447 -6.940 0.811 1.052 1.00 34.13 C ATOM 146 CD1 ILE A 447 -8.565 2.835 -0.328 1.00 30.12 C ATOM 0 H ILE A 447 -5.395 1.265 -2.760 1.00 15.30 H new ATOM 0 HA ILE A 447 -4.716 0.864 0.060 1.00 53.02 H new ATOM 0 HB ILE A 447 -7.478 0.315 -0.982 1.00 0.04 H new ATOM 0 HG12 ILE A 447 -6.441 3.089 -0.338 1.00 12.01 H new ATOM 0 HG13 ILE A 447 -7.106 2.545 -1.865 1.00 12.01 H new ATOM 0 HG21 ILE A 447 -7.963 1.031 1.356 1.00 34.13 H new ATOM 0 HG22 ILE A 447 -6.693 -0.215 1.325 1.00 34.13 H new ATOM 0 HG23 ILE A 447 -6.257 1.495 1.556 1.00 34.13 H new ATOM 0 HD11 ILE A 447 -8.748 3.870 -0.617 1.00 30.12 H new ATOM 0 HD12 ILE A 447 -9.310 2.191 -0.795 1.00 30.12 H new ATOM 0 HD13 ILE A 447 -8.634 2.743 0.756 1.00 30.12 H new ATOM 158 N ARG A 448 -4.892 -1.644 -0.326 1.00 41.54 N ATOM 159 CA ARG A 448 -4.864 -3.047 -0.584 1.00 65.14 C ATOM 160 C ARG A 448 -5.906 -3.703 0.285 1.00 22.41 C ATOM 161 O ARG A 448 -5.884 -3.564 1.514 1.00 10.14 O ATOM 162 CB ARG A 448 -3.491 -3.642 -0.297 1.00 4.53 C ATOM 163 CG ARG A 448 -3.367 -5.087 -0.739 1.00 11.12 C ATOM 164 CD ARG A 448 -1.992 -5.639 -0.462 1.00 63.32 C ATOM 165 NE ARG A 448 -1.809 -6.949 -1.082 1.00 70.41 N ATOM 166 CZ ARG A 448 -0.632 -7.510 -1.370 1.00 63.05 C ATOM 167 NH1 ARG A 448 0.513 -6.934 -0.994 1.00 54.51 N ATOM 168 NH2 ARG A 448 -0.616 -8.650 -2.018 1.00 12.41 N ATOM 0 H ARG A 448 -4.564 -1.380 0.603 1.00 41.54 H new ATOM 0 HA ARG A 448 -5.076 -3.223 -1.639 1.00 65.14 H new ATOM 0 HB2 ARG A 448 -2.730 -3.047 -0.802 1.00 4.53 H new ATOM 0 HB3 ARG A 448 -3.289 -3.576 0.772 1.00 4.53 H new ATOM 0 HG2 ARG A 448 -4.113 -5.691 -0.222 1.00 11.12 H new ATOM 0 HG3 ARG A 448 -3.581 -5.161 -1.805 1.00 11.12 H new ATOM 0 HD2 ARG A 448 -1.238 -4.948 -0.839 1.00 63.32 H new ATOM 0 HD3 ARG A 448 -1.841 -5.720 0.614 1.00 63.32 H new ATOM 0 HE ARG A 448 -2.649 -7.479 -1.314 1.00 70.41 H new ATOM 0 HH11 ARG A 448 0.496 -6.053 -0.479 1.00 54.51 H new ATOM 0 HH12 ARG A 448 1.404 -7.375 -1.221 1.00 54.51 H new ATOM 0 HH21 ARG A 448 -1.493 -9.093 -2.293 1.00 12.41 H new ATOM 0 HH22 ARG A 448 0.273 -9.094 -2.247 1.00 12.41 H new ATOM 182 N LEU A 449 -6.816 -4.374 -0.334 1.00 75.43 N ATOM 183 CA LEU A 449 -7.890 -5.020 0.366 1.00 14.54 C ATOM 184 C LEU A 449 -7.556 -6.483 0.402 1.00 45.33 C ATOM 185 O LEU A 449 -7.186 -7.028 -0.622 1.00 53.45 O ATOM 186 CB LEU A 449 -9.182 -4.901 -0.419 1.00 54.13 C ATOM 187 CG LEU A 449 -9.381 -3.672 -1.332 1.00 64.51 C ATOM 188 CD1 LEU A 449 -10.691 -3.789 -2.057 1.00 45.01 C ATOM 189 CD2 LEU A 449 -9.334 -2.362 -0.561 1.00 42.12 C ATOM 0 H LEU A 449 -6.842 -4.495 -1.346 1.00 75.43 H new ATOM 0 HA LEU A 449 -8.009 -4.572 1.352 1.00 14.54 H new ATOM 0 HB2 LEU A 449 -9.276 -5.793 -1.039 1.00 54.13 H new ATOM 0 HB3 LEU A 449 -10.006 -4.920 0.294 1.00 54.13 H new ATOM 0 HG LEU A 449 -8.556 -3.657 -2.045 1.00 64.51 H new ATOM 0 HD11 LEU A 449 -10.829 -2.920 -2.701 1.00 45.01 H new ATOM 0 HD12 LEU A 449 -10.691 -4.694 -2.664 1.00 45.01 H new ATOM 0 HD13 LEU A 449 -11.504 -3.837 -1.333 1.00 45.01 H new ATOM 0 HD21 LEU A 449 -9.479 -1.529 -1.249 1.00 42.12 H new ATOM 0 HD22 LEU A 449 -10.124 -2.354 0.190 1.00 42.12 H new ATOM 0 HD23 LEU A 449 -8.366 -2.263 -0.071 1.00 42.12 H new ATOM 201 N ARG A 450 -7.657 -7.110 1.529 1.00 43.22 N ATOM 202 CA ARG A 450 -7.393 -8.513 1.628 1.00 41.45 C ATOM 203 C ARG A 450 -8.572 -9.208 2.279 1.00 11.22 C ATOM 204 O ARG A 450 -9.126 -8.700 3.256 1.00 12.22 O ATOM 205 CB ARG A 450 -6.134 -8.776 2.447 1.00 11.30 C ATOM 206 CG ARG A 450 -4.872 -8.091 1.931 1.00 55.35 C ATOM 207 CD ARG A 450 -3.617 -8.627 2.605 1.00 32.21 C ATOM 208 NE ARG A 450 -3.703 -8.606 4.066 1.00 25.02 N ATOM 209 CZ ARG A 450 -2.667 -8.502 4.904 1.00 42.50 C ATOM 210 NH1 ARG A 450 -1.446 -8.229 4.457 1.00 25.01 N ATOM 211 NH2 ARG A 450 -2.867 -8.638 6.197 1.00 22.20 N ATOM 0 H ARG A 450 -7.925 -6.666 2.408 1.00 43.22 H new ATOM 0 HA ARG A 450 -7.240 -8.904 0.622 1.00 41.45 H new ATOM 0 HB2 ARG A 450 -6.312 -8.451 3.472 1.00 11.30 H new ATOM 0 HB3 ARG A 450 -5.958 -9.851 2.479 1.00 11.30 H new ATOM 0 HG2 ARG A 450 -4.795 -8.236 0.853 1.00 55.35 H new ATOM 0 HG3 ARG A 450 -4.946 -7.017 2.103 1.00 55.35 H new ATOM 0 HD2 ARG A 450 -3.439 -9.649 2.271 1.00 32.21 H new ATOM 0 HD3 ARG A 450 -2.759 -8.034 2.288 1.00 32.21 H new ATOM 0 HE ARG A 450 -4.633 -8.677 4.480 1.00 25.02 H new ATOM 0 HH11 ARG A 450 -1.287 -8.095 3.459 1.00 25.01 H new ATOM 0 HH12 ARG A 450 -0.668 -8.154 5.112 1.00 25.01 H new ATOM 0 HH21 ARG A 450 -3.806 -8.821 6.551 1.00 22.20 H new ATOM 0 HH22 ARG A 450 -2.083 -8.560 6.845 1.00 22.20 H new ATOM 225 N GLY A 451 -8.962 -10.338 1.743 1.00 30.12 N ATOM 226 CA GLY A 451 -10.073 -11.071 2.305 1.00 41.22 C ATOM 227 C GLY A 451 -11.362 -10.762 1.589 1.00 10.54 C ATOM 228 O GLY A 451 -12.413 -10.646 2.206 1.00 3.00 O ATOM 0 H GLY A 451 -8.532 -10.769 0.925 1.00 30.12 H new ATOM 0 HA2 GLY A 451 -9.871 -12.140 2.246 1.00 41.22 H new ATOM 0 HA3 GLY A 451 -10.175 -10.824 3.362 1.00 41.22 H new ATOM 232 N LEU A 452 -11.274 -10.625 0.290 1.00 5.44 N ATOM 233 CA LEU A 452 -12.421 -10.332 -0.524 1.00 43.43 C ATOM 234 C LEU A 452 -13.166 -11.611 -0.849 1.00 31.11 C ATOM 235 O LEU A 452 -12.537 -12.671 -0.985 1.00 43.43 O ATOM 236 CB LEU A 452 -11.999 -9.643 -1.830 1.00 70.44 C ATOM 237 CG LEU A 452 -11.367 -8.256 -1.704 1.00 35.31 C ATOM 238 CD1 LEU A 452 -10.885 -7.780 -3.059 1.00 43.23 C ATOM 239 CD2 LEU A 452 -12.371 -7.265 -1.136 1.00 64.02 C ATOM 0 H LEU A 452 -10.402 -10.714 -0.232 1.00 5.44 H new ATOM 0 HA LEU A 452 -13.073 -9.660 0.035 1.00 43.43 H new ATOM 0 HB2 LEU A 452 -11.291 -10.293 -2.344 1.00 70.44 H new ATOM 0 HB3 LEU A 452 -12.878 -9.559 -2.469 1.00 70.44 H new ATOM 0 HG LEU A 452 -10.517 -8.322 -1.025 1.00 35.31 H new ATOM 0 HD11 LEU A 452 -10.437 -6.792 -2.959 1.00 43.23 H new ATOM 0 HD12 LEU A 452 -10.143 -8.478 -3.447 1.00 43.23 H new ATOM 0 HD13 LEU A 452 -11.728 -7.728 -3.747 1.00 43.23 H new ATOM 0 HD21 LEU A 452 -11.906 -6.283 -1.053 1.00 64.02 H new ATOM 0 HD22 LEU A 452 -13.235 -7.202 -1.798 1.00 64.02 H new ATOM 0 HD23 LEU A 452 -12.693 -7.599 -0.150 1.00 64.02 H new ATOM 251 N PRO A 453 -14.518 -11.550 -0.919 1.00 4.14 N ATOM 252 CA PRO A 453 -15.344 -12.674 -1.333 1.00 14.25 C ATOM 253 C PRO A 453 -14.842 -13.269 -2.630 1.00 42.34 C ATOM 254 O PRO A 453 -14.380 -12.539 -3.538 1.00 22.33 O ATOM 255 CB PRO A 453 -16.710 -12.070 -1.588 1.00 62.53 C ATOM 256 CG PRO A 453 -16.746 -10.780 -0.851 1.00 40.13 C ATOM 257 CD PRO A 453 -15.326 -10.391 -0.527 1.00 55.24 C ATOM 0 HA PRO A 453 -15.342 -13.463 -0.581 1.00 14.25 H new ATOM 0 HB2 PRO A 453 -16.871 -11.912 -2.654 1.00 62.53 H new ATOM 0 HB3 PRO A 453 -17.500 -12.737 -1.242 1.00 62.53 H new ATOM 0 HG2 PRO A 453 -17.224 -10.009 -1.455 1.00 40.13 H new ATOM 0 HG3 PRO A 453 -17.332 -10.879 0.063 1.00 40.13 H new ATOM 0 HD2 PRO A 453 -15.027 -9.497 -1.075 1.00 55.24 H new ATOM 0 HD3 PRO A 453 -15.210 -10.169 0.534 1.00 55.24 H new ATOM 265 N TYR A 454 -14.944 -14.556 -2.738 1.00 74.14 N ATOM 266 CA TYR A 454 -14.474 -15.263 -3.873 1.00 11.25 C ATOM 267 C TYR A 454 -15.331 -15.002 -5.076 1.00 21.13 C ATOM 268 O TYR A 454 -16.419 -15.581 -5.259 1.00 70.22 O ATOM 269 CB TYR A 454 -14.302 -16.745 -3.600 1.00 50.40 C ATOM 270 CG TYR A 454 -13.716 -17.515 -4.757 1.00 55.04 C ATOM 271 CD1 TYR A 454 -14.483 -18.415 -5.486 1.00 33.34 C ATOM 272 CD2 TYR A 454 -12.393 -17.329 -5.127 1.00 73.31 C ATOM 273 CE1 TYR A 454 -13.944 -19.109 -6.545 1.00 63.43 C ATOM 274 CE2 TYR A 454 -11.849 -18.015 -6.182 1.00 13.12 C ATOM 275 CZ TYR A 454 -12.627 -18.904 -6.890 1.00 31.54 C ATOM 276 OH TYR A 454 -12.080 -19.599 -7.942 1.00 55.24 O ATOM 0 H TYR A 454 -15.365 -15.150 -2.024 1.00 74.14 H new ATOM 0 HA TYR A 454 -13.479 -14.879 -4.098 1.00 11.25 H new ATOM 0 HB2 TYR A 454 -13.659 -16.872 -2.729 1.00 50.40 H new ATOM 0 HB3 TYR A 454 -15.272 -17.173 -3.345 1.00 50.40 H new ATOM 0 HD1 TYR A 454 -15.517 -18.572 -5.218 1.00 33.34 H new ATOM 0 HD2 TYR A 454 -11.780 -16.632 -4.575 1.00 73.31 H new ATOM 0 HE1 TYR A 454 -14.550 -19.809 -7.101 1.00 63.43 H new ATOM 0 HE2 TYR A 454 -10.816 -17.859 -6.456 1.00 13.12 H new ATOM 0 HH TYR A 454 -11.234 -20.005 -7.661 1.00 55.24 H new ATOM 286 N ALA A 455 -14.868 -14.018 -5.774 1.00 5.41 N ATOM 287 CA ALA A 455 -15.334 -13.572 -7.078 1.00 23.55 C ATOM 288 C ALA A 455 -16.445 -12.548 -6.975 1.00 23.00 C ATOM 289 O ALA A 455 -17.341 -12.497 -7.822 1.00 33.13 O ATOM 290 CB ALA A 455 -15.670 -14.738 -8.027 1.00 31.13 C ATOM 0 H ALA A 455 -14.092 -13.450 -5.434 1.00 5.41 H new ATOM 0 HA ALA A 455 -14.493 -13.056 -7.542 1.00 23.55 H new ATOM 0 HB1 ALA A 455 -16.012 -14.342 -8.983 1.00 31.13 H new ATOM 0 HB2 ALA A 455 -14.780 -15.347 -8.184 1.00 31.13 H new ATOM 0 HB3 ALA A 455 -16.456 -15.351 -7.586 1.00 31.13 H new ATOM 296 N ALA A 456 -16.379 -11.718 -5.933 1.00 23.34 N ATOM 297 CA ALA A 456 -17.289 -10.565 -5.804 1.00 14.13 C ATOM 298 C ALA A 456 -17.175 -9.685 -7.049 1.00 40.44 C ATOM 299 O ALA A 456 -16.065 -9.465 -7.570 1.00 13.14 O ATOM 300 CB ALA A 456 -16.950 -9.744 -4.571 1.00 4.34 C ATOM 0 H ALA A 456 -15.712 -11.816 -5.168 1.00 23.34 H new ATOM 0 HA ALA A 456 -18.309 -10.937 -5.703 1.00 14.13 H new ATOM 0 HB1 ALA A 456 -17.635 -8.899 -4.497 1.00 4.34 H new ATOM 0 HB2 ALA A 456 -17.045 -10.367 -3.682 1.00 4.34 H new ATOM 0 HB3 ALA A 456 -15.927 -9.376 -4.649 1.00 4.34 H new ATOM 306 N THR A 457 -18.293 -9.211 -7.530 1.00 20.21 N ATOM 307 CA THR A 457 -18.331 -8.431 -8.721 1.00 30.14 C ATOM 308 C THR A 457 -17.887 -7.000 -8.451 1.00 53.41 C ATOM 309 O THR A 457 -17.921 -6.533 -7.298 1.00 63.42 O ATOM 310 CB THR A 457 -19.745 -8.460 -9.320 1.00 25.43 C ATOM 311 OG1 THR A 457 -20.712 -8.122 -8.305 1.00 33.51 O ATOM 312 CG2 THR A 457 -20.057 -9.837 -9.884 1.00 20.44 C ATOM 0 H THR A 457 -19.205 -9.361 -7.098 1.00 20.21 H new ATOM 0 HA THR A 457 -17.636 -8.862 -9.441 1.00 30.14 H new ATOM 0 HB THR A 457 -19.795 -7.730 -10.128 1.00 25.43 H new ATOM 0 HG1 THR A 457 -21.612 -8.140 -8.692 1.00 33.51 H new ATOM 0 HG21 THR A 457 -21.063 -9.839 -10.304 1.00 20.44 H new ATOM 0 HG22 THR A 457 -19.337 -10.082 -10.665 1.00 20.44 H new ATOM 0 HG23 THR A 457 -19.995 -10.579 -9.088 1.00 20.44 H new ATOM 320 N ILE A 458 -17.492 -6.295 -9.500 1.00 54.34 N ATOM 321 CA ILE A 458 -17.028 -4.928 -9.356 1.00 32.53 C ATOM 322 C ILE A 458 -18.185 -4.039 -8.880 1.00 52.22 C ATOM 323 O ILE A 458 -17.997 -3.117 -8.102 1.00 61.30 O ATOM 324 CB ILE A 458 -16.402 -4.383 -10.678 1.00 30.43 C ATOM 325 CG1 ILE A 458 -15.213 -5.271 -11.094 1.00 23.11 C ATOM 326 CG2 ILE A 458 -15.949 -2.926 -10.516 1.00 23.31 C ATOM 327 CD1 ILE A 458 -14.537 -4.856 -12.388 1.00 63.10 C ATOM 0 H ILE A 458 -17.484 -6.648 -10.457 1.00 54.34 H new ATOM 0 HA ILE A 458 -16.236 -4.912 -8.607 1.00 32.53 H new ATOM 0 HB ILE A 458 -17.163 -4.411 -11.458 1.00 30.43 H new ATOM 0 HG12 ILE A 458 -14.473 -5.263 -10.294 1.00 23.11 H new ATOM 0 HG13 ILE A 458 -15.562 -6.299 -11.195 1.00 23.11 H new ATOM 0 HG21 ILE A 458 -15.517 -2.573 -11.452 1.00 23.31 H new ATOM 0 HG22 ILE A 458 -16.806 -2.305 -10.255 1.00 23.31 H new ATOM 0 HG23 ILE A 458 -15.201 -2.863 -9.725 1.00 23.31 H new ATOM 0 HD11 ILE A 458 -13.713 -5.536 -12.602 1.00 63.10 H new ATOM 0 HD12 ILE A 458 -15.259 -4.893 -13.204 1.00 63.10 H new ATOM 0 HD13 ILE A 458 -14.153 -3.841 -12.289 1.00 63.10 H new ATOM 339 N GLU A 459 -19.390 -4.383 -9.289 1.00 54.31 N ATOM 340 CA GLU A 459 -20.574 -3.641 -8.881 1.00 35.42 C ATOM 341 C GLU A 459 -20.772 -3.751 -7.375 1.00 0.15 C ATOM 342 O GLU A 459 -21.088 -2.761 -6.697 1.00 14.34 O ATOM 343 CB GLU A 459 -21.814 -4.181 -9.585 1.00 14.00 C ATOM 344 CG GLU A 459 -21.802 -4.073 -11.098 1.00 13.34 C ATOM 345 CD GLU A 459 -21.795 -2.652 -11.581 1.00 45.22 C ATOM 346 OE1 GLU A 459 -22.795 -1.933 -11.369 1.00 4.10 O ATOM 347 OE2 GLU A 459 -20.810 -2.231 -12.209 1.00 15.34 O ATOM 0 H GLU A 459 -19.579 -5.173 -9.905 1.00 54.31 H new ATOM 0 HA GLU A 459 -20.429 -2.596 -9.156 1.00 35.42 H new ATOM 0 HB2 GLU A 459 -21.938 -5.229 -9.313 1.00 14.00 H new ATOM 0 HB3 GLU A 459 -22.687 -3.649 -9.207 1.00 14.00 H new ATOM 0 HG2 GLU A 459 -20.924 -4.588 -11.487 1.00 13.34 H new ATOM 0 HG3 GLU A 459 -22.676 -4.584 -11.501 1.00 13.34 H new ATOM 354 N ASP A 460 -20.531 -4.936 -6.859 1.00 23.30 N ATOM 355 CA ASP A 460 -20.739 -5.229 -5.458 1.00 73.11 C ATOM 356 C ASP A 460 -19.700 -4.507 -4.611 1.00 12.24 C ATOM 357 O ASP A 460 -20.011 -3.970 -3.536 1.00 70.34 O ATOM 358 CB ASP A 460 -20.651 -6.737 -5.218 1.00 4.55 C ATOM 359 CG ASP A 460 -21.262 -7.157 -3.907 1.00 52.41 C ATOM 360 OD1 ASP A 460 -20.576 -7.194 -2.886 1.00 53.43 O ATOM 361 OD2 ASP A 460 -22.466 -7.497 -3.894 1.00 24.12 O ATOM 0 H ASP A 460 -20.184 -5.727 -7.402 1.00 23.30 H new ATOM 0 HA ASP A 460 -21.732 -4.882 -5.171 1.00 73.11 H new ATOM 0 HB2 ASP A 460 -21.154 -7.260 -6.032 1.00 4.55 H new ATOM 0 HB3 ASP A 460 -19.605 -7.043 -5.241 1.00 4.55 H new ATOM 366 N ILE A 461 -18.477 -4.441 -5.121 1.00 45.11 N ATOM 367 CA ILE A 461 -17.406 -3.797 -4.395 1.00 62.03 C ATOM 368 C ILE A 461 -17.563 -2.263 -4.441 1.00 51.44 C ATOM 369 O ILE A 461 -17.235 -1.569 -3.485 1.00 15.32 O ATOM 370 CB ILE A 461 -15.981 -4.259 -4.869 1.00 75.11 C ATOM 371 CG1 ILE A 461 -14.923 -3.892 -3.821 1.00 71.43 C ATOM 372 CG2 ILE A 461 -15.609 -3.648 -6.216 1.00 34.34 C ATOM 373 CD1 ILE A 461 -13.537 -4.403 -4.150 1.00 33.13 C ATOM 0 H ILE A 461 -18.210 -4.824 -6.028 1.00 45.11 H new ATOM 0 HA ILE A 461 -17.486 -4.115 -3.355 1.00 62.03 H new ATOM 0 HB ILE A 461 -16.012 -5.342 -4.987 1.00 75.11 H new ATOM 0 HG12 ILE A 461 -14.886 -2.807 -3.720 1.00 71.43 H new ATOM 0 HG13 ILE A 461 -15.228 -4.292 -2.854 1.00 71.43 H new ATOM 0 HG21 ILE A 461 -14.617 -3.991 -6.510 1.00 34.34 H new ATOM 0 HG22 ILE A 461 -16.336 -3.954 -6.968 1.00 34.34 H new ATOM 0 HG23 ILE A 461 -15.607 -2.561 -6.134 1.00 34.34 H new ATOM 0 HD11 ILE A 461 -12.843 -4.105 -3.364 1.00 33.13 H new ATOM 0 HD12 ILE A 461 -13.558 -5.490 -4.222 1.00 33.13 H new ATOM 0 HD13 ILE A 461 -13.210 -3.982 -5.101 1.00 33.13 H new ATOM 385 N LEU A 462 -18.119 -1.747 -5.545 1.00 11.31 N ATOM 386 CA LEU A 462 -18.385 -0.312 -5.667 1.00 53.43 C ATOM 387 C LEU A 462 -19.468 0.100 -4.688 1.00 32.22 C ATOM 388 O LEU A 462 -19.432 1.193 -4.107 1.00 11.45 O ATOM 389 CB LEU A 462 -18.776 0.071 -7.102 1.00 33.04 C ATOM 390 CG LEU A 462 -17.687 -0.080 -8.173 1.00 42.43 C ATOM 391 CD1 LEU A 462 -18.239 0.269 -9.541 1.00 41.23 C ATOM 392 CD2 LEU A 462 -16.477 0.791 -7.852 1.00 44.02 C ATOM 0 H LEU A 462 -18.391 -2.298 -6.359 1.00 11.31 H new ATOM 0 HA LEU A 462 -17.467 0.224 -5.427 1.00 53.43 H new ATOM 0 HB2 LEU A 462 -19.631 -0.538 -7.397 1.00 33.04 H new ATOM 0 HB3 LEU A 462 -19.110 1.109 -7.099 1.00 33.04 H new ATOM 0 HG LEU A 462 -17.363 -1.121 -8.180 1.00 42.43 H new ATOM 0 HD11 LEU A 462 -17.454 0.157 -10.289 1.00 41.23 H new ATOM 0 HD12 LEU A 462 -19.067 -0.398 -9.780 1.00 41.23 H new ATOM 0 HD13 LEU A 462 -18.593 1.300 -9.538 1.00 41.23 H new ATOM 0 HD21 LEU A 462 -15.721 0.664 -8.627 1.00 44.02 H new ATOM 0 HD22 LEU A 462 -16.782 1.837 -7.810 1.00 44.02 H new ATOM 0 HD23 LEU A 462 -16.061 0.496 -6.889 1.00 44.02 H new ATOM 404 N ASP A 463 -20.420 -0.793 -4.484 1.00 12.33 N ATOM 405 CA ASP A 463 -21.481 -0.572 -3.513 1.00 41.35 C ATOM 406 C ASP A 463 -20.868 -0.526 -2.129 1.00 15.23 C ATOM 407 O ASP A 463 -21.076 0.417 -1.366 1.00 64.35 O ATOM 408 CB ASP A 463 -22.489 -1.709 -3.570 1.00 55.12 C ATOM 409 CG ASP A 463 -23.709 -1.447 -2.717 1.00 14.10 C ATOM 410 OD1 ASP A 463 -23.724 -1.850 -1.528 1.00 21.50 O ATOM 411 OD2 ASP A 463 -24.682 -0.832 -3.225 1.00 12.11 O ATOM 0 H ASP A 463 -20.481 -1.682 -4.979 1.00 12.33 H new ATOM 0 HA ASP A 463 -21.989 0.366 -3.739 1.00 41.35 H new ATOM 0 HB2 ASP A 463 -22.799 -1.863 -4.604 1.00 55.12 H new ATOM 0 HB3 ASP A 463 -22.010 -2.631 -3.240 1.00 55.12 H new ATOM 416 N PHE A 464 -20.047 -1.531 -1.873 1.00 1.21 N ATOM 417 CA PHE A 464 -19.318 -1.724 -0.606 1.00 75.13 C ATOM 418 C PHE A 464 -18.507 -0.488 -0.222 1.00 12.41 C ATOM 419 O PHE A 464 -18.470 -0.091 0.946 1.00 73.13 O ATOM 420 CB PHE A 464 -18.388 -2.951 -0.732 1.00 32.43 C ATOM 421 CG PHE A 464 -17.450 -3.181 0.426 1.00 4.45 C ATOM 422 CD1 PHE A 464 -17.903 -3.743 1.606 1.00 54.41 C ATOM 423 CD2 PHE A 464 -16.106 -2.844 0.318 1.00 4.20 C ATOM 424 CE1 PHE A 464 -17.036 -3.964 2.661 1.00 12.14 C ATOM 425 CE2 PHE A 464 -15.238 -3.060 1.369 1.00 15.20 C ATOM 426 CZ PHE A 464 -15.704 -3.623 2.544 1.00 35.32 C ATOM 0 H PHE A 464 -19.856 -2.265 -2.555 1.00 1.21 H new ATOM 0 HA PHE A 464 -20.050 -1.891 0.184 1.00 75.13 H new ATOM 0 HB2 PHE A 464 -19.005 -3.840 -0.858 1.00 32.43 H new ATOM 0 HB3 PHE A 464 -17.795 -2.843 -1.640 1.00 32.43 H new ATOM 0 HD1 PHE A 464 -18.944 -4.012 1.705 1.00 54.41 H new ATOM 0 HD2 PHE A 464 -15.737 -2.408 -0.599 1.00 4.20 H new ATOM 0 HE1 PHE A 464 -17.402 -4.404 3.577 1.00 12.14 H new ATOM 0 HE2 PHE A 464 -14.197 -2.790 1.275 1.00 15.20 H new ATOM 0 HZ PHE A 464 -15.027 -3.795 3.368 1.00 35.32 H new ATOM 436 N LEU A 465 -17.862 0.107 -1.199 1.00 50.43 N ATOM 437 CA LEU A 465 -17.055 1.291 -0.981 1.00 74.43 C ATOM 438 C LEU A 465 -17.898 2.469 -0.514 1.00 23.31 C ATOM 439 O LEU A 465 -17.470 3.258 0.353 1.00 2.24 O ATOM 440 CB LEU A 465 -16.288 1.657 -2.244 1.00 33.24 C ATOM 441 CG LEU A 465 -15.178 0.691 -2.672 1.00 54.31 C ATOM 442 CD1 LEU A 465 -14.589 1.119 -4.004 1.00 20.01 C ATOM 443 CD2 LEU A 465 -14.082 0.624 -1.610 1.00 32.12 C ATOM 0 H LEU A 465 -17.880 -0.214 -2.167 1.00 50.43 H new ATOM 0 HA LEU A 465 -16.342 1.059 -0.190 1.00 74.43 H new ATOM 0 HB2 LEU A 465 -17.001 1.743 -3.064 1.00 33.24 H new ATOM 0 HB3 LEU A 465 -15.846 2.643 -2.102 1.00 33.24 H new ATOM 0 HG LEU A 465 -15.614 -0.302 -2.783 1.00 54.31 H new ATOM 0 HD11 LEU A 465 -13.802 0.423 -4.294 1.00 20.01 H new ATOM 0 HD12 LEU A 465 -15.371 1.120 -4.764 1.00 20.01 H new ATOM 0 HD13 LEU A 465 -14.171 2.121 -3.912 1.00 20.01 H new ATOM 0 HD21 LEU A 465 -13.304 -0.067 -1.933 1.00 32.12 H new ATOM 0 HD22 LEU A 465 -13.651 1.615 -1.469 1.00 32.12 H new ATOM 0 HD23 LEU A 465 -14.508 0.276 -0.669 1.00 32.12 H new ATOM 455 N GLY A 466 -19.093 2.574 -1.039 1.00 25.42 N ATOM 456 CA GLY A 466 -19.939 3.657 -0.675 1.00 12.04 C ATOM 457 C GLY A 466 -19.649 4.871 -1.473 1.00 61.21 C ATOM 458 O GLY A 466 -19.315 4.784 -2.658 1.00 1.51 O ATOM 0 H GLY A 466 -19.490 1.922 -1.715 1.00 25.42 H new ATOM 0 HA2 GLY A 466 -20.981 3.369 -0.817 1.00 12.04 H new ATOM 0 HA3 GLY A 466 -19.811 3.879 0.384 1.00 12.04 H new ATOM 462 N GLU A 467 -19.748 5.992 -0.822 1.00 21.24 N ATOM 463 CA GLU A 467 -19.476 7.312 -1.425 1.00 15.21 C ATOM 464 C GLU A 467 -18.087 7.352 -2.053 1.00 33.32 C ATOM 465 O GLU A 467 -17.889 7.948 -3.107 1.00 64.04 O ATOM 466 CB GLU A 467 -19.580 8.420 -0.384 1.00 11.40 C ATOM 467 CG GLU A 467 -20.933 8.528 0.283 1.00 12.20 C ATOM 468 CD GLU A 467 -20.993 9.680 1.252 1.00 43.03 C ATOM 469 OE1 GLU A 467 -21.516 10.751 0.888 1.00 33.51 O ATOM 470 OE2 GLU A 467 -20.507 9.541 2.392 1.00 65.22 O ATOM 0 H GLU A 467 -20.023 6.042 0.159 1.00 21.24 H new ATOM 0 HA GLU A 467 -20.226 7.472 -2.199 1.00 15.21 H new ATOM 0 HB2 GLU A 467 -18.823 8.253 0.383 1.00 11.40 H new ATOM 0 HB3 GLU A 467 -19.347 9.372 -0.861 1.00 11.40 H new ATOM 0 HG2 GLU A 467 -21.703 8.653 -0.478 1.00 12.20 H new ATOM 0 HG3 GLU A 467 -21.153 7.599 0.809 1.00 12.20 H new ATOM 477 N PHE A 468 -17.154 6.642 -1.427 1.00 1.52 N ATOM 478 CA PHE A 468 -15.760 6.581 -1.868 1.00 73.14 C ATOM 479 C PHE A 468 -15.613 5.993 -3.272 1.00 32.42 C ATOM 480 O PHE A 468 -14.602 6.194 -3.924 1.00 3.53 O ATOM 481 CB PHE A 468 -14.910 5.788 -0.869 1.00 31.13 C ATOM 482 CG PHE A 468 -14.819 6.427 0.486 1.00 62.33 C ATOM 483 CD1 PHE A 468 -15.590 5.966 1.540 1.00 12.32 C ATOM 484 CD2 PHE A 468 -13.962 7.494 0.703 1.00 34.51 C ATOM 485 CE1 PHE A 468 -15.508 6.558 2.784 1.00 10.20 C ATOM 486 CE2 PHE A 468 -13.876 8.088 1.945 1.00 51.32 C ATOM 487 CZ PHE A 468 -14.651 7.620 2.986 1.00 31.45 C ATOM 0 H PHE A 468 -17.343 6.087 -0.592 1.00 1.52 H new ATOM 0 HA PHE A 468 -15.399 7.609 -1.910 1.00 73.14 H new ATOM 0 HB2 PHE A 468 -15.330 4.788 -0.762 1.00 31.13 H new ATOM 0 HB3 PHE A 468 -13.905 5.670 -1.274 1.00 31.13 H new ATOM 0 HD1 PHE A 468 -16.262 5.135 1.387 1.00 12.32 H new ATOM 0 HD2 PHE A 468 -13.355 7.865 -0.109 1.00 34.51 H new ATOM 0 HE1 PHE A 468 -16.114 6.190 3.599 1.00 10.20 H new ATOM 0 HE2 PHE A 468 -13.203 8.918 2.102 1.00 51.32 H new ATOM 0 HZ PHE A 468 -14.587 8.085 3.959 1.00 31.45 H new ATOM 497 N ALA A 469 -16.642 5.306 -3.753 1.00 11.12 N ATOM 498 CA ALA A 469 -16.619 4.722 -5.082 1.00 3.21 C ATOM 499 C ALA A 469 -16.634 5.799 -6.164 1.00 13.20 C ATOM 500 O ALA A 469 -16.356 5.529 -7.315 1.00 33.15 O ATOM 501 CB ALA A 469 -17.768 3.755 -5.277 1.00 52.34 C ATOM 0 H ALA A 469 -17.506 5.141 -3.237 1.00 11.12 H new ATOM 0 HA ALA A 469 -15.687 4.165 -5.175 1.00 3.21 H new ATOM 0 HB1 ALA A 469 -17.723 3.335 -6.282 1.00 52.34 H new ATOM 0 HB2 ALA A 469 -17.696 2.952 -4.544 1.00 52.34 H new ATOM 0 HB3 ALA A 469 -18.713 4.282 -5.146 1.00 52.34 H new ATOM 507 N THR A 470 -16.972 7.011 -5.791 1.00 42.24 N ATOM 508 CA THR A 470 -16.963 8.109 -6.717 1.00 34.41 C ATOM 509 C THR A 470 -15.536 8.695 -6.796 1.00 52.00 C ATOM 510 O THR A 470 -15.143 9.332 -7.785 1.00 51.22 O ATOM 511 CB THR A 470 -17.937 9.203 -6.236 1.00 52.45 C ATOM 512 OG1 THR A 470 -19.203 8.596 -5.902 1.00 1.25 O ATOM 513 CG2 THR A 470 -18.162 10.246 -7.323 1.00 52.14 C ATOM 0 H THR A 470 -17.258 7.258 -4.844 1.00 42.24 H new ATOM 0 HA THR A 470 -17.273 7.756 -7.701 1.00 34.41 H new ATOM 0 HB THR A 470 -17.505 9.693 -5.363 1.00 52.45 H new ATOM 0 HG1 THR A 470 -19.164 8.238 -4.991 1.00 1.25 H new ATOM 0 HG21 THR A 470 -18.853 11.007 -6.960 1.00 52.14 H new ATOM 0 HG22 THR A 470 -17.212 10.712 -7.582 1.00 52.14 H new ATOM 0 HG23 THR A 470 -18.583 9.766 -8.206 1.00 52.14 H new ATOM 521 N ASP A 471 -14.754 8.417 -5.772 1.00 12.23 N ATOM 522 CA ASP A 471 -13.445 8.985 -5.627 1.00 54.11 C ATOM 523 C ASP A 471 -12.339 7.968 -5.888 1.00 42.11 C ATOM 524 O ASP A 471 -11.193 8.164 -5.508 1.00 24.31 O ATOM 525 CB ASP A 471 -13.284 9.688 -4.268 1.00 14.23 C ATOM 526 CG ASP A 471 -14.209 10.894 -4.119 1.00 54.42 C ATOM 527 OD1 ASP A 471 -13.980 11.932 -4.780 1.00 70.04 O ATOM 528 OD2 ASP A 471 -15.170 10.835 -3.331 1.00 32.43 O ATOM 0 H ASP A 471 -15.019 7.785 -5.016 1.00 12.23 H new ATOM 0 HA ASP A 471 -13.341 9.749 -6.397 1.00 54.11 H new ATOM 0 HB2 ASP A 471 -13.489 8.976 -3.468 1.00 14.23 H new ATOM 0 HB3 ASP A 471 -12.250 10.011 -4.150 1.00 14.23 H new ATOM 533 N ILE A 472 -12.698 6.877 -6.489 1.00 65.00 N ATOM 534 CA ILE A 472 -11.762 5.913 -6.985 1.00 64.44 C ATOM 535 C ILE A 472 -11.301 6.425 -8.352 1.00 24.24 C ATOM 536 O ILE A 472 -12.049 7.163 -9.011 1.00 2.51 O ATOM 537 CB ILE A 472 -12.450 4.515 -7.140 1.00 52.33 C ATOM 538 CG1 ILE A 472 -11.447 3.447 -7.549 1.00 45.03 C ATOM 539 CG2 ILE A 472 -13.597 4.570 -8.151 1.00 60.54 C ATOM 540 CD1 ILE A 472 -12.060 2.073 -7.709 1.00 62.51 C ATOM 0 H ILE A 472 -13.673 6.625 -6.653 1.00 65.00 H new ATOM 0 HA ILE A 472 -10.923 5.791 -6.300 1.00 64.44 H new ATOM 0 HB ILE A 472 -12.859 4.249 -6.165 1.00 52.33 H new ATOM 0 HG12 ILE A 472 -10.980 3.740 -8.489 1.00 45.03 H new ATOM 0 HG13 ILE A 472 -10.655 3.398 -6.802 1.00 45.03 H new ATOM 0 HG21 ILE A 472 -14.054 3.584 -8.236 1.00 60.54 H new ATOM 0 HG22 ILE A 472 -14.344 5.289 -7.815 1.00 60.54 H new ATOM 0 HG23 ILE A 472 -13.211 4.876 -9.123 1.00 60.54 H new ATOM 0 HD11 ILE A 472 -11.288 1.362 -8.002 1.00 62.51 H new ATOM 0 HD12 ILE A 472 -12.503 1.760 -6.763 1.00 62.51 H new ATOM 0 HD13 ILE A 472 -12.832 2.106 -8.478 1.00 62.51 H new ATOM 552 N ARG A 473 -10.106 6.109 -8.771 1.00 21.51 N ATOM 553 CA ARG A 473 -9.674 6.577 -10.056 1.00 61.14 C ATOM 554 C ARG A 473 -9.798 5.493 -11.100 1.00 20.35 C ATOM 555 O ARG A 473 -9.767 4.286 -10.778 1.00 42.14 O ATOM 556 CB ARG A 473 -8.250 7.088 -10.027 1.00 15.24 C ATOM 557 CG ARG A 473 -7.986 8.120 -8.967 1.00 21.41 C ATOM 558 CD ARG A 473 -6.760 8.963 -9.275 1.00 2.53 C ATOM 559 NE ARG A 473 -5.586 8.191 -9.681 1.00 52.22 N ATOM 560 CZ ARG A 473 -4.430 8.167 -9.014 1.00 15.31 C ATOM 561 NH1 ARG A 473 -4.409 8.391 -7.702 1.00 34.53 N ATOM 562 NH2 ARG A 473 -3.323 7.811 -9.644 1.00 20.02 N ATOM 0 H ARG A 473 -9.430 5.544 -8.256 1.00 21.51 H new ATOM 0 HA ARG A 473 -10.329 7.407 -10.319 1.00 61.14 H new ATOM 0 HB2 ARG A 473 -7.577 6.245 -9.873 1.00 15.24 H new ATOM 0 HB3 ARG A 473 -8.009 7.514 -11.001 1.00 15.24 H new ATOM 0 HG2 ARG A 473 -8.856 8.770 -8.871 1.00 21.41 H new ATOM 0 HG3 ARG A 473 -7.851 7.624 -8.006 1.00 21.41 H new ATOM 0 HD2 ARG A 473 -7.008 9.669 -10.068 1.00 2.53 H new ATOM 0 HD3 ARG A 473 -6.507 9.551 -8.393 1.00 2.53 H new ATOM 0 HE ARG A 473 -5.655 7.633 -10.532 1.00 52.22 H new ATOM 0 HH11 ARG A 473 -5.278 8.582 -7.203 1.00 34.53 H new ATOM 0 HH12 ARG A 473 -3.524 8.372 -7.195 1.00 34.53 H new ATOM 0 HH21 ARG A 473 -3.357 7.558 -10.631 1.00 20.02 H new ATOM 0 HH22 ARG A 473 -2.435 7.790 -9.142 1.00 20.02 H new ATOM 576 N THR A 474 -9.956 5.915 -12.338 1.00 13.21 N ATOM 577 CA THR A 474 -9.996 5.014 -13.456 1.00 22.32 C ATOM 578 C THR A 474 -8.638 4.287 -13.550 1.00 62.13 C ATOM 579 O THR A 474 -7.580 4.905 -13.325 1.00 20.52 O ATOM 580 CB THR A 474 -10.347 5.775 -14.785 1.00 54.54 C ATOM 581 OG1 THR A 474 -10.478 4.861 -15.885 1.00 71.23 O ATOM 582 CG2 THR A 474 -9.311 6.848 -15.127 1.00 13.42 C ATOM 0 H THR A 474 -10.060 6.898 -12.591 1.00 13.21 H new ATOM 0 HA THR A 474 -10.784 4.276 -13.308 1.00 22.32 H new ATOM 0 HB THR A 474 -11.303 6.271 -14.615 1.00 54.54 H new ATOM 0 HG1 THR A 474 -10.698 5.359 -16.700 1.00 71.23 H new ATOM 0 HG21 THR A 474 -9.596 7.347 -16.053 1.00 13.42 H new ATOM 0 HG22 THR A 474 -9.265 7.579 -14.320 1.00 13.42 H new ATOM 0 HG23 THR A 474 -8.333 6.383 -15.251 1.00 13.42 H new ATOM 590 N HIS A 475 -8.692 2.971 -13.786 1.00 72.13 N ATOM 591 CA HIS A 475 -7.511 2.086 -13.827 1.00 51.35 C ATOM 592 C HIS A 475 -6.903 1.975 -12.408 1.00 71.10 C ATOM 593 O HIS A 475 -5.729 1.650 -12.218 1.00 34.05 O ATOM 594 CB HIS A 475 -6.474 2.586 -14.878 1.00 12.41 C ATOM 595 CG HIS A 475 -5.355 1.623 -15.181 1.00 1.44 C ATOM 596 ND1 HIS A 475 -4.019 1.906 -15.001 1.00 4.10 N ATOM 597 CD2 HIS A 475 -5.403 0.376 -15.699 1.00 72.22 C ATOM 598 CE1 HIS A 475 -3.311 0.850 -15.406 1.00 64.35 C ATOM 599 NE2 HIS A 475 -4.107 -0.115 -15.845 1.00 60.25 N ATOM 0 H HIS A 475 -9.569 2.479 -13.957 1.00 72.13 H new ATOM 0 HA HIS A 475 -7.814 1.089 -14.145 1.00 51.35 H new ATOM 0 HB2 HIS A 475 -7.000 2.811 -15.806 1.00 12.41 H new ATOM 0 HB3 HIS A 475 -6.041 3.521 -14.522 1.00 12.41 H new ATOM 0 HD2 HIS A 475 -6.305 -0.157 -15.959 1.00 72.22 H new ATOM 0 HE1 HIS A 475 -2.233 0.789 -15.380 1.00 64.35 H new ATOM 0 HE2 HIS A 475 -3.829 -1.025 -16.212 1.00 60.25 H new ATOM 607 N GLY A 476 -7.723 2.238 -11.410 1.00 12.53 N ATOM 608 CA GLY A 476 -7.275 2.160 -10.062 1.00 55.42 C ATOM 609 C GLY A 476 -7.421 0.775 -9.474 1.00 3.40 C ATOM 610 O GLY A 476 -6.755 0.443 -8.499 1.00 62.52 O ATOM 0 H GLY A 476 -8.701 2.506 -11.522 1.00 12.53 H new ATOM 0 HA2 GLY A 476 -6.229 2.461 -10.014 1.00 55.42 H new ATOM 0 HA3 GLY A 476 -7.839 2.868 -9.455 1.00 55.42 H new ATOM 614 N VAL A 477 -8.272 -0.033 -10.058 1.00 61.22 N ATOM 615 CA VAL A 477 -8.530 -1.361 -9.521 1.00 3.22 C ATOM 616 C VAL A 477 -7.569 -2.387 -10.115 1.00 62.31 C ATOM 617 O VAL A 477 -7.600 -2.662 -11.313 1.00 63.21 O ATOM 618 CB VAL A 477 -9.988 -1.837 -9.788 1.00 32.13 C ATOM 619 CG1 VAL A 477 -10.251 -3.199 -9.152 1.00 12.01 C ATOM 620 CG2 VAL A 477 -10.992 -0.828 -9.286 1.00 54.32 C ATOM 0 H VAL A 477 -8.799 0.197 -10.901 1.00 61.22 H new ATOM 0 HA VAL A 477 -8.380 -1.285 -8.444 1.00 3.22 H new ATOM 0 HB VAL A 477 -10.104 -1.933 -10.868 1.00 32.13 H new ATOM 0 HG11 VAL A 477 -11.277 -3.504 -9.356 1.00 12.01 H new ATOM 0 HG12 VAL A 477 -9.564 -3.935 -9.570 1.00 12.01 H new ATOM 0 HG13 VAL A 477 -10.100 -3.133 -8.075 1.00 12.01 H new ATOM 0 HG21 VAL A 477 -12.001 -1.188 -9.487 1.00 54.32 H new ATOM 0 HG22 VAL A 477 -10.863 -0.689 -8.213 1.00 54.32 H new ATOM 0 HG23 VAL A 477 -10.838 0.123 -9.796 1.00 54.32 H new ATOM 630 N HIS A 478 -6.740 -2.944 -9.279 1.00 52.10 N ATOM 631 CA HIS A 478 -5.819 -3.988 -9.667 1.00 64.54 C ATOM 632 C HIS A 478 -5.984 -5.158 -8.729 1.00 43.52 C ATOM 633 O HIS A 478 -5.486 -5.139 -7.616 1.00 15.15 O ATOM 634 CB HIS A 478 -4.353 -3.504 -9.671 1.00 5.53 C ATOM 635 CG HIS A 478 -4.001 -2.567 -10.792 1.00 3.31 C ATOM 636 ND1 HIS A 478 -3.945 -1.197 -10.672 1.00 64.11 N ATOM 637 CD2 HIS A 478 -3.655 -2.840 -12.070 1.00 65.13 C ATOM 638 CE1 HIS A 478 -3.575 -0.691 -11.850 1.00 71.05 C ATOM 639 NE2 HIS A 478 -3.382 -1.650 -12.739 1.00 75.22 N ATOM 0 H HIS A 478 -6.680 -2.686 -8.294 1.00 52.10 H new ATOM 0 HA HIS A 478 -6.053 -4.288 -10.689 1.00 64.54 H new ATOM 0 HB2 HIS A 478 -4.147 -3.007 -8.723 1.00 5.53 H new ATOM 0 HB3 HIS A 478 -3.698 -4.374 -9.724 1.00 5.53 H new ATOM 0 HD1 HIS A 478 -4.151 -0.661 -9.829 1.00 64.11 H new ATOM 0 HD2 HIS A 478 -3.599 -3.827 -12.504 1.00 65.13 H new ATOM 0 HE1 HIS A 478 -3.450 0.363 -12.051 1.00 71.05 H new ATOM 647 N MET A 479 -6.735 -6.144 -9.146 1.00 5.50 N ATOM 648 CA MET A 479 -6.980 -7.305 -8.313 1.00 33.23 C ATOM 649 C MET A 479 -5.848 -8.286 -8.458 1.00 43.10 C ATOM 650 O MET A 479 -5.347 -8.491 -9.558 1.00 61.23 O ATOM 651 CB MET A 479 -8.321 -7.971 -8.647 1.00 11.10 C ATOM 652 CG MET A 479 -9.530 -7.056 -8.460 1.00 44.31 C ATOM 653 SD MET A 479 -11.110 -7.876 -8.772 1.00 50.01 S ATOM 654 CE MET A 479 -11.146 -9.097 -7.454 1.00 62.21 C ATOM 0 H MET A 479 -7.191 -6.171 -10.058 1.00 5.50 H new ATOM 0 HA MET A 479 -7.035 -6.972 -7.276 1.00 33.23 H new ATOM 0 HB2 MET A 479 -8.296 -8.317 -9.680 1.00 11.10 H new ATOM 0 HB3 MET A 479 -8.444 -8.853 -8.018 1.00 11.10 H new ATOM 0 HG2 MET A 479 -9.527 -6.666 -7.442 1.00 44.31 H new ATOM 0 HG3 MET A 479 -9.435 -6.201 -9.129 1.00 44.31 H new ATOM 0 HE1 MET A 479 -12.147 -9.140 -7.025 1.00 62.21 H new ATOM 0 HE2 MET A 479 -10.881 -10.075 -7.857 1.00 62.21 H new ATOM 0 HE3 MET A 479 -10.431 -8.818 -6.680 1.00 62.21 H new ATOM 664 N VAL A 480 -5.438 -8.884 -7.362 1.00 25.10 N ATOM 665 CA VAL A 480 -4.335 -9.804 -7.401 1.00 63.42 C ATOM 666 C VAL A 480 -4.829 -11.178 -7.807 1.00 43.31 C ATOM 667 O VAL A 480 -5.402 -11.935 -6.992 1.00 50.42 O ATOM 668 CB VAL A 480 -3.571 -9.887 -6.050 1.00 63.12 C ATOM 669 CG1 VAL A 480 -2.351 -10.795 -6.169 1.00 71.14 C ATOM 670 CG2 VAL A 480 -3.153 -8.500 -5.585 1.00 24.35 C ATOM 0 H VAL A 480 -5.852 -8.748 -6.440 1.00 25.10 H new ATOM 0 HA VAL A 480 -3.627 -9.428 -8.140 1.00 63.42 H new ATOM 0 HB VAL A 480 -4.245 -10.315 -5.308 1.00 63.12 H new ATOM 0 HG11 VAL A 480 -1.833 -10.836 -5.211 1.00 71.14 H new ATOM 0 HG12 VAL A 480 -2.670 -11.798 -6.453 1.00 71.14 H new ATOM 0 HG13 VAL A 480 -1.676 -10.400 -6.929 1.00 71.14 H new ATOM 0 HG21 VAL A 480 -2.620 -8.579 -4.638 1.00 24.35 H new ATOM 0 HG22 VAL A 480 -2.501 -8.047 -6.332 1.00 24.35 H new ATOM 0 HG23 VAL A 480 -4.039 -7.879 -5.452 1.00 24.35 H new ATOM 680 N LEU A 481 -4.677 -11.473 -9.058 1.00 21.12 N ATOM 681 CA LEU A 481 -5.044 -12.754 -9.574 1.00 45.44 C ATOM 682 C LEU A 481 -3.875 -13.684 -9.378 1.00 54.51 C ATOM 683 O LEU A 481 -2.731 -13.236 -9.253 1.00 25.55 O ATOM 684 CB LEU A 481 -5.389 -12.676 -11.071 1.00 51.11 C ATOM 685 CG LEU A 481 -6.468 -11.671 -11.489 1.00 31.32 C ATOM 686 CD1 LEU A 481 -6.717 -11.760 -12.982 1.00 71.52 C ATOM 687 CD2 LEU A 481 -7.763 -11.891 -10.720 1.00 1.00 C ATOM 0 H LEU A 481 -4.294 -10.832 -9.753 1.00 21.12 H new ATOM 0 HA LEU A 481 -5.928 -13.115 -9.047 1.00 45.44 H new ATOM 0 HB2 LEU A 481 -4.476 -12.438 -11.616 1.00 51.11 H new ATOM 0 HB3 LEU A 481 -5.706 -13.667 -11.397 1.00 51.11 H new ATOM 0 HG LEU A 481 -6.106 -10.671 -11.248 1.00 31.32 H new ATOM 0 HD11 LEU A 481 -7.485 -11.041 -13.266 1.00 71.52 H new ATOM 0 HD12 LEU A 481 -5.795 -11.537 -13.519 1.00 71.52 H new ATOM 0 HD13 LEU A 481 -7.050 -12.766 -13.236 1.00 71.52 H new ATOM 0 HD21 LEU A 481 -8.506 -11.161 -11.042 1.00 1.00 H new ATOM 0 HD22 LEU A 481 -8.135 -12.897 -10.914 1.00 1.00 H new ATOM 0 HD23 LEU A 481 -7.577 -11.773 -9.653 1.00 1.00 H new ATOM 699 N ASN A 482 -4.148 -14.938 -9.326 1.00 53.04 N ATOM 700 CA ASN A 482 -3.105 -15.927 -9.188 1.00 33.43 C ATOM 701 C ASN A 482 -2.788 -16.426 -10.597 1.00 72.33 C ATOM 702 O ASN A 482 -3.416 -15.963 -11.543 1.00 60.31 O ATOM 703 CB ASN A 482 -3.574 -17.066 -8.244 1.00 13.22 C ATOM 704 CG ASN A 482 -2.471 -18.062 -7.897 1.00 20.23 C ATOM 705 OD1 ASN A 482 -1.290 -17.725 -7.898 1.00 64.24 O ATOM 706 ND2 ASN A 482 -2.840 -19.267 -7.583 1.00 44.45 N ATOM 0 H ASN A 482 -5.092 -15.321 -9.376 1.00 53.04 H new ATOM 0 HA ASN A 482 -2.204 -15.513 -8.736 1.00 33.43 H new ATOM 0 HB2 ASN A 482 -3.960 -16.628 -7.323 1.00 13.22 H new ATOM 0 HB3 ASN A 482 -4.400 -17.600 -8.714 1.00 13.22 H new ATOM 0 HD21 ASN A 482 -2.141 -19.964 -7.328 1.00 44.45 H new ATOM 0 HD22 ASN A 482 -3.829 -19.516 -7.592 1.00 44.45 H new ATOM 713 N HIS A 483 -1.875 -17.367 -10.753 1.00 30.22 N ATOM 714 CA HIS A 483 -1.480 -17.873 -12.090 1.00 12.42 C ATOM 715 C HIS A 483 -2.628 -18.609 -12.795 1.00 64.23 C ATOM 716 O HIS A 483 -2.537 -18.950 -13.970 1.00 24.44 O ATOM 717 CB HIS A 483 -0.246 -18.774 -12.003 1.00 2.45 C ATOM 718 CG HIS A 483 0.995 -18.073 -11.545 1.00 74.34 C ATOM 719 ND1 HIS A 483 2.058 -17.782 -12.364 1.00 12.32 N ATOM 720 CD2 HIS A 483 1.340 -17.626 -10.314 1.00 35.14 C ATOM 721 CE1 HIS A 483 2.994 -17.185 -11.632 1.00 40.04 C ATOM 722 NE2 HIS A 483 2.609 -17.064 -10.367 1.00 43.45 N ATOM 0 H HIS A 483 -1.381 -17.809 -9.978 1.00 30.22 H new ATOM 0 HA HIS A 483 -1.230 -16.998 -12.690 1.00 12.42 H new ATOM 0 HB2 HIS A 483 -0.458 -19.597 -11.320 1.00 2.45 H new ATOM 0 HB3 HIS A 483 -0.061 -19.213 -12.983 1.00 2.45 H new ATOM 0 HD2 HIS A 483 0.724 -17.696 -9.429 1.00 35.14 H new ATOM 0 HE1 HIS A 483 3.944 -16.843 -12.016 1.00 40.04 H new ATOM 0 HE2 HIS A 483 3.134 -16.647 -9.598 1.00 43.45 H new ATOM 730 N GLN A 484 -3.688 -18.855 -12.056 1.00 14.50 N ATOM 731 CA GLN A 484 -4.892 -19.466 -12.558 1.00 34.41 C ATOM 732 C GLN A 484 -5.749 -18.384 -13.255 1.00 32.22 C ATOM 733 O GLN A 484 -6.698 -18.678 -13.984 1.00 1.04 O ATOM 734 CB GLN A 484 -5.652 -20.077 -11.370 1.00 2.03 C ATOM 735 CG GLN A 484 -6.845 -20.943 -11.723 1.00 53.44 C ATOM 736 CD GLN A 484 -7.523 -21.493 -10.482 1.00 45.33 C ATOM 737 OE1 GLN A 484 -8.439 -20.886 -9.938 1.00 31.21 O ATOM 738 NE2 GLN A 484 -7.077 -22.629 -10.021 1.00 25.05 N ATOM 0 H GLN A 484 -3.734 -18.628 -11.063 1.00 14.50 H new ATOM 0 HA GLN A 484 -4.663 -20.249 -13.281 1.00 34.41 H new ATOM 0 HB2 GLN A 484 -4.953 -20.675 -10.785 1.00 2.03 H new ATOM 0 HB3 GLN A 484 -5.994 -19.266 -10.726 1.00 2.03 H new ATOM 0 HG2 GLN A 484 -7.561 -20.359 -12.301 1.00 53.44 H new ATOM 0 HG3 GLN A 484 -6.521 -21.768 -12.357 1.00 53.44 H new ATOM 0 HE21 GLN A 484 -6.313 -23.108 -10.498 1.00 25.05 H new ATOM 0 HE22 GLN A 484 -7.492 -23.038 -9.184 1.00 25.05 H new ATOM 747 N GLY A 485 -5.374 -17.134 -13.030 1.00 33.24 N ATOM 748 CA GLY A 485 -6.086 -15.997 -13.561 1.00 30.31 C ATOM 749 C GLY A 485 -7.356 -15.752 -12.813 1.00 62.33 C ATOM 750 O GLY A 485 -8.334 -15.262 -13.359 1.00 12.11 O ATOM 0 H GLY A 485 -4.560 -16.885 -12.468 1.00 33.24 H new ATOM 0 HA2 GLY A 485 -5.453 -15.111 -13.506 1.00 30.31 H new ATOM 0 HA3 GLY A 485 -6.309 -16.165 -14.615 1.00 30.31 H new ATOM 754 N ARG A 486 -7.342 -16.122 -11.559 1.00 12.23 N ATOM 755 CA ARG A 486 -8.478 -15.982 -10.689 1.00 52.24 C ATOM 756 C ARG A 486 -7.995 -15.371 -9.382 1.00 13.43 C ATOM 757 O ARG A 486 -6.830 -15.577 -9.012 1.00 50.21 O ATOM 758 CB ARG A 486 -9.183 -17.347 -10.509 1.00 54.32 C ATOM 759 CG ARG A 486 -9.778 -17.859 -11.821 1.00 51.03 C ATOM 760 CD ARG A 486 -10.420 -19.227 -11.710 1.00 63.23 C ATOM 761 NE ARG A 486 -11.535 -19.258 -10.765 1.00 4.24 N ATOM 762 CZ ARG A 486 -12.823 -19.324 -11.108 1.00 41.31 C ATOM 763 NH1 ARG A 486 -13.201 -19.118 -12.370 1.00 13.30 N ATOM 764 NH2 ARG A 486 -13.728 -19.537 -10.175 1.00 13.43 N ATOM 0 H ARG A 486 -6.527 -16.536 -11.107 1.00 12.23 H new ATOM 0 HA ARG A 486 -9.228 -15.316 -11.115 1.00 52.24 H new ATOM 0 HB2 ARG A 486 -8.470 -18.076 -10.125 1.00 54.32 H new ATOM 0 HB3 ARG A 486 -9.974 -17.252 -9.765 1.00 54.32 H new ATOM 0 HG2 ARG A 486 -10.523 -17.146 -12.174 1.00 51.03 H new ATOM 0 HG3 ARG A 486 -8.992 -17.897 -12.575 1.00 51.03 H new ATOM 0 HD2 ARG A 486 -10.775 -19.537 -12.693 1.00 63.23 H new ATOM 0 HD3 ARG A 486 -9.667 -19.952 -11.400 1.00 63.23 H new ATOM 0 HE ARG A 486 -11.312 -19.227 -9.770 1.00 4.24 H new ATOM 0 HH11 ARG A 486 -12.503 -18.908 -13.084 1.00 13.30 H new ATOM 0 HH12 ARG A 486 -14.188 -19.171 -12.622 1.00 13.30 H new ATOM 0 HH21 ARG A 486 -13.441 -19.649 -9.203 1.00 13.43 H new ATOM 0 HH22 ARG A 486 -14.716 -19.589 -10.425 1.00 13.43 H new ATOM 778 N PRO A 487 -8.846 -14.564 -8.707 1.00 2.45 N ATOM 779 CA PRO A 487 -8.467 -13.795 -7.504 1.00 45.51 C ATOM 780 C PRO A 487 -7.871 -14.624 -6.367 1.00 24.55 C ATOM 781 O PRO A 487 -8.375 -15.704 -6.015 1.00 53.14 O ATOM 782 CB PRO A 487 -9.785 -13.138 -7.052 1.00 11.43 C ATOM 783 CG PRO A 487 -10.857 -13.901 -7.755 1.00 31.42 C ATOM 784 CD PRO A 487 -10.259 -14.334 -9.058 1.00 22.12 C ATOM 0 HA PRO A 487 -7.670 -13.093 -7.750 1.00 45.51 H new ATOM 0 HB2 PRO A 487 -9.904 -13.196 -5.970 1.00 11.43 H new ATOM 0 HB3 PRO A 487 -9.812 -12.082 -7.320 1.00 11.43 H new ATOM 0 HG2 PRO A 487 -11.176 -14.761 -7.166 1.00 31.42 H new ATOM 0 HG3 PRO A 487 -11.738 -13.280 -7.916 1.00 31.42 H new ATOM 0 HD2 PRO A 487 -10.733 -15.238 -9.440 1.00 22.12 H new ATOM 0 HD3 PRO A 487 -10.366 -13.568 -9.827 1.00 22.12 H new ATOM 792 N SER A 488 -6.789 -14.117 -5.811 1.00 31.43 N ATOM 793 CA SER A 488 -6.162 -14.726 -4.672 1.00 5.45 C ATOM 794 C SER A 488 -7.004 -14.423 -3.418 1.00 21.31 C ATOM 795 O SER A 488 -7.137 -15.257 -2.515 1.00 4.35 O ATOM 796 CB SER A 488 -4.745 -14.174 -4.525 1.00 21.33 C ATOM 797 OG SER A 488 -4.034 -14.291 -5.754 1.00 31.33 O ATOM 0 H SER A 488 -6.325 -13.271 -6.142 1.00 31.43 H new ATOM 0 HA SER A 488 -6.101 -15.807 -4.801 1.00 5.45 H new ATOM 0 HB2 SER A 488 -4.786 -13.128 -4.220 1.00 21.33 H new ATOM 0 HB3 SER A 488 -4.217 -14.715 -3.740 1.00 21.33 H new ATOM 0 HG SER A 488 -4.325 -13.585 -6.369 1.00 31.33 H new ATOM 803 N GLY A 489 -7.603 -13.240 -3.411 1.00 3.42 N ATOM 804 CA GLY A 489 -8.441 -12.817 -2.307 1.00 35.24 C ATOM 805 C GLY A 489 -8.169 -11.393 -1.950 1.00 54.21 C ATOM 806 O GLY A 489 -8.942 -10.758 -1.239 1.00 33.23 O ATOM 0 H GLY A 489 -7.521 -12.556 -4.163 1.00 3.42 H new ATOM 0 HA2 GLY A 489 -9.491 -12.935 -2.575 1.00 35.24 H new ATOM 0 HA3 GLY A 489 -8.260 -13.455 -1.442 1.00 35.24 H new ATOM 810 N ASP A 490 -7.061 -10.894 -2.415 1.00 62.42 N ATOM 811 CA ASP A 490 -6.687 -9.547 -2.177 1.00 24.13 C ATOM 812 C ASP A 490 -6.622 -8.775 -3.479 1.00 53.52 C ATOM 813 O ASP A 490 -6.528 -9.366 -4.572 1.00 44.12 O ATOM 814 CB ASP A 490 -5.360 -9.477 -1.415 1.00 50.25 C ATOM 815 CG ASP A 490 -4.174 -10.030 -2.158 1.00 63.25 C ATOM 816 OD1 ASP A 490 -4.245 -11.173 -2.668 1.00 12.44 O ATOM 817 OD2 ASP A 490 -3.123 -9.375 -2.157 1.00 4.32 O ATOM 0 H ASP A 490 -6.391 -11.423 -2.974 1.00 62.42 H new ATOM 0 HA ASP A 490 -7.449 -9.081 -1.552 1.00 24.13 H new ATOM 0 HB2 ASP A 490 -5.158 -8.437 -1.160 1.00 50.25 H new ATOM 0 HB3 ASP A 490 -5.468 -10.020 -0.476 1.00 50.25 H new ATOM 822 N ALA A 491 -6.718 -7.479 -3.373 1.00 21.05 N ATOM 823 CA ALA A 491 -6.715 -6.594 -4.510 1.00 32.34 C ATOM 824 C ALA A 491 -6.239 -5.230 -4.085 1.00 42.33 C ATOM 825 O ALA A 491 -6.132 -4.957 -2.901 1.00 55.03 O ATOM 826 CB ALA A 491 -8.119 -6.480 -5.082 1.00 12.34 C ATOM 0 H ALA A 491 -6.802 -6.997 -2.478 1.00 21.05 H new ATOM 0 HA ALA A 491 -6.047 -6.996 -5.272 1.00 32.34 H new ATOM 0 HB1 ALA A 491 -8.109 -5.809 -5.941 1.00 12.34 H new ATOM 0 HB2 ALA A 491 -8.466 -7.465 -5.395 1.00 12.34 H new ATOM 0 HB3 ALA A 491 -8.791 -6.084 -4.321 1.00 12.34 H new ATOM 832 N PHE A 492 -5.949 -4.401 -5.037 1.00 11.34 N ATOM 833 CA PHE A 492 -5.559 -3.040 -4.798 1.00 4.13 C ATOM 834 C PHE A 492 -6.545 -2.117 -5.478 1.00 72.34 C ATOM 835 O PHE A 492 -7.066 -2.434 -6.552 1.00 32.11 O ATOM 836 CB PHE A 492 -4.197 -2.742 -5.398 1.00 4.35 C ATOM 837 CG PHE A 492 -3.012 -3.441 -4.811 1.00 35.43 C ATOM 838 CD1 PHE A 492 -2.252 -2.828 -3.832 1.00 21.35 C ATOM 839 CD2 PHE A 492 -2.633 -4.689 -5.265 1.00 22.20 C ATOM 840 CE1 PHE A 492 -1.137 -3.447 -3.317 1.00 13.13 C ATOM 841 CE2 PHE A 492 -1.523 -5.316 -4.749 1.00 42.11 C ATOM 842 CZ PHE A 492 -0.773 -4.693 -3.775 1.00 42.20 C ATOM 0 H PHE A 492 -5.976 -4.653 -6.025 1.00 11.34 H new ATOM 0 HA PHE A 492 -5.531 -2.889 -3.719 1.00 4.13 H new ATOM 0 HB2 PHE A 492 -4.238 -2.985 -6.460 1.00 4.35 H new ATOM 0 HB3 PHE A 492 -4.025 -1.668 -5.323 1.00 4.35 H new ATOM 0 HD1 PHE A 492 -2.537 -1.852 -3.468 1.00 21.35 H new ATOM 0 HD2 PHE A 492 -3.214 -5.178 -6.033 1.00 22.20 H new ATOM 0 HE1 PHE A 492 -0.549 -2.957 -2.555 1.00 13.13 H new ATOM 0 HE2 PHE A 492 -1.240 -6.295 -5.106 1.00 42.11 H new ATOM 0 HZ PHE A 492 0.101 -5.183 -3.371 1.00 42.20 H new ATOM 852 N ILE A 493 -6.794 -1.008 -4.866 1.00 32.11 N ATOM 853 CA ILE A 493 -7.620 0.034 -5.422 1.00 44.25 C ATOM 854 C ILE A 493 -6.895 1.347 -5.228 1.00 22.11 C ATOM 855 O ILE A 493 -6.387 1.618 -4.153 1.00 74.24 O ATOM 856 CB ILE A 493 -9.010 0.114 -4.723 1.00 63.30 C ATOM 857 CG1 ILE A 493 -9.842 -1.150 -4.989 1.00 21.04 C ATOM 858 CG2 ILE A 493 -9.771 1.377 -5.120 1.00 33.20 C ATOM 859 CD1 ILE A 493 -11.242 -1.109 -4.405 1.00 72.13 C ATOM 0 H ILE A 493 -6.424 -0.787 -3.942 1.00 32.11 H new ATOM 0 HA ILE A 493 -7.795 -0.181 -6.476 1.00 44.25 H new ATOM 0 HB ILE A 493 -8.830 0.171 -3.649 1.00 63.30 H new ATOM 0 HG12 ILE A 493 -9.914 -1.304 -6.066 1.00 21.04 H new ATOM 0 HG13 ILE A 493 -9.315 -2.011 -4.579 1.00 21.04 H new ATOM 0 HG21 ILE A 493 -10.735 1.396 -4.612 1.00 33.20 H new ATOM 0 HG22 ILE A 493 -9.193 2.255 -4.834 1.00 33.20 H new ATOM 0 HG23 ILE A 493 -9.929 1.383 -6.198 1.00 33.20 H new ATOM 0 HD11 ILE A 493 -11.761 -2.039 -4.638 1.00 72.13 H new ATOM 0 HD12 ILE A 493 -11.182 -0.989 -3.323 1.00 72.13 H new ATOM 0 HD13 ILE A 493 -11.791 -0.270 -4.833 1.00 72.13 H new ATOM 871 N GLN A 494 -6.813 2.117 -6.252 1.00 62.50 N ATOM 872 CA GLN A 494 -6.175 3.405 -6.175 1.00 64.53 C ATOM 873 C GLN A 494 -7.219 4.503 -6.204 1.00 74.45 C ATOM 874 O GLN A 494 -8.050 4.586 -7.128 1.00 64.33 O ATOM 875 CB GLN A 494 -5.129 3.585 -7.268 1.00 74.34 C ATOM 876 CG GLN A 494 -4.342 4.868 -7.142 1.00 44.44 C ATOM 877 CD GLN A 494 -3.159 4.936 -8.080 1.00 43.20 C ATOM 878 OE1 GLN A 494 -3.170 4.360 -9.174 1.00 21.34 O ATOM 879 NE2 GLN A 494 -2.129 5.623 -7.665 1.00 3.02 N ATOM 0 H GLN A 494 -7.183 1.883 -7.173 1.00 62.50 H new ATOM 0 HA GLN A 494 -5.640 3.467 -5.227 1.00 64.53 H new ATOM 0 HB2 GLN A 494 -4.440 2.741 -7.243 1.00 74.34 H new ATOM 0 HB3 GLN A 494 -5.623 3.565 -8.240 1.00 74.34 H new ATOM 0 HG2 GLN A 494 -5.002 5.712 -7.339 1.00 44.44 H new ATOM 0 HG3 GLN A 494 -3.990 4.971 -6.116 1.00 44.44 H new ATOM 0 HE21 GLN A 494 -2.157 6.085 -6.756 1.00 3.02 H new ATOM 0 HE22 GLN A 494 -1.297 5.698 -8.250 1.00 3.02 H new ATOM 888 N MET A 495 -7.170 5.326 -5.204 1.00 22.14 N ATOM 889 CA MET A 495 -8.134 6.376 -5.005 1.00 14.32 C ATOM 890 C MET A 495 -7.610 7.697 -5.520 1.00 3.22 C ATOM 891 O MET A 495 -6.446 7.846 -5.877 1.00 12.13 O ATOM 892 CB MET A 495 -8.441 6.507 -3.518 1.00 33.35 C ATOM 893 CG MET A 495 -9.044 5.260 -2.899 1.00 24.10 C ATOM 894 SD MET A 495 -10.704 4.898 -3.485 1.00 10.43 S ATOM 895 CE MET A 495 -11.607 6.269 -2.773 1.00 72.11 C ATOM 0 H MET A 495 -6.447 5.291 -4.486 1.00 22.14 H new ATOM 0 HA MET A 495 -9.039 6.120 -5.556 1.00 14.32 H new ATOM 0 HB2 MET A 495 -7.521 6.754 -2.988 1.00 33.35 H new ATOM 0 HB3 MET A 495 -9.127 7.341 -3.372 1.00 33.35 H new ATOM 0 HG2 MET A 495 -8.398 4.409 -3.114 1.00 24.10 H new ATOM 0 HG3 MET A 495 -9.067 5.377 -1.816 1.00 24.10 H new ATOM 0 HE1 MET A 495 -12.674 6.135 -2.954 1.00 72.11 H new ATOM 0 HE2 MET A 495 -11.423 6.307 -1.699 1.00 72.11 H new ATOM 0 HE3 MET A 495 -11.275 7.201 -3.232 1.00 72.11 H new ATOM 905 N LYS A 496 -8.492 8.624 -5.556 1.00 13.12 N ATOM 906 CA LYS A 496 -8.278 9.977 -6.004 1.00 33.20 C ATOM 907 C LYS A 496 -7.318 10.722 -5.100 1.00 23.33 C ATOM 908 O LYS A 496 -6.380 11.351 -5.567 1.00 43.22 O ATOM 909 CB LYS A 496 -9.628 10.604 -5.934 1.00 3.12 C ATOM 910 CG LYS A 496 -9.841 11.957 -6.513 1.00 55.22 C ATOM 911 CD LYS A 496 -11.321 12.168 -6.452 1.00 33.35 C ATOM 912 CE LYS A 496 -11.790 13.468 -6.980 1.00 24.55 C ATOM 913 NZ LYS A 496 -13.257 13.514 -6.898 1.00 15.53 N ATOM 0 H LYS A 496 -9.453 8.462 -5.256 1.00 13.12 H new ATOM 0 HA LYS A 496 -7.839 10.004 -7.001 1.00 33.20 H new ATOM 0 HB2 LYS A 496 -10.328 9.926 -6.423 1.00 3.12 H new ATOM 0 HB3 LYS A 496 -9.911 10.651 -4.883 1.00 3.12 H new ATOM 0 HG2 LYS A 496 -9.309 12.719 -5.944 1.00 55.22 H new ATOM 0 HG3 LYS A 496 -9.475 12.011 -7.538 1.00 55.22 H new ATOM 0 HD2 LYS A 496 -11.810 11.369 -7.009 1.00 33.35 H new ATOM 0 HD3 LYS A 496 -11.643 12.077 -5.415 1.00 33.35 H new ATOM 0 HE2 LYS A 496 -11.355 14.287 -6.407 1.00 24.55 H new ATOM 0 HE3 LYS A 496 -11.466 13.594 -8.013 1.00 24.55 H new ATOM 0 HZ1 LYS A 496 -13.555 14.441 -6.534 1.00 15.53 H new ATOM 0 HZ2 LYS A 496 -13.662 13.367 -7.844 1.00 15.53 H new ATOM 0 HZ3 LYS A 496 -13.593 12.766 -6.257 1.00 15.53 H new ATOM 927 N SER A 497 -7.533 10.605 -3.819 1.00 45.33 N ATOM 928 CA SER A 497 -6.815 11.359 -2.871 1.00 31.44 C ATOM 929 C SER A 497 -6.283 10.415 -1.801 1.00 4.45 C ATOM 930 O SER A 497 -6.981 9.466 -1.417 1.00 23.10 O ATOM 931 CB SER A 497 -7.768 12.386 -2.262 1.00 55.14 C ATOM 932 OG SER A 497 -8.517 13.056 -3.283 1.00 23.22 O ATOM 0 H SER A 497 -8.223 9.972 -3.415 1.00 45.33 H new ATOM 0 HA SER A 497 -5.973 11.877 -3.330 1.00 31.44 H new ATOM 0 HB2 SER A 497 -8.450 11.890 -1.571 1.00 55.14 H new ATOM 0 HB3 SER A 497 -7.202 13.115 -1.683 1.00 55.14 H new ATOM 0 HG SER A 497 -8.336 14.018 -3.243 1.00 23.22 H new ATOM 938 N ALA A 498 -5.082 10.679 -1.320 1.00 13.20 N ATOM 939 CA ALA A 498 -4.423 9.838 -0.315 1.00 75.12 C ATOM 940 C ALA A 498 -5.166 9.880 1.004 1.00 3.14 C ATOM 941 O ALA A 498 -5.254 8.887 1.739 1.00 54.23 O ATOM 942 CB ALA A 498 -2.980 10.275 -0.135 1.00 54.45 C ATOM 0 H ALA A 498 -4.527 11.484 -1.611 1.00 13.20 H new ATOM 0 HA ALA A 498 -4.435 8.807 -0.668 1.00 75.12 H new ATOM 0 HB1 ALA A 498 -2.500 9.645 0.613 1.00 54.45 H new ATOM 0 HB2 ALA A 498 -2.450 10.181 -1.083 1.00 54.45 H new ATOM 0 HB3 ALA A 498 -2.953 11.314 0.194 1.00 54.45 H new ATOM 948 N ASP A 499 -5.736 11.011 1.257 1.00 72.31 N ATOM 949 CA ASP A 499 -6.512 11.277 2.454 1.00 3.02 C ATOM 950 C ASP A 499 -7.806 10.502 2.418 1.00 53.43 C ATOM 951 O ASP A 499 -8.182 9.831 3.388 1.00 64.30 O ATOM 952 CB ASP A 499 -6.769 12.774 2.559 1.00 74.24 C ATOM 953 CG ASP A 499 -7.216 13.374 1.252 1.00 3.03 C ATOM 954 OD1 ASP A 499 -8.410 13.469 1.001 1.00 61.32 O ATOM 955 OD2 ASP A 499 -6.334 13.706 0.419 1.00 61.34 O ATOM 0 H ASP A 499 -5.681 11.810 0.625 1.00 72.31 H new ATOM 0 HA ASP A 499 -5.957 10.954 3.335 1.00 3.02 H new ATOM 0 HB2 ASP A 499 -7.529 12.957 3.318 1.00 74.24 H new ATOM 0 HB3 ASP A 499 -5.859 13.273 2.892 1.00 74.24 H new ATOM 960 N ARG A 500 -8.447 10.560 1.285 1.00 62.32 N ATOM 961 CA ARG A 500 -9.681 9.828 1.042 1.00 40.21 C ATOM 962 C ARG A 500 -9.435 8.336 1.140 1.00 12.50 C ATOM 963 O ARG A 500 -10.251 7.591 1.680 1.00 22.23 O ATOM 964 CB ARG A 500 -10.278 10.169 -0.323 1.00 2.53 C ATOM 965 CG ARG A 500 -10.948 11.533 -0.407 1.00 12.42 C ATOM 966 CD ARG A 500 -11.418 11.806 -1.827 1.00 10.21 C ATOM 967 NE ARG A 500 -12.342 12.940 -1.921 1.00 61.53 N ATOM 968 CZ ARG A 500 -12.219 13.975 -2.770 1.00 12.31 C ATOM 969 NH1 ARG A 500 -11.053 14.234 -3.367 1.00 72.21 N ATOM 970 NH2 ARG A 500 -13.251 14.784 -2.972 1.00 1.15 N ATOM 0 H ARG A 500 -8.134 11.118 0.491 1.00 62.32 H new ATOM 0 HA ARG A 500 -10.398 10.127 1.807 1.00 40.21 H new ATOM 0 HB2 ARG A 500 -9.487 10.122 -1.071 1.00 2.53 H new ATOM 0 HB3 ARG A 500 -11.009 9.404 -0.585 1.00 2.53 H new ATOM 0 HG2 ARG A 500 -11.796 11.572 0.277 1.00 12.42 H new ATOM 0 HG3 ARG A 500 -10.249 12.308 -0.093 1.00 12.42 H new ATOM 0 HD2 ARG A 500 -10.551 11.999 -2.459 1.00 10.21 H new ATOM 0 HD3 ARG A 500 -11.907 10.914 -2.219 1.00 10.21 H new ATOM 0 HE ARG A 500 -13.144 12.944 -1.291 1.00 61.53 H new ATOM 0 HH11 ARG A 500 -10.242 13.643 -3.181 1.00 72.21 H new ATOM 0 HH12 ARG A 500 -10.973 15.022 -4.009 1.00 72.21 H new ATOM 0 HH21 ARG A 500 -14.132 14.619 -2.484 1.00 1.15 H new ATOM 0 HH22 ARG A 500 -13.164 15.571 -3.615 1.00 1.15 H new ATOM 984 N ALA A 501 -8.285 7.918 0.644 1.00 22.53 N ATOM 985 CA ALA A 501 -7.892 6.528 0.670 1.00 2.22 C ATOM 986 C ALA A 501 -7.691 6.041 2.093 1.00 41.23 C ATOM 987 O ALA A 501 -8.053 4.918 2.421 1.00 22.11 O ATOM 988 CB ALA A 501 -6.630 6.313 -0.147 1.00 13.33 C ATOM 0 H ALA A 501 -7.599 8.537 0.212 1.00 22.53 H new ATOM 0 HA ALA A 501 -8.698 5.945 0.225 1.00 2.22 H new ATOM 0 HB1 ALA A 501 -6.351 5.260 -0.115 1.00 13.33 H new ATOM 0 HB2 ALA A 501 -6.811 6.609 -1.180 1.00 13.33 H new ATOM 0 HB3 ALA A 501 -5.822 6.916 0.267 1.00 13.33 H new ATOM 994 N PHE A 502 -7.138 6.894 2.938 1.00 32.34 N ATOM 995 CA PHE A 502 -6.882 6.525 4.312 1.00 41.01 C ATOM 996 C PHE A 502 -8.197 6.339 5.056 1.00 61.22 C ATOM 997 O PHE A 502 -8.366 5.375 5.805 1.00 43.02 O ATOM 998 CB PHE A 502 -5.993 7.568 5.007 1.00 55.32 C ATOM 999 CG PHE A 502 -5.544 7.169 6.391 1.00 13.25 C ATOM 1000 CD1 PHE A 502 -4.404 6.403 6.566 1.00 3.23 C ATOM 1001 CD2 PHE A 502 -6.257 7.561 7.511 1.00 31.21 C ATOM 1002 CE1 PHE A 502 -3.983 6.038 7.829 1.00 53.22 C ATOM 1003 CE2 PHE A 502 -5.845 7.198 8.778 1.00 24.04 C ATOM 1004 CZ PHE A 502 -4.706 6.436 8.937 1.00 34.14 C ATOM 0 H PHE A 502 -6.859 7.844 2.694 1.00 32.34 H new ATOM 0 HA PHE A 502 -6.343 5.578 4.323 1.00 41.01 H new ATOM 0 HB2 PHE A 502 -5.113 7.750 4.389 1.00 55.32 H new ATOM 0 HB3 PHE A 502 -6.538 8.510 5.071 1.00 55.32 H new ATOM 0 HD1 PHE A 502 -3.837 6.087 5.703 1.00 3.23 H new ATOM 0 HD2 PHE A 502 -7.148 8.159 7.392 1.00 31.21 H new ATOM 0 HE1 PHE A 502 -3.090 5.443 7.951 1.00 53.22 H new ATOM 0 HE2 PHE A 502 -6.413 7.510 9.642 1.00 24.04 H new ATOM 0 HZ PHE A 502 -4.380 6.151 9.926 1.00 34.14 H new ATOM 1014 N MET A 503 -9.144 7.228 4.804 1.00 11.30 N ATOM 1015 CA MET A 503 -10.439 7.143 5.457 1.00 62.20 C ATOM 1016 C MET A 503 -11.195 5.912 4.970 1.00 10.31 C ATOM 1017 O MET A 503 -11.836 5.213 5.753 1.00 1.14 O ATOM 1018 CB MET A 503 -11.274 8.411 5.243 1.00 23.12 C ATOM 1019 CG MET A 503 -12.637 8.360 5.938 1.00 41.45 C ATOM 1020 SD MET A 503 -13.628 9.853 5.707 1.00 22.24 S ATOM 1021 CE MET A 503 -12.605 11.075 6.537 1.00 5.23 C ATOM 0 H MET A 503 -9.042 8.010 4.158 1.00 11.30 H new ATOM 0 HA MET A 503 -10.263 7.051 6.529 1.00 62.20 H new ATOM 0 HB2 MET A 503 -10.717 9.272 5.613 1.00 23.12 H new ATOM 0 HB3 MET A 503 -11.424 8.563 4.174 1.00 23.12 H new ATOM 0 HG2 MET A 503 -13.195 7.503 5.561 1.00 41.45 H new ATOM 0 HG3 MET A 503 -12.485 8.197 7.005 1.00 41.45 H new ATOM 0 HE1 MET A 503 -13.199 11.964 6.747 1.00 5.23 H new ATOM 0 HE2 MET A 503 -12.229 10.660 7.472 1.00 5.23 H new ATOM 0 HE3 MET A 503 -11.765 11.343 5.896 1.00 5.23 H new ATOM 1031 N ALA A 504 -11.076 5.630 3.678 1.00 4.13 N ATOM 1032 CA ALA A 504 -11.703 4.462 3.091 1.00 53.42 C ATOM 1033 C ALA A 504 -11.098 3.187 3.671 1.00 64.43 C ATOM 1034 O ALA A 504 -11.807 2.206 3.909 1.00 5.13 O ATOM 1035 CB ALA A 504 -11.567 4.482 1.575 1.00 4.43 C ATOM 0 H ALA A 504 -10.547 6.200 3.018 1.00 4.13 H new ATOM 0 HA ALA A 504 -12.765 4.482 3.335 1.00 53.42 H new ATOM 0 HB1 ALA A 504 -12.044 3.597 1.155 1.00 4.43 H new ATOM 0 HB2 ALA A 504 -12.048 5.376 1.178 1.00 4.43 H new ATOM 0 HB3 ALA A 504 -10.511 4.488 1.304 1.00 4.43 H new ATOM 1041 N ALA A 505 -9.793 3.220 3.912 1.00 54.34 N ATOM 1042 CA ALA A 505 -9.086 2.103 4.506 1.00 13.31 C ATOM 1043 C ALA A 505 -9.512 1.897 5.938 1.00 35.04 C ATOM 1044 O ALA A 505 -9.683 0.776 6.371 1.00 53.20 O ATOM 1045 CB ALA A 505 -7.579 2.293 4.413 1.00 33.20 C ATOM 0 H ALA A 505 -9.200 4.022 3.700 1.00 54.34 H new ATOM 0 HA ALA A 505 -9.346 1.207 3.941 1.00 13.31 H new ATOM 0 HB1 ALA A 505 -7.076 1.439 4.867 1.00 33.20 H new ATOM 0 HB2 ALA A 505 -7.286 2.372 3.366 1.00 33.20 H new ATOM 0 HB3 ALA A 505 -7.294 3.204 4.939 1.00 33.20 H new ATOM 1051 N GLN A 506 -9.699 2.985 6.661 1.00 13.45 N ATOM 1052 CA GLN A 506 -10.146 2.919 8.038 1.00 74.12 C ATOM 1053 C GLN A 506 -11.559 2.337 8.094 1.00 4.44 C ATOM 1054 O GLN A 506 -11.852 1.476 8.929 1.00 32.42 O ATOM 1055 CB GLN A 506 -10.022 4.317 8.713 1.00 33.33 C ATOM 1056 CG GLN A 506 -10.414 4.383 10.199 1.00 33.42 C ATOM 1057 CD GLN A 506 -11.856 4.808 10.448 1.00 5.40 C ATOM 1058 OE1 GLN A 506 -12.740 4.588 9.634 1.00 1.12 O ATOM 1059 NE2 GLN A 506 -12.101 5.398 11.586 1.00 73.13 N ATOM 0 H GLN A 506 -9.547 3.932 6.313 1.00 13.45 H new ATOM 0 HA GLN A 506 -9.506 2.248 8.611 1.00 74.12 H new ATOM 0 HB2 GLN A 506 -8.991 4.657 8.614 1.00 33.33 H new ATOM 0 HB3 GLN A 506 -10.644 5.022 8.161 1.00 33.33 H new ATOM 0 HG2 GLN A 506 -10.253 3.403 10.649 1.00 33.42 H new ATOM 0 HG3 GLN A 506 -9.749 5.081 10.708 1.00 33.42 H new ATOM 0 HE21 GLN A 506 -11.342 5.568 12.246 1.00 73.13 H new ATOM 0 HE22 GLN A 506 -13.051 5.689 11.815 1.00 73.13 H new ATOM 1068 N LYS A 507 -12.404 2.774 7.170 1.00 1.14 N ATOM 1069 CA LYS A 507 -13.775 2.292 7.063 1.00 64.20 C ATOM 1070 C LYS A 507 -13.810 0.785 6.763 1.00 3.55 C ATOM 1071 O LYS A 507 -14.562 0.020 7.384 1.00 21.14 O ATOM 1072 CB LYS A 507 -14.514 3.042 5.935 1.00 44.33 C ATOM 1073 CG LYS A 507 -15.941 2.558 5.705 1.00 43.15 C ATOM 1074 CD LYS A 507 -16.564 3.166 4.457 1.00 2.52 C ATOM 1075 CE LYS A 507 -17.969 2.624 4.243 1.00 65.51 C ATOM 1076 NZ LYS A 507 -18.584 3.112 2.991 1.00 2.53 N ATOM 0 H LYS A 507 -12.157 3.475 6.471 1.00 1.14 H new ATOM 0 HA LYS A 507 -14.267 2.475 8.018 1.00 64.20 H new ATOM 0 HB2 LYS A 507 -14.535 4.106 6.172 1.00 44.33 H new ATOM 0 HB3 LYS A 507 -13.950 2.933 5.009 1.00 44.33 H new ATOM 0 HG2 LYS A 507 -15.944 1.472 5.617 1.00 43.15 H new ATOM 0 HG3 LYS A 507 -16.552 2.809 6.572 1.00 43.15 H new ATOM 0 HD2 LYS A 507 -16.597 4.251 4.552 1.00 2.52 H new ATOM 0 HD3 LYS A 507 -15.945 2.941 3.588 1.00 2.52 H new ATOM 0 HE2 LYS A 507 -17.935 1.535 4.226 1.00 65.51 H new ATOM 0 HE3 LYS A 507 -18.597 2.910 5.087 1.00 65.51 H new ATOM 0 HZ1 LYS A 507 -19.416 2.531 2.763 1.00 2.53 H new ATOM 0 HZ2 LYS A 507 -18.876 4.103 3.111 1.00 2.53 H new ATOM 0 HZ3 LYS A 507 -17.893 3.046 2.216 1.00 2.53 H new ATOM 1090 N CYS A 508 -12.988 0.367 5.833 1.00 24.21 N ATOM 1091 CA CYS A 508 -13.009 -0.986 5.358 1.00 4.43 C ATOM 1092 C CYS A 508 -11.992 -1.894 6.087 1.00 12.20 C ATOM 1093 O CYS A 508 -11.775 -3.042 5.706 1.00 61.12 O ATOM 1094 CB CYS A 508 -12.778 -0.990 3.859 1.00 1.11 C ATOM 1095 SG CYS A 508 -13.835 0.165 2.953 1.00 51.23 S ATOM 0 H CYS A 508 -12.287 0.958 5.387 1.00 24.21 H new ATOM 0 HA CYS A 508 -13.990 -1.406 5.579 1.00 4.43 H new ATOM 0 HB2 CYS A 508 -11.735 -0.744 3.661 1.00 1.11 H new ATOM 0 HB3 CYS A 508 -12.946 -1.997 3.478 1.00 1.11 H new ATOM 0 HG CYS A 508 -13.350 1.367 3.053 1.00 51.23 H new ATOM 1101 N HIS A 509 -11.357 -1.387 7.101 1.00 60.34 N ATOM 1102 CA HIS A 509 -10.474 -2.207 7.891 1.00 34.12 C ATOM 1103 C HIS A 509 -11.318 -3.106 8.802 1.00 2.42 C ATOM 1104 O HIS A 509 -11.982 -2.608 9.721 1.00 54.31 O ATOM 1105 CB HIS A 509 -9.517 -1.341 8.715 1.00 43.41 C ATOM 1106 CG HIS A 509 -8.357 -2.094 9.290 1.00 21.33 C ATOM 1107 ND1 HIS A 509 -7.142 -2.203 8.658 1.00 71.11 N ATOM 1108 CD2 HIS A 509 -8.233 -2.771 10.456 1.00 35.11 C ATOM 1109 CE1 HIS A 509 -6.332 -2.914 9.432 1.00 2.23 C ATOM 1110 NE2 HIS A 509 -6.945 -3.291 10.543 1.00 45.52 N ATOM 0 H HIS A 509 -11.430 -0.416 7.403 1.00 60.34 H new ATOM 0 HA HIS A 509 -9.866 -2.826 7.231 1.00 34.12 H new ATOM 0 HB2 HIS A 509 -9.138 -0.536 8.085 1.00 43.41 H new ATOM 0 HB3 HIS A 509 -10.074 -0.875 9.528 1.00 43.41 H new ATOM 0 HD1 HIS A 509 -6.903 -1.805 7.749 1.00 71.11 H new ATOM 0 HD2 HIS A 509 -9.008 -2.889 11.199 1.00 35.11 H new ATOM 0 HE1 HIS A 509 -5.308 -3.154 9.188 1.00 2.23 H new ATOM 1118 N LYS A 510 -11.347 -4.412 8.483 1.00 40.34 N ATOM 1119 CA LYS A 510 -12.111 -5.433 9.229 1.00 64.35 C ATOM 1120 C LYS A 510 -13.605 -5.317 8.987 1.00 33.51 C ATOM 1121 O LYS A 510 -14.410 -5.912 9.709 1.00 1.54 O ATOM 1122 CB LYS A 510 -11.794 -5.444 10.737 1.00 60.00 C ATOM 1123 CG LYS A 510 -10.534 -6.204 11.117 1.00 4.44 C ATOM 1124 CD LYS A 510 -10.304 -6.136 12.618 1.00 34.12 C ATOM 1125 CE LYS A 510 -9.375 -7.238 13.110 1.00 1.45 C ATOM 1126 NZ LYS A 510 -8.027 -7.216 12.497 1.00 43.14 N ATOM 0 H LYS A 510 -10.834 -4.795 7.689 1.00 40.34 H new ATOM 0 HA LYS A 510 -11.781 -6.393 8.832 1.00 64.35 H new ATOM 0 HB2 LYS A 510 -11.698 -4.414 11.082 1.00 60.00 H new ATOM 0 HB3 LYS A 510 -12.639 -5.881 11.269 1.00 60.00 H new ATOM 0 HG2 LYS A 510 -10.621 -7.244 10.803 1.00 4.44 H new ATOM 0 HG3 LYS A 510 -9.676 -5.783 10.592 1.00 4.44 H new ATOM 0 HD2 LYS A 510 -9.881 -5.165 12.875 1.00 34.12 H new ATOM 0 HD3 LYS A 510 -11.261 -6.213 13.134 1.00 34.12 H new ATOM 0 HE2 LYS A 510 -9.271 -7.154 14.192 1.00 1.45 H new ATOM 0 HE3 LYS A 510 -9.838 -8.204 12.909 1.00 1.45 H new ATOM 0 HZ1 LYS A 510 -7.480 -8.035 12.832 1.00 43.14 H new ATOM 0 HZ2 LYS A 510 -8.116 -7.259 11.462 1.00 43.14 H new ATOM 0 HZ3 LYS A 510 -7.537 -6.339 12.766 1.00 43.14 H new ATOM 1140 N LYS A 511 -13.964 -4.615 7.932 1.00 60.54 N ATOM 1141 CA LYS A 511 -15.339 -4.396 7.596 1.00 52.15 C ATOM 1142 C LYS A 511 -15.897 -5.619 6.889 1.00 55.34 C ATOM 1143 O LYS A 511 -15.228 -6.240 6.059 1.00 43.54 O ATOM 1144 CB LYS A 511 -15.504 -3.120 6.743 1.00 4.52 C ATOM 1145 CG LYS A 511 -16.933 -2.826 6.242 1.00 72.21 C ATOM 1146 CD LYS A 511 -17.978 -2.600 7.359 1.00 52.55 C ATOM 1147 CE LYS A 511 -17.915 -1.209 8.026 1.00 73.34 C ATOM 1148 NZ LYS A 511 -16.697 -0.972 8.842 1.00 41.11 N ATOM 0 H LYS A 511 -13.302 -4.183 7.287 1.00 60.54 H new ATOM 0 HA LYS A 511 -15.908 -4.242 8.513 1.00 52.15 H new ATOM 0 HB2 LYS A 511 -15.163 -2.267 7.330 1.00 4.52 H new ATOM 0 HB3 LYS A 511 -14.845 -3.196 5.878 1.00 4.52 H new ATOM 0 HG2 LYS A 511 -16.905 -1.941 5.606 1.00 72.21 H new ATOM 0 HG3 LYS A 511 -17.262 -3.657 5.618 1.00 72.21 H new ATOM 0 HD2 LYS A 511 -18.974 -2.743 6.941 1.00 52.55 H new ATOM 0 HD3 LYS A 511 -17.842 -3.363 8.126 1.00 52.55 H new ATOM 0 HE2 LYS A 511 -17.972 -0.445 7.250 1.00 73.34 H new ATOM 0 HE3 LYS A 511 -18.792 -1.084 8.661 1.00 73.34 H new ATOM 0 HZ1 LYS A 511 -16.933 -0.357 9.647 1.00 41.11 H new ATOM 0 HZ2 LYS A 511 -16.333 -1.880 9.195 1.00 41.11 H new ATOM 0 HZ3 LYS A 511 -15.971 -0.512 8.256 1.00 41.11 H new ATOM 1162 N ASN A 512 -17.090 -5.963 7.250 1.00 11.13 N ATOM 1163 CA ASN A 512 -17.776 -7.100 6.698 1.00 42.23 C ATOM 1164 C ASN A 512 -18.304 -6.823 5.307 1.00 12.10 C ATOM 1165 O ASN A 512 -18.861 -5.756 5.022 1.00 54.21 O ATOM 1166 CB ASN A 512 -18.913 -7.552 7.627 1.00 12.13 C ATOM 1167 CG ASN A 512 -19.875 -6.429 7.982 1.00 63.34 C ATOM 1168 OD1 ASN A 512 -19.645 -5.696 8.944 1.00 3.21 O ATOM 1169 ND2 ASN A 512 -20.949 -6.305 7.263 1.00 61.31 N ATOM 0 H ASN A 512 -17.631 -5.456 7.950 1.00 11.13 H new ATOM 0 HA ASN A 512 -17.049 -7.908 6.615 1.00 42.23 H new ATOM 0 HB2 ASN A 512 -19.467 -8.359 7.147 1.00 12.13 H new ATOM 0 HB3 ASN A 512 -18.485 -7.959 8.543 1.00 12.13 H new ATOM 0 HD21 ASN A 512 -21.633 -5.583 7.489 1.00 61.31 H new ATOM 0 HD22 ASN A 512 -21.108 -6.929 6.472 1.00 61.31 H new ATOM 1176 N MET A 513 -18.110 -7.772 4.455 1.00 14.00 N ATOM 1177 CA MET A 513 -18.605 -7.739 3.127 1.00 13.02 C ATOM 1178 C MET A 513 -19.302 -9.051 2.926 1.00 21.32 C ATOM 1179 O MET A 513 -18.647 -10.093 2.817 1.00 4.43 O ATOM 1180 CB MET A 513 -17.463 -7.548 2.117 1.00 51.43 C ATOM 1181 CG MET A 513 -17.926 -7.357 0.678 1.00 14.35 C ATOM 1182 SD MET A 513 -16.557 -7.033 -0.453 1.00 73.25 S ATOM 1183 CE MET A 513 -17.441 -6.813 -1.995 1.00 21.25 C ATOM 0 H MET A 513 -17.585 -8.618 4.674 1.00 14.00 H new ATOM 0 HA MET A 513 -19.284 -6.901 2.970 1.00 13.02 H new ATOM 0 HB2 MET A 513 -16.871 -6.682 2.414 1.00 51.43 H new ATOM 0 HB3 MET A 513 -16.804 -8.415 2.163 1.00 51.43 H new ATOM 0 HG2 MET A 513 -18.460 -8.249 0.350 1.00 14.35 H new ATOM 0 HG3 MET A 513 -18.633 -6.528 0.634 1.00 14.35 H new ATOM 0 HE1 MET A 513 -16.731 -6.605 -2.795 1.00 21.25 H new ATOM 0 HE2 MET A 513 -17.995 -7.722 -2.229 1.00 21.25 H new ATOM 0 HE3 MET A 513 -18.136 -5.978 -1.900 1.00 21.25 H new ATOM 1193 N LYS A 514 -20.631 -9.006 2.976 1.00 4.20 N ATOM 1194 CA LYS A 514 -21.509 -10.177 2.901 1.00 11.32 C ATOM 1195 C LYS A 514 -21.420 -10.996 4.174 1.00 41.35 C ATOM 1196 O LYS A 514 -22.287 -10.906 5.052 1.00 43.22 O ATOM 1197 CB LYS A 514 -21.242 -11.031 1.653 1.00 43.14 C ATOM 1198 CG LYS A 514 -21.380 -10.253 0.382 1.00 63.21 C ATOM 1199 CD LYS A 514 -21.203 -11.102 -0.848 1.00 14.01 C ATOM 1200 CE LYS A 514 -21.280 -10.226 -2.075 1.00 60.22 C ATOM 1201 NZ LYS A 514 -22.536 -9.436 -2.106 1.00 63.03 N ATOM 0 H LYS A 514 -21.144 -8.130 3.073 1.00 4.20 H new ATOM 0 HA LYS A 514 -22.531 -9.812 2.805 1.00 11.32 H new ATOM 0 HB2 LYS A 514 -20.237 -11.449 1.712 1.00 43.14 H new ATOM 0 HB3 LYS A 514 -21.936 -11.871 1.637 1.00 43.14 H new ATOM 0 HG2 LYS A 514 -22.363 -9.784 0.355 1.00 63.21 H new ATOM 0 HG3 LYS A 514 -20.643 -9.450 0.372 1.00 63.21 H new ATOM 0 HD2 LYS A 514 -20.242 -11.616 -0.814 1.00 14.01 H new ATOM 0 HD3 LYS A 514 -21.975 -11.871 -0.887 1.00 14.01 H new ATOM 0 HE2 LYS A 514 -20.425 -9.551 -2.095 1.00 60.22 H new ATOM 0 HE3 LYS A 514 -21.217 -10.846 -2.969 1.00 60.22 H new ATOM 0 HZ1 LYS A 514 -22.670 -9.034 -3.056 1.00 63.03 H new ATOM 0 HZ2 LYS A 514 -23.340 -10.054 -1.875 1.00 63.03 H new ATOM 0 HZ3 LYS A 514 -22.479 -8.666 -1.409 1.00 63.03 H new ATOM 1215 N ASP A 515 -20.387 -11.764 4.278 1.00 64.01 N ATOM 1216 CA ASP A 515 -20.137 -12.553 5.463 1.00 43.34 C ATOM 1217 C ASP A 515 -18.652 -12.538 5.857 1.00 5.43 C ATOM 1218 O ASP A 515 -18.280 -12.840 7.003 1.00 33.01 O ATOM 1219 CB ASP A 515 -20.677 -13.984 5.293 1.00 40.14 C ATOM 1220 CG ASP A 515 -20.454 -14.857 6.504 1.00 22.31 C ATOM 1221 OD1 ASP A 515 -21.074 -14.601 7.566 1.00 24.12 O ATOM 1222 OD2 ASP A 515 -19.672 -15.834 6.416 1.00 12.14 O ATOM 0 H ASP A 515 -19.683 -11.870 3.547 1.00 64.01 H new ATOM 0 HA ASP A 515 -20.680 -12.094 6.289 1.00 43.34 H new ATOM 0 HB2 ASP A 515 -21.745 -13.938 5.079 1.00 40.14 H new ATOM 0 HB3 ASP A 515 -20.198 -14.445 4.429 1.00 40.14 H new ATOM 1227 N ARG A 516 -17.826 -12.105 4.954 1.00 23.11 N ATOM 1228 CA ARG A 516 -16.394 -12.125 5.137 1.00 12.54 C ATOM 1229 C ARG A 516 -15.984 -10.800 5.722 1.00 52.30 C ATOM 1230 O ARG A 516 -16.703 -9.820 5.583 1.00 51.12 O ATOM 1231 CB ARG A 516 -15.709 -12.280 3.771 1.00 64.53 C ATOM 1232 CG ARG A 516 -14.238 -12.685 3.805 1.00 22.14 C ATOM 1233 CD ARG A 516 -14.068 -14.195 3.635 1.00 61.23 C ATOM 1234 NE ARG A 516 -14.832 -14.970 4.616 1.00 43.54 N ATOM 1235 CZ ARG A 516 -15.134 -16.261 4.513 1.00 42.15 C ATOM 1236 NH1 ARG A 516 -14.649 -16.984 3.509 1.00 4.32 N ATOM 1237 NH2 ARG A 516 -15.881 -16.843 5.447 1.00 53.24 N ATOM 0 H ARG A 516 -18.124 -11.722 4.057 1.00 23.11 H new ATOM 0 HA ARG A 516 -16.109 -12.950 5.790 1.00 12.54 H new ATOM 0 HB2 ARG A 516 -16.257 -13.024 3.194 1.00 64.53 H new ATOM 0 HB3 ARG A 516 -15.793 -11.335 3.235 1.00 64.53 H new ATOM 0 HG2 ARG A 516 -13.698 -12.166 3.013 1.00 22.14 H new ATOM 0 HG3 ARG A 516 -13.795 -12.372 4.751 1.00 22.14 H new ATOM 0 HD2 ARG A 516 -14.382 -14.480 2.631 1.00 61.23 H new ATOM 0 HD3 ARG A 516 -13.012 -14.449 3.723 1.00 61.23 H new ATOM 0 HE ARG A 516 -15.160 -14.478 5.447 1.00 43.54 H new ATOM 0 HH11 ARG A 516 -14.043 -16.549 2.814 1.00 4.32 H new ATOM 0 HH12 ARG A 516 -14.883 -17.974 3.434 1.00 4.32 H new ATOM 0 HH21 ARG A 516 -16.221 -16.299 6.240 1.00 53.24 H new ATOM 0 HH22 ARG A 516 -16.114 -17.833 5.370 1.00 53.24 H new ATOM 1251 N TYR A 517 -14.878 -10.761 6.381 1.00 32.25 N ATOM 1252 CA TYR A 517 -14.357 -9.524 6.832 1.00 40.01 C ATOM 1253 C TYR A 517 -13.132 -9.187 6.045 1.00 62.41 C ATOM 1254 O TYR A 517 -12.146 -9.949 6.017 1.00 61.31 O ATOM 1255 CB TYR A 517 -14.132 -9.455 8.349 1.00 40.42 C ATOM 1256 CG TYR A 517 -13.253 -10.522 8.968 1.00 71.32 C ATOM 1257 CD1 TYR A 517 -13.789 -11.720 9.385 1.00 11.52 C ATOM 1258 CD2 TYR A 517 -11.888 -10.312 9.158 1.00 34.42 C ATOM 1259 CE1 TYR A 517 -13.006 -12.687 9.965 1.00 24.52 C ATOM 1260 CE2 TYR A 517 -11.092 -11.281 9.739 1.00 20.51 C ATOM 1261 CZ TYR A 517 -11.658 -12.467 10.140 1.00 1.24 C ATOM 1262 OH TYR A 517 -10.870 -13.448 10.724 1.00 73.02 O ATOM 0 H TYR A 517 -14.316 -11.578 6.619 1.00 32.25 H new ATOM 0 HA TYR A 517 -15.114 -8.761 6.651 1.00 40.01 H new ATOM 0 HB2 TYR A 517 -13.698 -8.483 8.582 1.00 40.42 H new ATOM 0 HB3 TYR A 517 -15.106 -9.495 8.837 1.00 40.42 H new ATOM 0 HD1 TYR A 517 -14.845 -11.902 9.253 1.00 11.52 H new ATOM 0 HD2 TYR A 517 -11.446 -9.377 8.846 1.00 34.42 H new ATOM 0 HE1 TYR A 517 -13.447 -13.620 10.284 1.00 24.52 H new ATOM 0 HE2 TYR A 517 -10.035 -11.108 9.877 1.00 20.51 H new ATOM 0 HH TYR A 517 -9.942 -13.136 10.773 1.00 73.02 H new ATOM 1272 N VAL A 518 -13.211 -8.097 5.371 1.00 50.42 N ATOM 1273 CA VAL A 518 -12.166 -7.660 4.525 1.00 73.32 C ATOM 1274 C VAL A 518 -11.273 -6.753 5.326 1.00 51.04 C ATOM 1275 O VAL A 518 -11.754 -5.877 6.043 1.00 63.12 O ATOM 1276 CB VAL A 518 -12.736 -6.877 3.318 1.00 45.22 C ATOM 1277 CG1 VAL A 518 -11.631 -6.459 2.357 1.00 71.50 C ATOM 1278 CG2 VAL A 518 -13.798 -7.688 2.590 1.00 43.41 C ATOM 0 H VAL A 518 -14.019 -7.474 5.394 1.00 50.42 H new ATOM 0 HA VAL A 518 -11.613 -8.520 4.147 1.00 73.32 H new ATOM 0 HB VAL A 518 -13.204 -5.973 3.708 1.00 45.22 H new ATOM 0 HG11 VAL A 518 -12.064 -5.911 1.520 1.00 71.50 H new ATOM 0 HG12 VAL A 518 -10.918 -5.821 2.878 1.00 71.50 H new ATOM 0 HG13 VAL A 518 -11.119 -7.346 1.984 1.00 71.50 H new ATOM 0 HG21 VAL A 518 -14.181 -7.113 1.747 1.00 43.41 H new ATOM 0 HG22 VAL A 518 -13.360 -8.618 2.226 1.00 43.41 H new ATOM 0 HG23 VAL A 518 -14.615 -7.915 3.275 1.00 43.41 H new ATOM 1288 N GLU A 519 -10.008 -6.982 5.269 1.00 42.14 N ATOM 1289 CA GLU A 519 -9.101 -6.120 5.925 1.00 5.14 C ATOM 1290 C GLU A 519 -8.426 -5.266 4.912 1.00 52.52 C ATOM 1291 O GLU A 519 -7.708 -5.750 4.031 1.00 44.24 O ATOM 1292 CB GLU A 519 -8.117 -6.863 6.789 1.00 11.21 C ATOM 1293 CG GLU A 519 -8.773 -7.637 7.909 1.00 2.33 C ATOM 1294 CD GLU A 519 -7.771 -8.161 8.873 1.00 72.22 C ATOM 1295 OE1 GLU A 519 -7.608 -7.562 9.947 1.00 2.12 O ATOM 1296 OE2 GLU A 519 -7.099 -9.155 8.571 1.00 63.54 O ATOM 0 H GLU A 519 -9.581 -7.763 4.772 1.00 42.14 H new ATOM 0 HA GLU A 519 -9.660 -5.484 6.612 1.00 5.14 H new ATOM 0 HB2 GLU A 519 -7.545 -7.551 6.167 1.00 11.21 H new ATOM 0 HB3 GLU A 519 -7.408 -6.153 7.214 1.00 11.21 H new ATOM 0 HG2 GLU A 519 -9.479 -6.992 8.432 1.00 2.33 H new ATOM 0 HG3 GLU A 519 -9.346 -8.466 7.492 1.00 2.33 H new ATOM 1303 N VAL A 520 -8.712 -4.012 4.991 1.00 34.20 N ATOM 1304 CA VAL A 520 -8.196 -3.059 4.070 1.00 35.34 C ATOM 1305 C VAL A 520 -7.063 -2.233 4.701 1.00 60.41 C ATOM 1306 O VAL A 520 -7.185 -1.729 5.827 1.00 50.43 O ATOM 1307 CB VAL A 520 -9.370 -2.188 3.590 1.00 1.54 C ATOM 1308 CG1 VAL A 520 -8.923 -1.042 2.767 1.00 71.41 C ATOM 1309 CG2 VAL A 520 -10.335 -3.045 2.794 1.00 14.22 C ATOM 0 H VAL A 520 -9.319 -3.614 5.707 1.00 34.20 H new ATOM 0 HA VAL A 520 -7.748 -3.558 3.211 1.00 35.34 H new ATOM 0 HB VAL A 520 -9.862 -1.778 4.472 1.00 1.54 H new ATOM 0 HG11 VAL A 520 -9.789 -0.459 2.454 1.00 71.41 H new ATOM 0 HG12 VAL A 520 -8.255 -0.412 3.353 1.00 71.41 H new ATOM 0 HG13 VAL A 520 -8.396 -1.410 1.887 1.00 71.41 H new ATOM 0 HG21 VAL A 520 -11.169 -2.432 2.452 1.00 14.22 H new ATOM 0 HG22 VAL A 520 -9.819 -3.470 1.933 1.00 14.22 H new ATOM 0 HG23 VAL A 520 -10.712 -3.850 3.425 1.00 14.22 H new ATOM 1319 N PHE A 521 -5.949 -2.156 3.982 1.00 11.52 N ATOM 1320 CA PHE A 521 -4.733 -1.483 4.435 1.00 30.43 C ATOM 1321 C PHE A 521 -4.289 -0.488 3.371 1.00 24.43 C ATOM 1322 O PHE A 521 -4.393 -0.777 2.196 1.00 51.03 O ATOM 1323 CB PHE A 521 -3.604 -2.516 4.610 1.00 43.35 C ATOM 1324 CG PHE A 521 -3.902 -3.652 5.557 1.00 73.43 C ATOM 1325 CD1 PHE A 521 -3.547 -3.579 6.893 1.00 22.00 C ATOM 1326 CD2 PHE A 521 -4.530 -4.800 5.100 1.00 72.05 C ATOM 1327 CE1 PHE A 521 -3.817 -4.629 7.751 1.00 21.11 C ATOM 1328 CE2 PHE A 521 -4.801 -5.844 5.952 1.00 11.10 C ATOM 1329 CZ PHE A 521 -4.444 -5.759 7.281 1.00 25.32 C ATOM 0 H PHE A 521 -5.862 -2.566 3.052 1.00 11.52 H new ATOM 0 HA PHE A 521 -4.936 -0.979 5.380 1.00 30.43 H new ATOM 0 HB2 PHE A 521 -3.364 -2.935 3.633 1.00 43.35 H new ATOM 0 HB3 PHE A 521 -2.712 -1.997 4.962 1.00 43.35 H new ATOM 0 HD1 PHE A 521 -3.055 -2.694 7.268 1.00 22.00 H new ATOM 0 HD2 PHE A 521 -4.810 -4.875 4.060 1.00 72.05 H new ATOM 0 HE1 PHE A 521 -3.535 -4.562 8.791 1.00 21.11 H new ATOM 0 HE2 PHE A 521 -5.293 -6.731 5.581 1.00 11.10 H new ATOM 0 HZ PHE A 521 -4.656 -6.578 7.952 1.00 25.32 H new ATOM 1339 N GLN A 522 -3.795 0.659 3.770 1.00 2.45 N ATOM 1340 CA GLN A 522 -3.313 1.645 2.815 1.00 43.45 C ATOM 1341 C GLN A 522 -1.862 1.356 2.389 1.00 33.12 C ATOM 1342 O GLN A 522 -1.086 0.767 3.151 1.00 11.33 O ATOM 1343 CB GLN A 522 -3.470 3.066 3.374 1.00 32.53 C ATOM 1344 CG GLN A 522 -2.837 4.139 2.500 1.00 62.14 C ATOM 1345 CD GLN A 522 -3.215 5.523 2.881 1.00 11.42 C ATOM 1346 OE1 GLN A 522 -2.589 6.146 3.724 1.00 73.22 O ATOM 1347 NE2 GLN A 522 -4.203 6.032 2.227 1.00 60.22 N ATOM 0 H GLN A 522 -3.713 0.939 4.747 1.00 2.45 H new ATOM 0 HA GLN A 522 -3.927 1.572 1.917 1.00 43.45 H new ATOM 0 HB2 GLN A 522 -4.531 3.285 3.493 1.00 32.53 H new ATOM 0 HB3 GLN A 522 -3.023 3.108 4.367 1.00 32.53 H new ATOM 0 HG2 GLN A 522 -1.752 4.042 2.550 1.00 62.14 H new ATOM 0 HG3 GLN A 522 -3.125 3.966 1.463 1.00 62.14 H new ATOM 0 HE21 GLN A 522 -4.696 5.472 1.531 1.00 60.22 H new ATOM 0 HE22 GLN A 522 -4.491 6.994 2.405 1.00 60.22 H new ATOM 1356 N CYS A 523 -1.520 1.773 1.180 1.00 12.35 N ATOM 1357 CA CYS A 523 -0.218 1.568 0.606 1.00 3.32 C ATOM 1358 C CYS A 523 0.051 2.628 -0.447 1.00 62.53 C ATOM 1359 O CYS A 523 -0.835 3.438 -0.792 1.00 42.55 O ATOM 1360 CB CYS A 523 -0.112 0.164 0.004 1.00 45.42 C ATOM 1361 SG CYS A 523 -1.500 -0.287 -1.067 1.00 54.11 S ATOM 0 H CYS A 523 -2.161 2.274 0.564 1.00 12.35 H new ATOM 0 HA CYS A 523 0.534 1.655 1.390 1.00 3.32 H new ATOM 0 HB2 CYS A 523 0.813 0.095 -0.569 1.00 45.42 H new ATOM 0 HB3 CYS A 523 -0.041 -0.562 0.813 1.00 45.42 H new ATOM 0 HG CYS A 523 -1.149 -1.270 -1.842 1.00 54.11 H new ATOM 1367 N SER A 524 1.236 2.638 -0.941 1.00 55.11 N ATOM 1368 CA SER A 524 1.619 3.600 -1.926 1.00 30.52 C ATOM 1369 C SER A 524 1.640 3.019 -3.343 1.00 20.52 C ATOM 1370 O SER A 524 1.708 1.793 -3.530 1.00 23.32 O ATOM 1371 CB SER A 524 2.935 4.262 -1.523 1.00 2.30 C ATOM 1372 OG SER A 524 3.956 3.300 -1.262 1.00 71.41 O ATOM 0 H SER A 524 1.972 1.983 -0.678 1.00 55.11 H new ATOM 0 HA SER A 524 0.856 4.378 -1.961 1.00 30.52 H new ATOM 0 HB2 SER A 524 3.262 4.933 -2.318 1.00 2.30 H new ATOM 0 HB3 SER A 524 2.777 4.874 -0.635 1.00 2.30 H new ATOM 0 HG SER A 524 3.741 2.809 -0.442 1.00 71.41 H new ATOM 1378 N ALA A 525 1.567 3.908 -4.331 1.00 0.41 N ATOM 1379 CA ALA A 525 1.537 3.549 -5.754 1.00 4.35 C ATOM 1380 C ALA A 525 2.730 2.682 -6.153 1.00 11.32 C ATOM 1381 O ALA A 525 2.599 1.740 -6.949 1.00 3.02 O ATOM 1382 CB ALA A 525 1.484 4.809 -6.610 1.00 41.33 C ATOM 0 H ALA A 525 1.526 4.914 -4.167 1.00 0.41 H new ATOM 0 HA ALA A 525 0.638 2.958 -5.926 1.00 4.35 H new ATOM 0 HB1 ALA A 525 1.462 4.532 -7.664 1.00 41.33 H new ATOM 0 HB2 ALA A 525 0.587 5.378 -6.365 1.00 41.33 H new ATOM 0 HB3 ALA A 525 2.365 5.420 -6.414 1.00 41.33 H new ATOM 1388 N GLU A 526 3.880 2.981 -5.579 1.00 71.14 N ATOM 1389 CA GLU A 526 5.086 2.235 -5.857 1.00 75.15 C ATOM 1390 C GLU A 526 4.963 0.798 -5.347 1.00 52.14 C ATOM 1391 O GLU A 526 5.441 -0.134 -5.996 1.00 62.41 O ATOM 1392 CB GLU A 526 6.296 2.920 -5.236 1.00 55.02 C ATOM 1393 CG GLU A 526 7.610 2.253 -5.564 1.00 61.12 C ATOM 1394 CD GLU A 526 8.783 2.935 -4.929 1.00 10.10 C ATOM 1395 OE1 GLU A 526 9.413 3.772 -5.583 1.00 70.35 O ATOM 1396 OE2 GLU A 526 9.094 2.632 -3.764 1.00 54.24 O ATOM 0 H GLU A 526 4.001 3.743 -4.912 1.00 71.14 H new ATOM 0 HA GLU A 526 5.225 2.204 -6.938 1.00 75.15 H new ATOM 0 HB2 GLU A 526 6.330 3.955 -5.576 1.00 55.02 H new ATOM 0 HB3 GLU A 526 6.172 2.944 -4.153 1.00 55.02 H new ATOM 0 HG2 GLU A 526 7.577 1.215 -5.234 1.00 61.12 H new ATOM 0 HG3 GLU A 526 7.745 2.240 -6.645 1.00 61.12 H new ATOM 1403 N GLU A 527 4.285 0.629 -4.218 1.00 54.21 N ATOM 1404 CA GLU A 527 4.087 -0.683 -3.618 1.00 43.23 C ATOM 1405 C GLU A 527 3.187 -1.533 -4.485 1.00 53.54 C ATOM 1406 O GLU A 527 3.437 -2.723 -4.666 1.00 35.00 O ATOM 1407 CB GLU A 527 3.508 -0.567 -2.220 1.00 61.11 C ATOM 1408 CG GLU A 527 4.415 0.131 -1.239 1.00 2.43 C ATOM 1409 CD GLU A 527 3.776 0.284 0.108 1.00 23.14 C ATOM 1410 OE1 GLU A 527 3.226 1.373 0.384 1.00 12.22 O ATOM 1411 OE2 GLU A 527 3.803 -0.678 0.905 1.00 54.23 O ATOM 0 H GLU A 527 3.859 1.394 -3.695 1.00 54.21 H new ATOM 0 HA GLU A 527 5.062 -1.164 -3.543 1.00 43.23 H new ATOM 0 HB2 GLU A 527 2.562 -0.028 -2.273 1.00 61.11 H new ATOM 0 HB3 GLU A 527 3.285 -1.566 -1.846 1.00 61.11 H new ATOM 0 HG2 GLU A 527 5.342 -0.433 -1.138 1.00 2.43 H new ATOM 0 HG3 GLU A 527 4.681 1.114 -1.628 1.00 2.43 H new ATOM 1418 N MET A 528 2.157 -0.912 -5.047 1.00 55.40 N ATOM 1419 CA MET A 528 1.253 -1.603 -5.964 1.00 22.44 C ATOM 1420 C MET A 528 2.044 -2.121 -7.146 1.00 53.41 C ATOM 1421 O MET A 528 1.969 -3.296 -7.495 1.00 40.12 O ATOM 1422 CB MET A 528 0.146 -0.664 -6.470 1.00 12.30 C ATOM 1423 CG MET A 528 -0.810 -1.320 -7.471 1.00 35.23 C ATOM 1424 SD MET A 528 -1.978 -0.162 -8.229 1.00 20.24 S ATOM 1425 CE MET A 528 -2.803 0.485 -6.790 1.00 0.00 C ATOM 0 H MET A 528 1.925 0.068 -4.885 1.00 55.40 H new ATOM 0 HA MET A 528 0.785 -2.428 -5.427 1.00 22.44 H new ATOM 0 HB2 MET A 528 -0.428 -0.301 -5.617 1.00 12.30 H new ATOM 0 HB3 MET A 528 0.606 0.206 -6.938 1.00 12.30 H new ATOM 0 HG2 MET A 528 -0.226 -1.800 -8.257 1.00 35.23 H new ATOM 0 HG3 MET A 528 -1.369 -2.106 -6.964 1.00 35.23 H new ATOM 0 HE1 MET A 528 -3.848 0.175 -6.800 1.00 0.00 H new ATOM 0 HE2 MET A 528 -2.320 0.103 -5.891 1.00 0.00 H new ATOM 0 HE3 MET A 528 -2.747 1.574 -6.797 1.00 0.00 H new ATOM 1435 N ASN A 529 2.852 -1.243 -7.705 1.00 64.54 N ATOM 1436 CA ASN A 529 3.677 -1.560 -8.863 1.00 73.34 C ATOM 1437 C ASN A 529 4.686 -2.647 -8.509 1.00 21.23 C ATOM 1438 O ASN A 529 4.971 -3.521 -9.307 1.00 74.44 O ATOM 1439 CB ASN A 529 4.399 -0.293 -9.358 1.00 13.40 C ATOM 1440 CG ASN A 529 5.227 -0.509 -10.623 1.00 31.31 C ATOM 1441 OD1 ASN A 529 4.720 -0.368 -11.736 1.00 70.44 O ATOM 1442 ND2 ASN A 529 6.493 -0.802 -10.466 1.00 71.14 N ATOM 0 H ASN A 529 2.958 -0.285 -7.371 1.00 64.54 H new ATOM 0 HA ASN A 529 3.037 -1.931 -9.663 1.00 73.34 H new ATOM 0 HB2 ASN A 529 3.659 0.485 -9.548 1.00 13.40 H new ATOM 0 HB3 ASN A 529 5.052 0.075 -8.566 1.00 13.40 H new ATOM 0 HD21 ASN A 529 7.094 -0.921 -11.282 1.00 71.14 H new ATOM 0 HD22 ASN A 529 6.879 -0.911 -9.528 1.00 71.14 H new ATOM 1449 N PHE A 530 5.170 -2.600 -7.281 1.00 25.34 N ATOM 1450 CA PHE A 530 6.148 -3.544 -6.779 1.00 32.25 C ATOM 1451 C PHE A 530 5.541 -4.941 -6.707 1.00 4.14 C ATOM 1452 O PHE A 530 6.165 -5.915 -7.118 1.00 13.34 O ATOM 1453 CB PHE A 530 6.648 -3.079 -5.400 1.00 3.41 C ATOM 1454 CG PHE A 530 7.829 -3.827 -4.856 1.00 44.13 C ATOM 1455 CD1 PHE A 530 9.053 -3.755 -5.495 1.00 53.32 C ATOM 1456 CD2 PHE A 530 7.728 -4.567 -3.691 1.00 2.14 C ATOM 1457 CE1 PHE A 530 10.153 -4.406 -4.988 1.00 4.23 C ATOM 1458 CE2 PHE A 530 8.829 -5.226 -3.181 1.00 43.02 C ATOM 1459 CZ PHE A 530 10.044 -5.143 -3.832 1.00 54.41 C ATOM 0 H PHE A 530 4.891 -1.896 -6.597 1.00 25.34 H new ATOM 0 HA PHE A 530 6.999 -3.587 -7.458 1.00 32.25 H new ATOM 0 HB2 PHE A 530 6.907 -2.022 -5.464 1.00 3.41 H new ATOM 0 HB3 PHE A 530 5.827 -3.163 -4.688 1.00 3.41 H new ATOM 0 HD1 PHE A 530 9.146 -3.180 -6.404 1.00 53.32 H new ATOM 0 HD2 PHE A 530 6.780 -4.630 -3.177 1.00 2.14 H new ATOM 0 HE1 PHE A 530 11.103 -4.339 -5.498 1.00 4.23 H new ATOM 0 HE2 PHE A 530 8.740 -5.806 -2.274 1.00 43.02 H new ATOM 0 HZ PHE A 530 10.907 -5.656 -3.434 1.00 54.41 H new ATOM 1469 N VAL A 531 4.304 -5.028 -6.242 1.00 13.14 N ATOM 1470 CA VAL A 531 3.622 -6.302 -6.137 1.00 5.44 C ATOM 1471 C VAL A 531 3.226 -6.818 -7.532 1.00 2.22 C ATOM 1472 O VAL A 531 3.264 -8.027 -7.798 1.00 71.24 O ATOM 1473 CB VAL A 531 2.390 -6.220 -5.182 1.00 10.23 C ATOM 1474 CG1 VAL A 531 1.642 -7.550 -5.117 1.00 54.20 C ATOM 1475 CG2 VAL A 531 2.847 -5.817 -3.784 1.00 64.41 C ATOM 0 H VAL A 531 3.754 -4.227 -5.931 1.00 13.14 H new ATOM 0 HA VAL A 531 4.314 -7.019 -5.696 1.00 5.44 H new ATOM 0 HB VAL A 531 1.707 -5.469 -5.578 1.00 10.23 H new ATOM 0 HG11 VAL A 531 0.791 -7.456 -4.443 1.00 54.20 H new ATOM 0 HG12 VAL A 531 1.289 -7.818 -6.113 1.00 54.20 H new ATOM 0 HG13 VAL A 531 2.312 -8.327 -4.749 1.00 54.20 H new ATOM 0 HG21 VAL A 531 1.984 -5.761 -3.121 1.00 64.41 H new ATOM 0 HG22 VAL A 531 3.550 -6.558 -3.403 1.00 64.41 H new ATOM 0 HG23 VAL A 531 3.335 -4.843 -3.827 1.00 64.41 H new ATOM 1485 N LEU A 532 2.889 -5.895 -8.427 1.00 50.14 N ATOM 1486 CA LEU A 532 2.560 -6.244 -9.809 1.00 21.11 C ATOM 1487 C LEU A 532 3.809 -6.764 -10.532 1.00 12.55 C ATOM 1488 O LEU A 532 3.738 -7.687 -11.343 1.00 34.44 O ATOM 1489 CB LEU A 532 1.978 -5.034 -10.567 1.00 41.24 C ATOM 1490 CG LEU A 532 0.677 -4.424 -10.018 1.00 33.22 C ATOM 1491 CD1 LEU A 532 0.256 -3.228 -10.858 1.00 14.13 C ATOM 1492 CD2 LEU A 532 -0.442 -5.458 -9.970 1.00 42.41 C ATOM 0 H LEU A 532 2.836 -4.897 -8.222 1.00 50.14 H new ATOM 0 HA LEU A 532 1.802 -7.027 -9.788 1.00 21.11 H new ATOM 0 HB2 LEU A 532 2.736 -4.251 -10.588 1.00 41.24 H new ATOM 0 HB3 LEU A 532 1.801 -5.335 -11.600 1.00 41.24 H new ATOM 0 HG LEU A 532 0.869 -4.089 -8.999 1.00 33.22 H new ATOM 0 HD11 LEU A 532 -0.666 -2.808 -10.456 1.00 14.13 H new ATOM 0 HD12 LEU A 532 1.040 -2.472 -10.833 1.00 14.13 H new ATOM 0 HD13 LEU A 532 0.092 -3.546 -11.887 1.00 14.13 H new ATOM 0 HD21 LEU A 532 -1.348 -4.996 -9.578 1.00 42.41 H new ATOM 0 HD22 LEU A 532 -0.633 -5.835 -10.975 1.00 42.41 H new ATOM 0 HD23 LEU A 532 -0.147 -6.284 -9.323 1.00 42.41 H new ATOM 1504 N MET A 533 4.954 -6.181 -10.188 1.00 72.12 N ATOM 1505 CA MET A 533 6.251 -6.548 -10.766 1.00 54.10 C ATOM 1506 C MET A 533 6.724 -7.890 -10.235 1.00 74.13 C ATOM 1507 O MET A 533 7.576 -8.567 -10.824 1.00 73.35 O ATOM 1508 CB MET A 533 7.290 -5.447 -10.491 1.00 22.04 C ATOM 1509 CG MET A 533 8.688 -5.717 -11.033 1.00 52.53 C ATOM 1510 SD MET A 533 9.850 -4.405 -10.609 1.00 74.33 S ATOM 1511 CE MET A 533 11.345 -5.019 -11.388 1.00 40.23 C ATOM 0 H MET A 533 5.012 -5.435 -9.495 1.00 72.12 H new ATOM 0 HA MET A 533 6.131 -6.644 -11.845 1.00 54.10 H new ATOM 0 HB2 MET A 533 6.927 -4.513 -10.920 1.00 22.04 H new ATOM 0 HB3 MET A 533 7.359 -5.297 -9.414 1.00 22.04 H new ATOM 0 HG2 MET A 533 9.053 -6.665 -10.636 1.00 52.53 H new ATOM 0 HG3 MET A 533 8.641 -5.822 -12.117 1.00 52.53 H new ATOM 0 HE1 MET A 533 12.160 -4.316 -11.216 1.00 40.23 H new ATOM 0 HE2 MET A 533 11.605 -5.988 -10.962 1.00 40.23 H new ATOM 0 HE3 MET A 533 11.179 -5.126 -12.460 1.00 40.23 H new ATOM 1521 N GLY A 534 6.146 -8.259 -9.163 1.00 62.02 N ATOM 1522 CA GLY A 534 6.495 -9.465 -8.488 1.00 5.12 C ATOM 1523 C GLY A 534 7.692 -9.281 -7.585 1.00 53.42 C ATOM 1524 O GLY A 534 8.392 -10.246 -7.259 1.00 3.44 O ATOM 0 H GLY A 534 5.401 -7.729 -8.711 1.00 62.02 H new ATOM 0 HA2 GLY A 534 5.645 -9.810 -7.898 1.00 5.12 H new ATOM 0 HA3 GLY A 534 6.710 -10.242 -9.222 1.00 5.12 H new ATOM 1528 N GLY A 535 7.934 -8.043 -7.186 1.00 14.40 N ATOM 1529 CA GLY A 535 9.009 -7.739 -6.321 1.00 13.33 C ATOM 1530 C GLY A 535 8.807 -8.380 -4.981 1.00 5.44 C ATOM 1531 O GLY A 535 7.698 -8.354 -4.440 1.00 43.14 O ATOM 0 H GLY A 535 7.377 -7.236 -7.466 1.00 14.40 H new ATOM 0 HA2 GLY A 535 9.945 -8.087 -6.759 1.00 13.33 H new ATOM 0 HA3 GLY A 535 9.094 -6.659 -6.204 1.00 13.33 H new ATOM 1535 N THR A 536 9.837 -8.956 -4.452 1.00 63.21 N ATOM 1536 CA THR A 536 9.735 -9.657 -3.224 1.00 15.34 C ATOM 1537 C THR A 536 9.696 -8.683 -2.062 1.00 55.54 C ATOM 1538 O THR A 536 10.618 -7.893 -1.857 1.00 23.24 O ATOM 1539 CB THR A 536 10.901 -10.614 -3.063 1.00 32.41 C ATOM 1540 OG1 THR A 536 11.070 -11.326 -4.302 1.00 4.35 O ATOM 1541 CG2 THR A 536 10.630 -11.618 -1.947 1.00 2.12 C ATOM 0 H THR A 536 10.771 -8.951 -4.863 1.00 63.21 H new ATOM 0 HA THR A 536 8.809 -10.232 -3.231 1.00 15.34 H new ATOM 0 HB THR A 536 11.798 -10.049 -2.808 1.00 32.41 H new ATOM 0 HG1 THR A 536 11.821 -11.950 -4.221 1.00 4.35 H new ATOM 0 HG21 THR A 536 11.480 -12.293 -1.851 1.00 2.12 H new ATOM 0 HG22 THR A 536 10.481 -11.086 -1.007 1.00 2.12 H new ATOM 0 HG23 THR A 536 9.735 -12.193 -2.184 1.00 2.12 H new ATOM 1549 N LEU A 537 8.621 -8.721 -1.365 1.00 1.54 N ATOM 1550 CA LEU A 537 8.413 -7.916 -0.202 1.00 5.33 C ATOM 1551 C LEU A 537 8.398 -8.855 0.978 1.00 44.35 C ATOM 1552 O LEU A 537 7.368 -9.472 1.285 1.00 52.02 O ATOM 1553 CB LEU A 537 7.086 -7.158 -0.313 1.00 64.44 C ATOM 1554 CG LEU A 537 6.737 -6.238 0.849 1.00 31.15 C ATOM 1555 CD1 LEU A 537 7.765 -5.121 0.989 1.00 72.31 C ATOM 1556 CD2 LEU A 537 5.339 -5.677 0.678 1.00 34.02 C ATOM 0 H LEU A 537 7.833 -9.329 -1.588 1.00 1.54 H new ATOM 0 HA LEU A 537 9.201 -7.171 -0.090 1.00 5.33 H new ATOM 0 HB2 LEU A 537 7.107 -6.563 -1.226 1.00 64.44 H new ATOM 0 HB3 LEU A 537 6.284 -7.887 -0.425 1.00 64.44 H new ATOM 0 HG LEU A 537 6.759 -6.823 1.769 1.00 31.15 H new ATOM 0 HD11 LEU A 537 7.492 -4.478 1.826 1.00 72.31 H new ATOM 0 HD12 LEU A 537 8.749 -5.553 1.169 1.00 72.31 H new ATOM 0 HD13 LEU A 537 7.789 -4.532 0.072 1.00 72.31 H new ATOM 0 HD21 LEU A 537 5.105 -5.021 1.517 1.00 34.02 H new ATOM 0 HD22 LEU A 537 5.286 -5.110 -0.251 1.00 34.02 H new ATOM 0 HD23 LEU A 537 4.620 -6.496 0.646 1.00 34.02 H new ATOM 1568 N ASN A 538 9.530 -9.010 1.592 1.00 1.52 N ATOM 1569 CA ASN A 538 9.687 -9.988 2.637 1.00 33.31 C ATOM 1570 C ASN A 538 10.344 -9.331 3.834 1.00 50.52 C ATOM 1571 O ASN A 538 10.715 -8.159 3.759 1.00 35.31 O ATOM 1572 CB ASN A 538 10.556 -11.146 2.100 1.00 22.11 C ATOM 1573 CG ASN A 538 10.439 -12.422 2.908 1.00 43.41 C ATOM 1574 OD1 ASN A 538 11.193 -12.673 3.846 1.00 12.22 O ATOM 1575 ND2 ASN A 538 9.498 -13.236 2.544 1.00 1.13 N ATOM 0 H ASN A 538 10.370 -8.468 1.389 1.00 1.52 H new ATOM 0 HA ASN A 538 8.720 -10.384 2.946 1.00 33.31 H new ATOM 0 HB2 ASN A 538 10.272 -11.353 1.068 1.00 22.11 H new ATOM 0 HB3 ASN A 538 11.599 -10.830 2.087 1.00 22.11 H new ATOM 0 HD21 ASN A 538 9.365 -14.117 3.041 1.00 1.13 H new ATOM 0 HD22 ASN A 538 8.890 -12.996 1.761 1.00 1.13 H new ATOM 1582 N ARG A 539 10.447 -10.077 4.919 1.00 51.21 N ATOM 1583 CA ARG A 539 11.071 -9.658 6.174 1.00 40.51 C ATOM 1584 C ARG A 539 10.274 -8.521 6.784 1.00 40.22 C ATOM 1585 O ARG A 539 10.779 -7.412 6.986 1.00 20.31 O ATOM 1586 CB ARG A 539 12.542 -9.243 5.971 1.00 44.52 C ATOM 1587 CG ARG A 539 13.455 -9.490 7.168 1.00 23.13 C ATOM 1588 CD ARG A 539 13.705 -10.983 7.340 1.00 72.34 C ATOM 1589 NE ARG A 539 14.250 -11.561 6.098 1.00 43.30 N ATOM 1590 CZ ARG A 539 14.466 -12.856 5.855 1.00 24.42 C ATOM 1591 NH1 ARG A 539 14.250 -13.781 6.798 1.00 44.33 N ATOM 1592 NH2 ARG A 539 14.903 -13.217 4.652 1.00 32.32 N ATOM 0 H ARG A 539 10.086 -11.030 4.958 1.00 51.21 H new ATOM 0 HA ARG A 539 11.069 -10.508 6.856 1.00 40.51 H new ATOM 0 HB2 ARG A 539 12.941 -9.783 5.112 1.00 44.52 H new ATOM 0 HB3 ARG A 539 12.573 -8.182 5.723 1.00 44.52 H new ATOM 0 HG2 ARG A 539 14.402 -8.969 7.026 1.00 23.13 H new ATOM 0 HG3 ARG A 539 13.000 -9.084 8.071 1.00 23.13 H new ATOM 0 HD2 ARG A 539 14.402 -11.149 8.162 1.00 72.34 H new ATOM 0 HD3 ARG A 539 12.775 -11.486 7.604 1.00 72.34 H new ATOM 0 HE ARG A 539 14.485 -10.907 5.351 1.00 43.30 H new ATOM 0 HH11 ARG A 539 13.915 -13.501 7.720 1.00 44.33 H new ATOM 0 HH12 ARG A 539 14.420 -14.766 6.595 1.00 44.33 H new ATOM 0 HH21 ARG A 539 15.067 -12.510 3.936 1.00 32.32 H new ATOM 0 HH22 ARG A 539 15.074 -14.201 4.446 1.00 32.32 H new ATOM 1606 N LEU A 540 9.027 -8.788 7.023 1.00 34.32 N ATOM 1607 CA LEU A 540 8.133 -7.814 7.606 1.00 54.24 C ATOM 1608 C LEU A 540 7.611 -8.340 8.918 1.00 10.45 C ATOM 1609 O LEU A 540 6.867 -9.329 8.948 1.00 74.22 O ATOM 1610 CB LEU A 540 6.959 -7.496 6.667 1.00 52.44 C ATOM 1611 CG LEU A 540 7.294 -6.855 5.314 1.00 1.44 C ATOM 1612 CD1 LEU A 540 6.023 -6.621 4.522 1.00 23.53 C ATOM 1613 CD2 LEU A 540 8.050 -5.541 5.497 1.00 63.35 C ATOM 0 H LEU A 540 8.591 -9.688 6.821 1.00 34.32 H new ATOM 0 HA LEU A 540 8.689 -6.891 7.769 1.00 54.24 H new ATOM 0 HB2 LEU A 540 6.419 -8.423 6.476 1.00 52.44 H new ATOM 0 HB3 LEU A 540 6.275 -6.831 7.195 1.00 52.44 H new ATOM 0 HG LEU A 540 7.939 -7.540 4.764 1.00 1.44 H new ATOM 0 HD11 LEU A 540 6.270 -6.166 3.563 1.00 23.53 H new ATOM 0 HD12 LEU A 540 5.519 -7.573 4.353 1.00 23.53 H new ATOM 0 HD13 LEU A 540 5.364 -5.956 5.080 1.00 23.53 H new ATOM 0 HD21 LEU A 540 8.273 -5.111 4.521 1.00 63.35 H new ATOM 0 HD22 LEU A 540 7.436 -4.845 6.069 1.00 63.35 H new ATOM 0 HD23 LEU A 540 8.981 -5.728 6.032 1.00 63.35 H new ATOM 1625 N GLU A 541 7.999 -7.711 9.987 1.00 45.22 N ATOM 1626 CA GLU A 541 7.596 -8.127 11.305 1.00 63.15 C ATOM 1627 C GLU A 541 6.779 -7.026 11.955 1.00 15.13 C ATOM 1628 CB GLU A 541 8.823 -8.465 12.150 1.00 45.42 C ATOM 1629 CG GLU A 541 9.669 -9.582 11.573 1.00 24.43 C ATOM 1630 CD GLU A 541 10.879 -9.882 12.405 1.00 75.44 C ATOM 1631 OE1 GLU A 541 11.925 -9.264 12.190 1.00 61.22 O ATOM 1632 OE2 GLU A 541 10.810 -10.767 13.297 1.00 74.01 O ATOM 0 H GLU A 541 8.606 -6.891 9.974 1.00 45.22 H new ATOM 0 HA GLU A 541 6.981 -9.024 11.230 1.00 63.15 H new ATOM 0 HB2 GLU A 541 9.439 -7.572 12.255 1.00 45.42 H new ATOM 0 HB3 GLU A 541 8.498 -8.747 13.151 1.00 45.42 H new ATOM 0 HG2 GLU A 541 9.062 -10.483 11.484 1.00 24.43 H new ATOM 0 HG3 GLU A 541 9.984 -9.310 10.566 1.00 24.43 H new TER 1639 GLU A 541