USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1279 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 NoAdj-H: B 569 HIS HD1 : B 569 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD NoAdj-H: B 572 HIS HD1 : B 572 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD Set 1.1: B 591 ASN : amide:sc= -12.9! C(o=-13!,f=-7.4!) USER MOD Set 1.2: B 595 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 562 THR OG1 : rot 180:sc= 0.0126 USER MOD Set 2.2: B 567 LYS NZ :NH3+ 140:sc= 0.0174 (180deg=0) USER MOD Set 3.1: A 70 THR OG1 : rot 180:sc= 0.105 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 45 MET CE :methyl 158:sc= -0.48 (180deg=-2.91) USER MOD Set 4.2: B 602 LYS NZ :NH3+ -124:sc= 0.101 (180deg=0.121) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0754 (180deg=-0.0754) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0263 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.801! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 39:sc= 0.108 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.091) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.511! USER MOD Single : A 28 ASN : amide:sc= -2.8! K(o=-2.8!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.977 USER MOD Single : A 40 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-0.37) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0347) USER MOD Single : A 51 LYS NZ :NH3+ -105:sc= -3.03! (180deg=-6.12!) USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.292) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= -6.83! (180deg=-9.61!) USER MOD Single : A 59 SER OG : rot 66:sc= 0.205 USER MOD Single : A 61 HIS : no HE2:sc= -10.7! C(o=-11!,f=-14!) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0354 (180deg=-0.396) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 176:sc= 0.77 USER MOD Single : A 76 HIS : no HD1:sc= -0.386 X(o=-0.39,f=0.043) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -4.7 (180deg=-5.13) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.56! K(o=-2.6!,f=-1.6) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.204) USER MOD Single : A 91 GLN : amide:sc= -4.32! C(o=-4.3!,f=-6.1!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.502 USER MOD Single : B 541 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 547 SER OG : rot 59:sc= 1.3 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.51! K(o=-3.5!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 153:sc= -0.0828 (180deg=-0.515) USER MOD Single : B 557 THR OG1 : rot 62:sc= 0.994 USER MOD Single : B 560 CYS SG : rot 34:sc= 0.218 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 155:sc=-0.00247 (180deg=-0.705) USER MOD Single : B 581 GLN : amide:sc= -7.1! C(o=-7.1!,f=-2.7!) USER MOD Single : B 583 ASN : amide:sc= -1.97! C(o=-2!,f=-3.5!) USER MOD Single : B 584 LYS NZ :NH3+ -128:sc= -7.37! (180deg=-9.84!) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.329 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -0.533! K(o=-0.53!,f=-2.8) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 597 GLN : amide:sc= -4.64! K(o=-4.6!,f=-0.029) USER MOD Single : B 598 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.52) USER MOD Single : B 605 CYS SG : rot -11:sc= -2.03! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 87.873 -27.333 10.029 1.00 0.00 N ATOM 2 CA MET A 1 89.090 -27.761 9.285 1.00 0.00 C ATOM 3 C MET A 1 89.584 -29.098 9.853 1.00 0.00 C ATOM 4 O MET A 1 88.801 -29.965 10.188 1.00 0.00 O ATOM 5 CB MET A 1 90.181 -26.685 9.435 1.00 0.00 C ATOM 6 CG MET A 1 91.111 -26.697 8.217 1.00 0.00 C ATOM 7 SD MET A 1 92.451 -25.504 8.476 1.00 0.00 S ATOM 8 CE MET A 1 92.466 -24.786 6.815 1.00 0.00 C ATOM 0 H1 MET A 1 87.192 -26.909 9.367 1.00 0.00 H new ATOM 0 H2 MET A 1 87.440 -28.158 10.490 1.00 0.00 H new ATOM 0 H3 MET A 1 88.136 -26.632 10.751 1.00 0.00 H new ATOM 0 HA MET A 1 88.857 -27.887 8.228 1.00 0.00 H new ATOM 0 HB2 MET A 1 89.720 -25.703 9.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 90.757 -26.865 10.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 91.521 -27.696 8.068 1.00 0.00 H new ATOM 0 HG3 MET A 1 90.552 -26.444 7.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.235 -24.015 6.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 92.680 -25.565 6.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 91.493 -24.344 6.601 1.00 0.00 H new ATOM 18 N ALA A 2 90.874 -29.270 9.962 1.00 0.00 N ATOM 19 CA ALA A 2 91.412 -30.550 10.505 1.00 0.00 C ATOM 20 C ALA A 2 92.919 -30.432 10.696 1.00 0.00 C ATOM 21 O ALA A 2 93.486 -31.004 11.606 1.00 0.00 O ATOM 22 CB ALA A 2 91.142 -31.672 9.512 1.00 0.00 C ATOM 0 H ALA A 2 91.578 -28.580 9.699 1.00 0.00 H new ATOM 0 HA ALA A 2 90.929 -30.763 11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 2 91.534 -32.609 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 2 90.068 -31.767 9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 2 91.630 -31.445 8.564 1.00 0.00 H new ATOM 28 N LEU A 3 93.568 -29.697 9.830 1.00 0.00 N ATOM 29 CA LEU A 3 95.047 -29.523 9.924 1.00 0.00 C ATOM 30 C LEU A 3 95.454 -29.360 11.377 1.00 0.00 C ATOM 31 O LEU A 3 95.887 -30.286 12.033 1.00 0.00 O ATOM 32 CB LEU A 3 95.446 -28.248 9.180 1.00 0.00 C ATOM 33 CG LEU A 3 95.322 -28.465 7.668 1.00 0.00 C ATOM 34 CD1 LEU A 3 95.435 -27.113 6.958 1.00 0.00 C ATOM 35 CD2 LEU A 3 96.430 -29.411 7.167 1.00 0.00 C ATOM 0 H LEU A 3 93.129 -29.204 9.052 1.00 0.00 H new ATOM 0 HA LEU A 3 95.536 -30.396 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 3 94.808 -27.421 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 3 96.470 -27.974 9.434 1.00 0.00 H new ATOM 0 HG LEU A 3 94.355 -28.919 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 3 95.348 -27.259 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.637 -26.454 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 3 96.401 -26.662 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.327 -29.554 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 3 97.406 -28.976 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 3 96.342 -30.373 7.671 1.00 0.00 H new ATOM 47 N ASP A 4 95.301 -28.172 11.868 1.00 0.00 N ATOM 48 CA ASP A 4 95.658 -27.876 13.282 1.00 0.00 C ATOM 49 C ASP A 4 96.987 -28.553 13.621 1.00 0.00 C ATOM 50 O ASP A 4 97.293 -28.833 14.763 1.00 0.00 O ATOM 51 CB ASP A 4 94.557 -28.422 14.179 1.00 0.00 C ATOM 52 CG ASP A 4 94.929 -28.220 15.650 1.00 0.00 C ATOM 53 OD1 ASP A 4 95.356 -27.128 15.988 1.00 0.00 O ATOM 54 OD2 ASP A 4 94.780 -29.161 16.412 1.00 0.00 O ATOM 0 H ASP A 4 94.938 -27.376 11.344 1.00 0.00 H new ATOM 0 HA ASP A 4 95.760 -26.801 13.431 1.00 0.00 H new ATOM 0 HB2 ASP A 4 93.616 -27.917 13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 4 94.404 -29.482 13.977 1.00 0.00 H new ATOM 59 N GLY A 5 97.772 -28.812 12.623 1.00 0.00 N ATOM 60 CA GLY A 5 99.086 -29.469 12.846 1.00 0.00 C ATOM 61 C GLY A 5 99.967 -28.523 13.633 1.00 0.00 C ATOM 62 O GLY A 5 101.014 -28.884 14.135 1.00 0.00 O ATOM 0 H GLY A 5 97.560 -28.595 11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 5 98.955 -30.405 13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 5 99.553 -29.717 11.893 1.00 0.00 H new ATOM 66 N ILE A 6 99.539 -27.302 13.719 1.00 0.00 N ATOM 67 CA ILE A 6 100.311 -26.254 14.445 1.00 0.00 C ATOM 68 C ILE A 6 99.533 -25.861 15.716 1.00 0.00 C ATOM 69 O ILE A 6 99.534 -26.585 16.691 1.00 0.00 O ATOM 70 CB ILE A 6 100.512 -25.037 13.497 1.00 0.00 C ATOM 71 CG1 ILE A 6 99.498 -25.099 12.335 1.00 0.00 C ATOM 72 CG2 ILE A 6 101.937 -25.022 12.934 1.00 0.00 C ATOM 73 CD1 ILE A 6 99.905 -26.142 11.274 1.00 0.00 C ATOM 0 H ILE A 6 98.665 -26.974 13.308 1.00 0.00 H new ATOM 0 HA ILE A 6 101.293 -26.621 14.744 1.00 0.00 H new ATOM 0 HB ILE A 6 100.350 -24.124 14.071 1.00 0.00 H new ATOM 0 HG12 ILE A 6 98.511 -25.345 12.727 1.00 0.00 H new ATOM 0 HG13 ILE A 6 99.420 -24.117 11.868 1.00 0.00 H new ATOM 0 HG21 ILE A 6 102.058 -24.164 12.273 1.00 0.00 H new ATOM 0 HG22 ILE A 6 102.652 -24.952 13.754 1.00 0.00 H new ATOM 0 HG23 ILE A 6 102.116 -25.939 12.373 1.00 0.00 H new ATOM 0 HD11 ILE A 6 99.165 -26.154 10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 6 100.880 -25.881 10.863 1.00 0.00 H new ATOM 0 HD13 ILE A 6 99.957 -27.128 11.735 1.00 0.00 H new ATOM 85 N ARG A 7 98.879 -24.727 15.729 1.00 0.00 N ATOM 86 CA ARG A 7 98.134 -24.321 16.942 1.00 0.00 C ATOM 87 C ARG A 7 97.100 -23.255 16.587 1.00 0.00 C ATOM 88 O ARG A 7 96.049 -23.552 16.056 1.00 0.00 O ATOM 89 CB ARG A 7 99.112 -23.762 17.975 1.00 0.00 C ATOM 90 CG ARG A 7 100.074 -22.729 17.333 1.00 0.00 C ATOM 91 CD ARG A 7 101.444 -23.365 17.082 1.00 0.00 C ATOM 92 NE ARG A 7 102.376 -22.346 16.522 1.00 0.00 N ATOM 93 CZ ARG A 7 103.573 -22.697 16.136 1.00 0.00 C ATOM 94 NH1 ARG A 7 104.389 -21.802 15.653 1.00 0.00 N ATOM 95 NH2 ARG A 7 103.953 -23.942 16.233 1.00 0.00 N ATOM 0 H ARG A 7 98.833 -24.071 14.950 1.00 0.00 H new ATOM 0 HA ARG A 7 97.621 -25.189 17.356 1.00 0.00 H new ATOM 0 HB2 ARG A 7 98.558 -23.291 18.787 1.00 0.00 H new ATOM 0 HB3 ARG A 7 99.688 -24.577 18.413 1.00 0.00 H new ATOM 0 HG2 ARG A 7 99.656 -22.367 16.394 1.00 0.00 H new ATOM 0 HG3 ARG A 7 100.181 -21.865 17.989 1.00 0.00 H new ATOM 0 HD2 ARG A 7 101.845 -23.766 18.013 1.00 0.00 H new ATOM 0 HD3 ARG A 7 101.346 -24.201 16.390 1.00 0.00 H new ATOM 0 HE ARG A 7 102.079 -21.374 16.440 1.00 0.00 H new ATOM 0 HH11 ARG A 7 104.092 -20.829 15.577 1.00 0.00 H new ATOM 0 HH12 ARG A 7 105.324 -22.075 15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 7 103.315 -24.642 16.611 1.00 0.00 H new ATOM 0 HH22 ARG A 7 104.888 -24.215 15.931 1.00 0.00 H new ATOM 109 N MET A 8 97.380 -22.012 16.887 1.00 0.00 N ATOM 110 CA MET A 8 96.398 -20.929 16.577 1.00 0.00 C ATOM 111 C MET A 8 97.141 -19.617 16.215 1.00 0.00 C ATOM 112 O MET A 8 97.045 -19.179 15.088 1.00 0.00 O ATOM 113 CB MET A 8 95.415 -20.758 17.765 1.00 0.00 C ATOM 114 CG MET A 8 95.840 -21.668 18.938 1.00 0.00 C ATOM 115 SD MET A 8 94.876 -21.235 20.410 1.00 0.00 S ATOM 116 CE MET A 8 95.076 -22.800 21.296 1.00 0.00 C ATOM 0 H MET A 8 98.244 -21.701 17.332 1.00 0.00 H new ATOM 0 HA MET A 8 95.805 -21.202 15.704 1.00 0.00 H new ATOM 0 HB2 MET A 8 95.400 -19.717 18.088 1.00 0.00 H new ATOM 0 HB3 MET A 8 94.402 -21.008 17.449 1.00 0.00 H new ATOM 0 HG2 MET A 8 95.679 -22.714 18.679 1.00 0.00 H new ATOM 0 HG3 MET A 8 96.905 -21.549 19.138 1.00 0.00 H new ATOM 0 HE1 MET A 8 94.550 -22.748 22.249 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.664 -23.612 20.697 1.00 0.00 H new ATOM 0 HE3 MET A 8 96.135 -22.983 21.476 1.00 0.00 H new ATOM 126 N PRO A 9 97.901 -18.985 17.099 1.00 0.00 N ATOM 127 CA PRO A 9 98.640 -17.745 16.719 1.00 0.00 C ATOM 128 C PRO A 9 99.342 -17.952 15.384 1.00 0.00 C ATOM 129 O PRO A 9 99.466 -17.060 14.569 1.00 0.00 O ATOM 130 CB PRO A 9 99.656 -17.578 17.847 1.00 0.00 C ATOM 131 CG PRO A 9 98.963 -18.141 19.029 1.00 0.00 C ATOM 132 CD PRO A 9 98.157 -19.333 18.509 1.00 0.00 C ATOM 0 HA PRO A 9 97.998 -16.872 16.601 1.00 0.00 H new ATOM 0 HB2 PRO A 9 100.582 -18.112 17.634 1.00 0.00 H new ATOM 0 HB3 PRO A 9 99.919 -16.531 17.998 1.00 0.00 H new ATOM 0 HG2 PRO A 9 99.678 -18.454 19.790 1.00 0.00 H new ATOM 0 HG3 PRO A 9 98.311 -17.399 19.491 1.00 0.00 H new ATOM 0 HD2 PRO A 9 98.716 -20.265 18.598 1.00 0.00 H new ATOM 0 HD3 PRO A 9 97.229 -19.464 19.065 1.00 0.00 H new ATOM 140 N ASP A 10 99.783 -19.157 15.172 1.00 0.00 N ATOM 141 CA ASP A 10 100.476 -19.519 13.899 1.00 0.00 C ATOM 142 C ASP A 10 99.528 -20.370 13.063 1.00 0.00 C ATOM 143 O ASP A 10 99.568 -20.365 11.849 1.00 0.00 O ATOM 144 CB ASP A 10 101.742 -20.321 14.214 1.00 0.00 C ATOM 145 CG ASP A 10 102.634 -20.380 12.971 1.00 0.00 C ATOM 146 OD1 ASP A 10 103.552 -19.581 12.886 1.00 0.00 O ATOM 147 OD2 ASP A 10 102.383 -21.224 12.126 1.00 0.00 O ATOM 0 H ASP A 10 99.693 -19.924 15.838 1.00 0.00 H new ATOM 0 HA ASP A 10 100.754 -18.618 13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 10 102.282 -19.858 15.040 1.00 0.00 H new ATOM 0 HB3 ASP A 10 101.476 -21.329 14.532 1.00 0.00 H new ATOM 152 N GLY A 11 98.667 -21.097 13.715 1.00 0.00 N ATOM 153 CA GLY A 11 97.694 -21.953 12.981 1.00 0.00 C ATOM 154 C GLY A 11 96.488 -21.112 12.587 1.00 0.00 C ATOM 155 O GLY A 11 95.514 -21.605 12.055 1.00 0.00 O ATOM 0 H GLY A 11 98.594 -21.136 14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 11 98.162 -22.378 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 11 97.381 -22.789 13.607 1.00 0.00 H new ATOM 159 N CYS A 12 96.558 -19.842 12.852 1.00 0.00 N ATOM 160 CA CYS A 12 95.434 -18.927 12.514 1.00 0.00 C ATOM 161 C CYS A 12 95.780 -17.506 12.982 1.00 0.00 C ATOM 162 O CYS A 12 96.382 -16.732 12.265 1.00 0.00 O ATOM 163 CB CYS A 12 94.169 -19.410 13.232 1.00 0.00 C ATOM 164 SG CYS A 12 92.940 -18.078 13.309 1.00 0.00 S ATOM 0 H CYS A 12 97.358 -19.390 13.295 1.00 0.00 H new ATOM 0 HA CYS A 12 95.267 -18.922 11.437 1.00 0.00 H new ATOM 0 HB2 CYS A 12 93.751 -20.270 12.708 1.00 0.00 H new ATOM 0 HB3 CYS A 12 94.419 -19.742 14.240 1.00 0.00 H new ATOM 0 HG CYS A 12 91.874 -18.506 13.918 1.00 0.00 H new ATOM 170 N TYR A 13 95.391 -17.164 14.183 1.00 0.00 N ATOM 171 CA TYR A 13 95.670 -15.800 14.724 1.00 0.00 C ATOM 172 C TYR A 13 94.832 -15.623 15.995 1.00 0.00 C ATOM 173 O TYR A 13 95.328 -15.255 17.040 1.00 0.00 O ATOM 174 CB TYR A 13 95.279 -14.723 13.670 1.00 0.00 C ATOM 175 CG TYR A 13 96.526 -14.105 13.061 1.00 0.00 C ATOM 176 CD1 TYR A 13 96.765 -14.203 11.682 1.00 0.00 C ATOM 177 CD2 TYR A 13 97.440 -13.435 13.882 1.00 0.00 C ATOM 178 CE1 TYR A 13 97.917 -13.629 11.130 1.00 0.00 C ATOM 179 CE2 TYR A 13 98.591 -12.862 13.328 1.00 0.00 C ATOM 180 CZ TYR A 13 98.830 -12.959 11.953 1.00 0.00 C ATOM 181 OH TYR A 13 99.965 -12.395 11.408 1.00 0.00 O ATOM 0 H TYR A 13 94.885 -17.780 14.820 1.00 0.00 H new ATOM 0 HA TYR A 13 96.730 -15.686 14.950 1.00 0.00 H new ATOM 0 HB2 TYR A 13 94.669 -15.175 12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 13 94.673 -13.948 14.139 1.00 0.00 H new ATOM 0 HD1 TYR A 13 96.061 -14.721 11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 13 97.257 -13.360 14.944 1.00 0.00 H new ATOM 0 HE1 TYR A 13 98.101 -13.703 10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 13 99.295 -12.345 13.963 1.00 0.00 H new ATOM 0 HH TYR A 13 100.491 -11.968 12.116 1.00 0.00 H new ATOM 191 N ALA A 14 93.561 -15.891 15.890 1.00 0.00 N ATOM 192 CA ALA A 14 92.636 -15.759 17.050 1.00 0.00 C ATOM 193 C ALA A 14 91.222 -15.686 16.493 1.00 0.00 C ATOM 194 O ALA A 14 90.312 -16.338 16.967 1.00 0.00 O ATOM 195 CB ALA A 14 92.960 -14.485 17.851 1.00 0.00 C ATOM 0 H ALA A 14 93.114 -16.203 15.028 1.00 0.00 H new ATOM 0 HA ALA A 14 92.742 -16.609 17.724 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.276 -14.402 18.695 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.985 -14.537 18.218 1.00 0.00 H new ATOM 0 HB3 ALA A 14 92.849 -13.612 17.207 1.00 0.00 H new ATOM 201 N ASP A 15 91.041 -14.900 15.475 1.00 0.00 N ATOM 202 CA ASP A 15 89.699 -14.777 14.856 1.00 0.00 C ATOM 203 C ASP A 15 89.833 -14.219 13.432 1.00 0.00 C ATOM 204 O ASP A 15 88.852 -13.976 12.758 1.00 0.00 O ATOM 205 CB ASP A 15 88.849 -13.831 15.698 1.00 0.00 C ATOM 206 CG ASP A 15 87.393 -13.896 15.235 1.00 0.00 C ATOM 207 OD1 ASP A 15 87.043 -13.143 14.341 1.00 0.00 O ATOM 208 OD2 ASP A 15 86.653 -14.697 15.781 1.00 0.00 O ATOM 0 H ASP A 15 91.770 -14.333 15.042 1.00 0.00 H new ATOM 0 HA ASP A 15 89.225 -15.758 14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 15 88.918 -14.104 16.751 1.00 0.00 H new ATOM 0 HB3 ASP A 15 89.224 -12.812 15.608 1.00 0.00 H new ATOM 213 N GLY A 16 91.040 -14.007 12.974 1.00 0.00 N ATOM 214 CA GLY A 16 91.237 -13.457 11.602 1.00 0.00 C ATOM 215 C GLY A 16 90.983 -11.954 11.638 1.00 0.00 C ATOM 216 O GLY A 16 90.431 -11.382 10.719 1.00 0.00 O ATOM 0 H GLY A 16 91.898 -14.192 13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 16 92.250 -13.661 11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 16 90.556 -13.939 10.900 1.00 0.00 H new ATOM 220 N THR A 17 91.376 -11.314 12.704 1.00 0.00 N ATOM 221 CA THR A 17 91.152 -9.849 12.833 1.00 0.00 C ATOM 222 C THR A 17 92.286 -9.077 12.169 1.00 0.00 C ATOM 223 O THR A 17 93.444 -9.219 12.510 1.00 0.00 O ATOM 224 CB THR A 17 91.096 -9.482 14.322 1.00 0.00 C ATOM 225 OG1 THR A 17 92.095 -10.210 15.022 1.00 0.00 O ATOM 226 CG2 THR A 17 89.721 -9.826 14.892 1.00 0.00 C ATOM 0 H THR A 17 91.847 -11.748 13.498 1.00 0.00 H new ATOM 0 HA THR A 17 90.214 -9.588 12.343 1.00 0.00 H new ATOM 0 HB THR A 17 91.272 -8.412 14.436 1.00 0.00 H new ATOM 0 HG1 THR A 17 92.906 -10.262 14.474 1.00 0.00 H new ATOM 0 HG21 THR A 17 89.689 -9.563 15.949 1.00 0.00 H new ATOM 0 HG22 THR A 17 88.954 -9.267 14.355 1.00 0.00 H new ATOM 0 HG23 THR A 17 89.537 -10.894 14.779 1.00 0.00 H new ATOM 234 N TRP A 18 91.944 -8.242 11.235 1.00 0.00 N ATOM 235 CA TRP A 18 92.956 -7.413 10.533 1.00 0.00 C ATOM 236 C TRP A 18 92.382 -6.001 10.384 1.00 0.00 C ATOM 237 O TRP A 18 91.327 -5.808 9.814 1.00 0.00 O ATOM 238 CB TRP A 18 93.261 -8.016 9.147 1.00 0.00 C ATOM 239 CG TRP A 18 92.156 -8.927 8.707 1.00 0.00 C ATOM 240 CD1 TRP A 18 90.951 -8.524 8.241 1.00 0.00 C ATOM 241 CD2 TRP A 18 92.141 -10.384 8.673 1.00 0.00 C ATOM 242 NE1 TRP A 18 90.199 -9.643 7.924 1.00 0.00 N ATOM 243 CE2 TRP A 18 90.888 -10.811 8.176 1.00 0.00 C ATOM 244 CE3 TRP A 18 93.084 -11.366 9.025 1.00 0.00 C ATOM 245 CZ2 TRP A 18 90.581 -12.165 8.031 1.00 0.00 C ATOM 246 CZ3 TRP A 18 92.779 -12.730 8.881 1.00 0.00 C ATOM 247 CH2 TRP A 18 91.529 -13.128 8.385 1.00 0.00 C ATOM 0 H TRP A 18 90.984 -8.096 10.921 1.00 0.00 H new ATOM 0 HA TRP A 18 93.886 -7.383 11.100 1.00 0.00 H new ATOM 0 HB2 TRP A 18 93.390 -7.216 8.418 1.00 0.00 H new ATOM 0 HB3 TRP A 18 94.200 -8.568 9.185 1.00 0.00 H new ATOM 0 HD1 TRP A 18 90.629 -7.499 8.134 1.00 0.00 H new ATOM 0 HE1 TRP A 18 89.251 -9.608 7.550 1.00 0.00 H new ATOM 0 HE3 TRP A 18 94.049 -11.070 9.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 89.617 -12.466 7.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 93.511 -13.476 9.154 1.00 0.00 H new ATOM 0 HH2 TRP A 18 91.300 -14.178 8.277 1.00 0.00 H new ATOM 258 N GLU A 19 93.065 -5.015 10.893 1.00 0.00 N ATOM 259 CA GLU A 19 92.543 -3.622 10.776 1.00 0.00 C ATOM 260 C GLU A 19 92.814 -3.115 9.364 1.00 0.00 C ATOM 261 O GLU A 19 93.919 -3.195 8.865 1.00 0.00 O ATOM 262 CB GLU A 19 93.213 -2.685 11.820 1.00 0.00 C ATOM 263 CG GLU A 19 94.390 -3.388 12.487 1.00 0.00 C ATOM 264 CD GLU A 19 95.419 -3.788 11.428 1.00 0.00 C ATOM 265 OE1 GLU A 19 95.699 -4.970 11.319 1.00 0.00 O ATOM 266 OE2 GLU A 19 95.910 -2.905 10.744 1.00 0.00 O ATOM 0 H GLU A 19 93.955 -5.110 11.382 1.00 0.00 H new ATOM 0 HA GLU A 19 91.471 -3.624 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 19 93.555 -1.772 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 19 92.483 -2.389 12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 19 94.849 -2.729 13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 19 94.042 -4.272 13.022 1.00 0.00 H new ATOM 273 N LEU A 20 91.817 -2.581 8.718 1.00 0.00 N ATOM 274 CA LEU A 20 92.028 -2.058 7.344 1.00 0.00 C ATOM 275 C LEU A 20 92.590 -0.644 7.475 1.00 0.00 C ATOM 276 O LEU A 20 92.107 0.152 8.252 1.00 0.00 O ATOM 277 CB LEU A 20 90.676 -2.046 6.582 1.00 0.00 C ATOM 278 CG LEU A 20 90.788 -2.766 5.220 1.00 0.00 C ATOM 279 CD1 LEU A 20 92.002 -2.248 4.418 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.896 -4.292 5.445 1.00 0.00 C ATOM 0 H LEU A 20 90.869 -2.485 9.081 1.00 0.00 H new ATOM 0 HA LEU A 20 92.723 -2.684 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.911 -2.530 7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 20 90.355 -1.016 6.425 1.00 0.00 H new ATOM 0 HG LEU A 20 89.891 -2.554 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 20 92.058 -2.771 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.891 -1.179 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.916 -2.428 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.975 -4.797 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.781 -4.510 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 20 90.008 -4.646 5.969 1.00 0.00 H new ATOM 292 N SER A 21 93.611 -0.330 6.737 1.00 0.00 N ATOM 293 CA SER A 21 94.204 1.028 6.846 1.00 0.00 C ATOM 294 C SER A 21 93.343 2.024 6.084 1.00 0.00 C ATOM 295 O SER A 21 92.776 1.711 5.055 1.00 0.00 O ATOM 296 CB SER A 21 95.618 1.016 6.258 1.00 0.00 C ATOM 297 OG SER A 21 96.409 1.992 6.922 1.00 0.00 O ATOM 0 H SER A 21 94.061 -0.951 6.065 1.00 0.00 H new ATOM 0 HA SER A 21 94.250 1.320 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 21 96.065 0.028 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.582 1.226 5.189 1.00 0.00 H new ATOM 0 HG SER A 21 97.316 1.987 6.550 1.00 0.00 H new ATOM 303 N VAL A 22 93.254 3.228 6.578 1.00 0.00 N ATOM 304 CA VAL A 22 92.442 4.268 5.880 1.00 0.00 C ATOM 305 C VAL A 22 93.187 5.597 5.896 1.00 0.00 C ATOM 306 O VAL A 22 93.266 6.276 6.899 1.00 0.00 O ATOM 307 CB VAL A 22 91.066 4.411 6.548 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.375 5.694 6.080 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.205 3.225 6.134 1.00 0.00 C ATOM 0 H VAL A 22 93.709 3.538 7.437 1.00 0.00 H new ATOM 0 HA VAL A 22 92.286 3.963 4.845 1.00 0.00 H new ATOM 0 HB VAL A 22 91.195 4.447 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.402 5.780 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.989 6.555 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.242 5.662 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 22 89.223 3.309 6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.094 3.217 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.681 2.299 6.457 1.00 0.00 H new ATOM 319 N HIS A 23 93.715 5.971 4.770 1.00 0.00 N ATOM 320 CA HIS A 23 94.442 7.256 4.672 1.00 0.00 C ATOM 321 C HIS A 23 93.415 8.371 4.518 1.00 0.00 C ATOM 322 O HIS A 23 92.856 8.568 3.457 1.00 0.00 O ATOM 323 CB HIS A 23 95.347 7.203 3.436 1.00 0.00 C ATOM 324 CG HIS A 23 96.664 6.560 3.787 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.867 7.243 3.702 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.980 5.298 4.224 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.841 6.396 4.079 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.356 5.196 4.408 1.00 0.00 N ATOM 0 H HIS A 23 93.672 5.433 3.904 1.00 0.00 H new ATOM 0 HA HIS A 23 95.049 7.437 5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.858 6.639 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.515 8.210 3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.269 4.504 4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.889 6.655 4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.881 4.381 4.726 1.00 0.00 H new ATOM 336 N VAL A 24 93.162 9.109 5.559 1.00 0.00 N ATOM 337 CA VAL A 24 92.173 10.205 5.442 1.00 0.00 C ATOM 338 C VAL A 24 92.815 11.314 4.609 1.00 0.00 C ATOM 339 O VAL A 24 93.676 12.030 5.069 1.00 0.00 O ATOM 340 CB VAL A 24 91.786 10.703 6.849 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.348 11.230 6.839 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.873 9.537 7.839 1.00 0.00 C ATOM 0 H VAL A 24 93.594 9.001 6.477 1.00 0.00 H new ATOM 0 HA VAL A 24 91.258 9.868 4.954 1.00 0.00 H new ATOM 0 HB VAL A 24 92.467 11.501 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.082 11.580 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.268 12.055 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.669 10.430 6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.600 9.885 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.189 8.746 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.892 9.150 7.856 1.00 0.00 H new ATOM 352 N THR A 25 92.430 11.423 3.369 1.00 0.00 N ATOM 353 CA THR A 25 93.040 12.445 2.475 1.00 0.00 C ATOM 354 C THR A 25 92.627 13.860 2.900 1.00 0.00 C ATOM 355 O THR A 25 93.448 14.656 3.309 1.00 0.00 O ATOM 356 CB THR A 25 92.585 12.178 1.036 1.00 0.00 C ATOM 357 OG1 THR A 25 91.291 12.731 0.839 1.00 0.00 O ATOM 358 CG2 THR A 25 92.542 10.665 0.778 1.00 0.00 C ATOM 0 H THR A 25 91.713 10.843 2.933 1.00 0.00 H new ATOM 0 HA THR A 25 94.126 12.376 2.543 1.00 0.00 H new ATOM 0 HB THR A 25 93.288 12.640 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.000 12.562 -0.081 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.218 10.480 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.536 10.242 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.842 10.198 1.470 1.00 0.00 H new ATOM 366 N ASP A 26 91.369 14.186 2.794 1.00 0.00 N ATOM 367 CA ASP A 26 90.914 15.556 3.179 1.00 0.00 C ATOM 368 C ASP A 26 91.455 15.929 4.564 1.00 0.00 C ATOM 369 O ASP A 26 91.333 17.058 4.996 1.00 0.00 O ATOM 370 CB ASP A 26 89.386 15.587 3.213 1.00 0.00 C ATOM 371 CG ASP A 26 88.907 16.942 3.741 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.363 16.970 4.833 1.00 0.00 O ATOM 373 OD2 ASP A 26 89.091 17.926 3.045 1.00 0.00 O ATOM 0 H ASP A 26 90.634 13.564 2.457 1.00 0.00 H new ATOM 0 HA ASP A 26 91.289 16.272 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 88.987 15.414 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.011 14.785 3.849 1.00 0.00 H new ATOM 378 N LEU A 27 92.040 14.990 5.265 1.00 0.00 N ATOM 379 CA LEU A 27 92.584 15.278 6.635 1.00 0.00 C ATOM 380 C LEU A 27 94.086 14.977 6.647 1.00 0.00 C ATOM 381 O LEU A 27 94.822 15.500 7.455 1.00 0.00 O ATOM 382 CB LEU A 27 91.852 14.374 7.647 1.00 0.00 C ATOM 383 CG LEU A 27 90.754 15.160 8.387 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.724 14.184 8.960 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.377 15.966 9.533 1.00 0.00 C ATOM 0 H LEU A 27 92.167 14.029 4.948 1.00 0.00 H new ATOM 0 HA LEU A 27 92.430 16.324 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.410 13.523 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.566 13.973 8.366 1.00 0.00 H new ATOM 0 HG LEU A 27 90.267 15.839 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.947 14.741 9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.275 13.611 8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.215 13.504 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.597 16.521 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.867 15.287 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.111 16.664 9.130 1.00 0.00 H new ATOM 397 N ASN A 28 94.523 14.132 5.756 1.00 0.00 N ATOM 398 CA ASN A 28 95.968 13.761 5.676 1.00 0.00 C ATOM 399 C ASN A 28 96.342 12.826 6.824 1.00 0.00 C ATOM 400 O ASN A 28 97.507 12.606 7.090 1.00 0.00 O ATOM 401 CB ASN A 28 96.850 15.018 5.738 1.00 0.00 C ATOM 402 CG ASN A 28 98.226 14.699 5.163 1.00 0.00 C ATOM 403 OD1 ASN A 28 98.961 15.584 4.771 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.599 13.458 5.099 1.00 0.00 N ATOM 0 H ASN A 28 93.930 13.673 5.065 1.00 0.00 H new ATOM 0 HA ASN A 28 96.135 13.251 4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.387 15.829 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 28 96.944 15.359 6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.515 13.220 4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.977 12.721 5.430 1.00 0.00 H new ATOM 411 N ARG A 29 95.377 12.267 7.512 1.00 0.00 N ATOM 412 CA ARG A 29 95.700 11.354 8.633 1.00 0.00 C ATOM 413 C ARG A 29 95.635 9.914 8.158 1.00 0.00 C ATOM 414 O ARG A 29 95.353 9.624 7.013 1.00 0.00 O ATOM 415 CB ARG A 29 94.685 11.528 9.747 1.00 0.00 C ATOM 416 CG ARG A 29 94.731 12.965 10.251 1.00 0.00 C ATOM 417 CD ARG A 29 93.625 13.177 11.284 1.00 0.00 C ATOM 418 NE ARG A 29 94.072 12.653 12.605 1.00 0.00 N ATOM 419 CZ ARG A 29 94.917 13.338 13.327 1.00 0.00 C ATOM 420 NH1 ARG A 29 95.306 12.880 14.486 1.00 0.00 N ATOM 421 NH2 ARG A 29 95.372 14.480 12.890 1.00 0.00 N ATOM 0 H ARG A 29 94.382 12.408 7.340 1.00 0.00 H new ATOM 0 HA ARG A 29 96.701 11.589 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.685 11.290 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.901 10.838 10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.704 13.175 10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.604 13.658 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.385 14.237 11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.715 12.667 10.968 1.00 0.00 H new ATOM 0 HE ARG A 29 93.718 11.759 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.950 11.987 14.827 1.00 0.00 H new ATOM 0 HH12 ARG A 29 95.966 13.415 15.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 95.068 14.837 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 29 96.032 15.015 13.454 1.00 0.00 H new ATOM 435 N ASP A 30 95.870 9.014 9.058 1.00 0.00 N ATOM 436 CA ASP A 30 95.809 7.566 8.736 1.00 0.00 C ATOM 437 C ASP A 30 95.116 6.860 9.886 1.00 0.00 C ATOM 438 O ASP A 30 95.576 6.885 11.011 1.00 0.00 O ATOM 439 CB ASP A 30 97.215 6.997 8.562 1.00 0.00 C ATOM 440 CG ASP A 30 97.799 7.459 7.225 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.080 8.101 6.477 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.955 7.164 6.972 1.00 0.00 O ATOM 0 H ASP A 30 96.108 9.223 10.028 1.00 0.00 H new ATOM 0 HA ASP A 30 95.263 7.418 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.854 7.326 9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.184 5.908 8.599 1.00 0.00 H new ATOM 447 N VAL A 31 94.001 6.246 9.612 1.00 0.00 N ATOM 448 CA VAL A 31 93.236 5.541 10.679 1.00 0.00 C ATOM 449 C VAL A 31 93.100 4.067 10.322 1.00 0.00 C ATOM 450 O VAL A 31 93.204 3.678 9.175 1.00 0.00 O ATOM 451 CB VAL A 31 91.851 6.164 10.786 1.00 0.00 C ATOM 452 CG1 VAL A 31 91.149 5.623 12.030 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.981 7.691 10.887 1.00 0.00 C ATOM 0 H VAL A 31 93.581 6.201 8.684 1.00 0.00 H new ATOM 0 HA VAL A 31 93.761 5.634 11.630 1.00 0.00 H new ATOM 0 HB VAL A 31 91.267 5.912 9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.157 6.067 12.110 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.057 4.540 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 31 91.732 5.876 12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.989 8.136 10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 31 92.564 7.949 11.771 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.483 8.073 9.998 1.00 0.00 H new ATOM 463 N THR A 32 92.868 3.246 11.308 1.00 0.00 N ATOM 464 CA THR A 32 92.719 1.780 11.071 1.00 0.00 C ATOM 465 C THR A 32 91.478 1.291 11.829 1.00 0.00 C ATOM 466 O THR A 32 91.250 1.657 12.966 1.00 0.00 O ATOM 467 CB THR A 32 93.989 1.063 11.598 1.00 0.00 C ATOM 468 OG1 THR A 32 94.838 2.025 12.204 1.00 0.00 O ATOM 469 CG2 THR A 32 94.756 0.373 10.458 1.00 0.00 C ATOM 0 H THR A 32 92.774 3.532 12.283 1.00 0.00 H new ATOM 0 HA THR A 32 92.601 1.565 10.009 1.00 0.00 H new ATOM 0 HB THR A 32 93.683 0.303 12.317 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.644 1.583 12.543 1.00 0.00 H new ATOM 0 HG21 THR A 32 95.641 -0.120 10.861 1.00 0.00 H new ATOM 0 HG22 THR A 32 94.113 -0.367 9.983 1.00 0.00 H new ATOM 0 HG23 THR A 32 95.059 1.117 9.721 1.00 0.00 H new ATOM 477 N LEU A 33 90.682 0.465 11.203 1.00 0.00 N ATOM 478 CA LEU A 33 89.450 -0.064 11.857 1.00 0.00 C ATOM 479 C LEU A 33 89.602 -1.570 12.050 1.00 0.00 C ATOM 480 O LEU A 33 89.619 -2.324 11.103 1.00 0.00 O ATOM 481 CB LEU A 33 88.251 0.212 10.934 1.00 0.00 C ATOM 482 CG LEU A 33 87.666 1.617 11.177 1.00 0.00 C ATOM 483 CD1 LEU A 33 86.840 1.652 12.473 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.793 2.652 11.258 1.00 0.00 C ATOM 0 H LEU A 33 90.836 0.130 10.252 1.00 0.00 H new ATOM 0 HA LEU A 33 89.295 0.416 12.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 88.562 0.121 9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 33 87.479 -0.539 11.103 1.00 0.00 H new ATOM 0 HG LEU A 33 87.011 1.859 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 33 86.438 2.654 12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 33 86.019 0.939 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 33 87.476 1.387 13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.367 3.641 11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 33 89.463 2.397 12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 33 89.352 2.655 10.322 1.00 0.00 H new ATOM 496 N ARG A 34 89.687 -2.008 13.270 1.00 0.00 N ATOM 497 CA ARG A 34 89.820 -3.461 13.538 1.00 0.00 C ATOM 498 C ARG A 34 88.595 -4.160 12.968 1.00 0.00 C ATOM 499 O ARG A 34 87.522 -4.120 13.537 1.00 0.00 O ATOM 500 CB ARG A 34 89.888 -3.697 15.047 1.00 0.00 C ATOM 501 CG ARG A 34 90.217 -5.170 15.324 1.00 0.00 C ATOM 502 CD ARG A 34 91.659 -5.491 14.903 1.00 0.00 C ATOM 503 NE ARG A 34 92.180 -6.609 15.738 1.00 0.00 N ATOM 504 CZ ARG A 34 93.466 -6.821 15.818 1.00 0.00 C ATOM 505 NH1 ARG A 34 93.920 -7.810 16.538 1.00 0.00 N ATOM 506 NH2 ARG A 34 94.297 -6.043 15.179 1.00 0.00 N ATOM 0 H ARG A 34 89.670 -1.416 14.100 1.00 0.00 H new ATOM 0 HA ARG A 34 90.728 -3.851 13.077 1.00 0.00 H new ATOM 0 HB2 ARG A 34 90.648 -3.054 15.492 1.00 0.00 H new ATOM 0 HB3 ARG A 34 88.937 -3.433 15.510 1.00 0.00 H new ATOM 0 HG2 ARG A 34 90.086 -5.384 16.385 1.00 0.00 H new ATOM 0 HG3 ARG A 34 89.523 -5.811 14.781 1.00 0.00 H new ATOM 0 HD2 ARG A 34 91.689 -5.765 13.848 1.00 0.00 H new ATOM 0 HD3 ARG A 34 92.289 -4.610 15.021 1.00 0.00 H new ATOM 0 HE ARG A 34 91.532 -7.209 16.248 1.00 0.00 H new ATOM 0 HH11 ARG A 34 93.270 -8.417 17.038 1.00 0.00 H new ATOM 0 HH12 ARG A 34 94.924 -7.976 16.601 1.00 0.00 H new ATOM 0 HH21 ARG A 34 93.942 -5.269 14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 34 95.301 -6.209 15.242 1.00 0.00 H new ATOM 520 N VAL A 35 88.748 -4.777 11.828 1.00 0.00 N ATOM 521 CA VAL A 35 87.600 -5.465 11.171 1.00 0.00 C ATOM 522 C VAL A 35 88.007 -6.859 10.722 1.00 0.00 C ATOM 523 O VAL A 35 89.102 -7.321 10.974 1.00 0.00 O ATOM 524 CB VAL A 35 87.177 -4.665 9.942 1.00 0.00 C ATOM 525 CG1 VAL A 35 86.612 -3.318 10.384 1.00 0.00 C ATOM 526 CG2 VAL A 35 88.385 -4.437 9.027 1.00 0.00 C ATOM 0 H VAL A 35 89.630 -4.834 11.318 1.00 0.00 H new ATOM 0 HA VAL A 35 86.779 -5.539 11.884 1.00 0.00 H new ATOM 0 HB VAL A 35 86.415 -5.221 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 86.309 -2.745 9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 35 85.748 -3.480 11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 35 87.375 -2.766 10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 35 88.076 -3.865 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 35 89.153 -3.884 9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 35 88.787 -5.399 8.709 1.00 0.00 H new ATOM 536 N THR A 36 87.119 -7.524 10.041 1.00 0.00 N ATOM 537 CA THR A 36 87.403 -8.889 9.535 1.00 0.00 C ATOM 538 C THR A 36 86.788 -9.008 8.147 1.00 0.00 C ATOM 539 O THR A 36 86.110 -8.115 7.681 1.00 0.00 O ATOM 540 CB THR A 36 86.758 -9.925 10.463 1.00 0.00 C ATOM 541 OG1 THR A 36 85.442 -9.511 10.784 1.00 0.00 O ATOM 542 CG2 THR A 36 87.565 -10.063 11.751 1.00 0.00 C ATOM 0 H THR A 36 86.191 -7.170 9.810 1.00 0.00 H new ATOM 0 HA THR A 36 88.478 -9.065 9.498 1.00 0.00 H new ATOM 0 HB THR A 36 86.736 -10.888 9.953 1.00 0.00 H new ATOM 0 HG1 THR A 36 85.084 -10.082 11.496 1.00 0.00 H new ATOM 0 HG21 THR A 36 87.093 -10.802 12.398 1.00 0.00 H new ATOM 0 HG22 THR A 36 88.579 -10.384 11.512 1.00 0.00 H new ATOM 0 HG23 THR A 36 87.600 -9.102 12.263 1.00 0.00 H new ATOM 550 N GLY A 37 86.997 -10.099 7.487 1.00 0.00 N ATOM 551 CA GLY A 37 86.403 -10.269 6.144 1.00 0.00 C ATOM 552 C GLY A 37 84.937 -10.639 6.318 1.00 0.00 C ATOM 553 O GLY A 37 84.436 -11.582 5.740 1.00 0.00 O ATOM 0 H GLY A 37 87.556 -10.885 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 37 86.497 -9.349 5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.929 -11.047 5.591 1.00 0.00 H new ATOM 557 N GLU A 38 84.244 -9.895 7.132 1.00 0.00 N ATOM 558 CA GLU A 38 82.807 -10.176 7.369 1.00 0.00 C ATOM 559 C GLU A 38 82.068 -8.851 7.585 1.00 0.00 C ATOM 560 O GLU A 38 80.863 -8.820 7.733 1.00 0.00 O ATOM 561 CB GLU A 38 82.660 -11.070 8.609 1.00 0.00 C ATOM 562 CG GLU A 38 82.758 -10.237 9.906 1.00 0.00 C ATOM 563 CD GLU A 38 81.367 -9.745 10.322 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.477 -10.572 10.434 1.00 0.00 O ATOM 565 OE2 GLU A 38 81.216 -8.551 10.519 1.00 0.00 O ATOM 0 H GLU A 38 84.617 -9.098 7.647 1.00 0.00 H new ATOM 0 HA GLU A 38 82.380 -10.691 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.702 -11.588 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.436 -11.835 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.192 -10.840 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.422 -9.387 9.752 1.00 0.00 H new ATOM 572 N VAL A 39 82.786 -7.752 7.624 1.00 0.00 N ATOM 573 CA VAL A 39 82.122 -6.442 7.851 1.00 0.00 C ATOM 574 C VAL A 39 81.661 -5.841 6.526 1.00 0.00 C ATOM 575 O VAL A 39 82.258 -6.044 5.494 1.00 0.00 O ATOM 576 CB VAL A 39 83.088 -5.484 8.571 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.942 -6.289 9.550 1.00 0.00 C ATOM 578 CG2 VAL A 39 84.000 -4.750 7.566 1.00 0.00 C ATOM 0 H VAL A 39 83.799 -7.713 7.508 1.00 0.00 H new ATOM 0 HA VAL A 39 81.245 -6.595 8.479 1.00 0.00 H new ATOM 0 HB VAL A 39 82.506 -4.733 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 39 84.631 -5.621 10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 39 83.296 -6.778 10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 39 84.509 -7.043 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.671 -4.081 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 39 84.587 -5.479 7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 39 83.388 -4.171 6.875 1.00 0.00 H new ATOM 588 N HIS A 40 80.614 -5.078 6.557 1.00 0.00 N ATOM 589 CA HIS A 40 80.123 -4.430 5.305 1.00 0.00 C ATOM 590 C HIS A 40 80.816 -3.069 5.186 1.00 0.00 C ATOM 591 O HIS A 40 80.971 -2.361 6.160 1.00 0.00 O ATOM 592 CB HIS A 40 78.579 -4.257 5.359 1.00 0.00 C ATOM 593 CG HIS A 40 78.068 -4.560 6.744 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.689 -3.563 7.629 1.00 0.00 N ATOM 595 CD2 HIS A 40 77.868 -5.746 7.408 1.00 0.00 C ATOM 596 CE1 HIS A 40 77.286 -4.162 8.765 1.00 0.00 C ATOM 597 NE2 HIS A 40 77.375 -5.492 8.684 1.00 0.00 N ATOM 0 H HIS A 40 80.070 -4.870 7.395 1.00 0.00 H new ATOM 0 HA HIS A 40 80.354 -5.047 4.437 1.00 0.00 H new ATOM 0 HB2 HIS A 40 78.310 -3.238 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 40 78.106 -4.921 4.636 1.00 0.00 H new ATOM 0 HD2 HIS A 40 78.064 -6.727 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.933 -3.631 9.637 1.00 0.00 H new ATOM 0 HE2 HIS A 40 77.134 -6.174 9.403 1.00 0.00 H new ATOM 605 N ILE A 41 81.239 -2.694 4.009 1.00 0.00 N ATOM 606 CA ILE A 41 81.919 -1.373 3.858 1.00 0.00 C ATOM 607 C ILE A 41 81.050 -0.306 4.506 1.00 0.00 C ATOM 608 O ILE A 41 81.503 0.507 5.286 1.00 0.00 O ATOM 609 CB ILE A 41 82.074 -1.011 2.385 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.719 -2.160 1.608 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.959 0.227 2.260 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.542 -1.920 0.103 1.00 0.00 C ATOM 0 H ILE A 41 81.145 -3.239 3.152 1.00 0.00 H new ATOM 0 HA ILE A 41 82.902 -1.431 4.325 1.00 0.00 H new ATOM 0 HB ILE A 41 81.085 -0.816 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.779 -2.230 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 41 82.262 -3.108 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 41 83.072 0.489 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.499 1.059 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.939 0.019 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 83.001 -2.738 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.479 -1.871 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 41 83.020 -0.980 -0.174 1.00 0.00 H new ATOM 624 N GLY A 42 79.794 -0.315 4.172 1.00 0.00 N ATOM 625 CA GLY A 42 78.862 0.682 4.742 1.00 0.00 C ATOM 626 C GLY A 42 78.977 0.631 6.257 1.00 0.00 C ATOM 627 O GLY A 42 78.532 1.512 6.968 1.00 0.00 O ATOM 0 H GLY A 42 79.372 -0.978 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.103 1.680 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.840 0.467 4.431 1.00 0.00 H new ATOM 631 N GLY A 43 79.601 -0.398 6.748 1.00 0.00 N ATOM 632 CA GLY A 43 79.784 -0.533 8.212 1.00 0.00 C ATOM 633 C GLY A 43 80.950 0.353 8.628 1.00 0.00 C ATOM 634 O GLY A 43 80.926 0.999 9.654 1.00 0.00 O ATOM 0 H GLY A 43 79.995 -1.157 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.876 -0.238 8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.982 -1.572 8.476 1.00 0.00 H new ATOM 638 N VAL A 44 81.965 0.401 7.814 1.00 0.00 N ATOM 639 CA VAL A 44 83.139 1.254 8.126 1.00 0.00 C ATOM 640 C VAL A 44 82.682 2.717 8.091 1.00 0.00 C ATOM 641 O VAL A 44 83.016 3.494 8.963 1.00 0.00 O ATOM 642 CB VAL A 44 84.253 0.967 7.088 1.00 0.00 C ATOM 643 CG1 VAL A 44 85.074 2.228 6.788 1.00 0.00 C ATOM 644 CG2 VAL A 44 85.193 -0.112 7.632 1.00 0.00 C ATOM 0 H VAL A 44 82.031 -0.119 6.939 1.00 0.00 H new ATOM 0 HA VAL A 44 83.544 1.041 9.115 1.00 0.00 H new ATOM 0 HB VAL A 44 83.776 0.632 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.847 1.993 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.419 3.002 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.540 2.586 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.977 -0.314 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 44 85.644 0.234 8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 44 84.628 -1.025 7.820 1.00 0.00 H new ATOM 654 N MET A 45 81.893 3.098 7.114 1.00 0.00 N ATOM 655 CA MET A 45 81.403 4.509 7.080 1.00 0.00 C ATOM 656 C MET A 45 80.815 4.819 8.453 1.00 0.00 C ATOM 657 O MET A 45 80.875 5.930 8.943 1.00 0.00 O ATOM 658 CB MET A 45 80.294 4.671 6.031 1.00 0.00 C ATOM 659 CG MET A 45 80.814 4.344 4.625 1.00 0.00 C ATOM 660 SD MET A 45 79.792 5.202 3.391 1.00 0.00 S ATOM 661 CE MET A 45 78.357 4.089 3.401 1.00 0.00 C ATOM 0 H MET A 45 81.572 2.502 6.351 1.00 0.00 H new ATOM 0 HA MET A 45 82.225 5.179 6.828 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.459 4.015 6.275 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.914 5.692 6.053 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.855 4.652 4.529 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.783 3.268 4.455 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.482 4.620 3.027 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.559 3.229 2.763 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.168 3.749 4.419 1.00 0.00 H new ATOM 671 N LEU A 46 80.246 3.820 9.071 1.00 0.00 N ATOM 672 CA LEU A 46 79.640 4.011 10.417 1.00 0.00 C ATOM 673 C LEU A 46 80.744 4.039 11.491 1.00 0.00 C ATOM 674 O LEU A 46 80.940 5.029 12.167 1.00 0.00 O ATOM 675 CB LEU A 46 78.672 2.846 10.699 1.00 0.00 C ATOM 676 CG LEU A 46 77.586 3.286 11.709 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.407 3.930 10.967 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.080 2.068 12.491 1.00 0.00 C ATOM 0 H LEU A 46 80.175 2.874 8.697 1.00 0.00 H new ATOM 0 HA LEU A 46 79.099 4.957 10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 46 78.204 2.519 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 46 79.223 1.993 11.095 1.00 0.00 H new ATOM 0 HG LEU A 46 78.021 4.010 12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.648 4.236 11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.757 4.802 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.978 3.209 10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.315 2.383 13.201 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.655 1.342 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.910 1.612 13.031 1.00 0.00 H new ATOM 690 N LYS A 47 81.450 2.948 11.664 1.00 0.00 N ATOM 691 CA LYS A 47 82.524 2.896 12.708 1.00 0.00 C ATOM 692 C LYS A 47 83.482 4.081 12.564 1.00 0.00 C ATOM 693 O LYS A 47 83.655 4.859 13.479 1.00 0.00 O ATOM 694 CB LYS A 47 83.331 1.603 12.562 1.00 0.00 C ATOM 695 CG LYS A 47 82.393 0.396 12.571 1.00 0.00 C ATOM 696 CD LYS A 47 83.201 -0.877 12.294 1.00 0.00 C ATOM 697 CE LYS A 47 82.256 -2.026 11.940 1.00 0.00 C ATOM 698 NZ LYS A 47 81.436 -2.381 13.134 1.00 0.00 N ATOM 0 H LYS A 47 81.329 2.089 11.127 1.00 0.00 H new ATOM 0 HA LYS A 47 82.043 2.935 13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.901 1.624 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 47 84.051 1.520 13.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.891 0.319 13.535 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.617 0.519 11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.900 -0.704 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.795 -1.139 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 47 81.607 -1.736 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.828 -2.892 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.893 -3.246 12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 82.061 -2.543 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.781 -1.602 13.349 1.00 0.00 H new ATOM 712 N LEU A 48 84.125 4.214 11.431 1.00 0.00 N ATOM 713 CA LEU A 48 85.091 5.344 11.244 1.00 0.00 C ATOM 714 C LEU A 48 84.453 6.632 11.777 1.00 0.00 C ATOM 715 O LEU A 48 84.993 7.308 12.630 1.00 0.00 O ATOM 716 CB LEU A 48 85.412 5.483 9.730 1.00 0.00 C ATOM 717 CG LEU A 48 86.943 5.717 9.468 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.468 4.698 8.454 1.00 0.00 C ATOM 719 CD2 LEU A 48 87.190 7.117 8.899 1.00 0.00 C ATOM 0 H LEU A 48 84.025 3.592 10.629 1.00 0.00 H new ATOM 0 HA LEU A 48 86.016 5.154 11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.089 4.583 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.843 6.314 9.314 1.00 0.00 H new ATOM 0 HG LEU A 48 87.460 5.608 10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.530 4.871 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.323 3.690 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 48 86.925 4.806 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 48 88.257 7.256 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.652 7.227 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 48 86.837 7.866 9.608 1.00 0.00 H new ATOM 731 N VAL A 49 83.300 6.951 11.281 1.00 0.00 N ATOM 732 CA VAL A 49 82.587 8.173 11.746 1.00 0.00 C ATOM 733 C VAL A 49 82.385 8.104 13.270 1.00 0.00 C ATOM 734 O VAL A 49 82.716 9.026 13.989 1.00 0.00 O ATOM 735 CB VAL A 49 81.228 8.230 11.031 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.258 9.161 11.756 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.426 8.732 9.598 1.00 0.00 C ATOM 0 H VAL A 49 82.811 6.414 10.565 1.00 0.00 H new ATOM 0 HA VAL A 49 83.167 9.067 11.516 1.00 0.00 H new ATOM 0 HB VAL A 49 80.805 7.225 11.026 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.306 9.179 11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.100 8.801 12.773 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.675 10.168 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.462 8.773 9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.867 9.728 9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.090 8.053 9.063 1.00 0.00 H new ATOM 747 N GLU A 50 81.825 7.027 13.762 1.00 0.00 N ATOM 748 CA GLU A 50 81.581 6.908 15.234 1.00 0.00 C ATOM 749 C GLU A 50 82.813 7.374 16.012 1.00 0.00 C ATOM 750 O GLU A 50 82.706 8.029 17.030 1.00 0.00 O ATOM 751 CB GLU A 50 81.284 5.445 15.599 1.00 0.00 C ATOM 752 CG GLU A 50 79.858 5.076 15.184 1.00 0.00 C ATOM 753 CD GLU A 50 78.854 5.825 16.063 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.989 6.485 15.510 1.00 0.00 O ATOM 755 OE2 GLU A 50 78.967 5.727 17.274 1.00 0.00 O ATOM 0 H GLU A 50 81.526 6.224 13.208 1.00 0.00 H new ATOM 0 HA GLU A 50 80.727 7.533 15.495 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.997 4.787 15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 50 81.408 5.298 16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.697 5.328 14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.708 4.001 15.280 1.00 0.00 H new ATOM 762 N LYS A 51 83.979 7.031 15.551 1.00 0.00 N ATOM 763 CA LYS A 51 85.212 7.440 16.275 1.00 0.00 C ATOM 764 C LYS A 51 85.448 8.946 16.112 1.00 0.00 C ATOM 765 O LYS A 51 86.038 9.585 16.960 1.00 0.00 O ATOM 766 CB LYS A 51 86.391 6.658 15.716 1.00 0.00 C ATOM 767 CG LYS A 51 86.089 5.167 15.861 1.00 0.00 C ATOM 768 CD LYS A 51 87.357 4.339 15.649 1.00 0.00 C ATOM 769 CE LYS A 51 88.102 4.801 14.393 1.00 0.00 C ATOM 770 NZ LYS A 51 88.886 6.030 14.701 1.00 0.00 N ATOM 0 H LYS A 51 84.133 6.485 14.704 1.00 0.00 H new ATOM 0 HA LYS A 51 85.101 7.226 17.338 1.00 0.00 H new ATOM 0 HB2 LYS A 51 86.553 6.913 14.669 1.00 0.00 H new ATOM 0 HB3 LYS A 51 87.305 6.914 16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.679 4.968 16.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 85.330 4.872 15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 51 88.008 4.432 16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.097 3.284 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 51 88.767 4.012 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 51 87.393 5.002 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 88.410 6.858 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.956 6.148 15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 89.840 5.943 14.297 1.00 0.00 H new ATOM 784 N LEU A 52 84.989 9.518 15.032 1.00 0.00 N ATOM 785 CA LEU A 52 85.179 10.973 14.814 1.00 0.00 C ATOM 786 C LEU A 52 84.387 11.744 15.873 1.00 0.00 C ATOM 787 O LEU A 52 84.931 12.505 16.645 1.00 0.00 O ATOM 788 CB LEU A 52 84.672 11.313 13.400 1.00 0.00 C ATOM 789 CG LEU A 52 85.503 12.447 12.790 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.958 11.985 12.544 1.00 0.00 C ATOM 791 CD2 LEU A 52 84.856 12.890 11.467 1.00 0.00 C ATOM 0 H LEU A 52 84.487 9.033 14.288 1.00 0.00 H new ATOM 0 HA LEU A 52 86.230 11.249 14.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.730 10.429 12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.623 11.606 13.444 1.00 0.00 H new ATOM 0 HG LEU A 52 85.528 13.286 13.485 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.532 12.804 12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.410 11.686 13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.960 11.138 11.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 85.442 13.697 11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 84.825 12.047 10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 52 83.842 13.241 11.658 1.00 0.00 H new ATOM 803 N ASP A 53 83.107 11.523 15.908 1.00 0.00 N ATOM 804 CA ASP A 53 82.226 12.190 16.906 1.00 0.00 C ATOM 805 C ASP A 53 82.112 13.677 16.613 1.00 0.00 C ATOM 806 O ASP A 53 82.649 14.510 17.315 1.00 0.00 O ATOM 807 CB ASP A 53 82.799 11.964 18.297 1.00 0.00 C ATOM 808 CG ASP A 53 81.697 12.094 19.355 1.00 0.00 C ATOM 809 OD1 ASP A 53 81.812 11.448 20.384 1.00 0.00 O ATOM 810 OD2 ASP A 53 80.760 12.838 19.117 1.00 0.00 O ATOM 0 H ASP A 53 82.620 10.892 15.271 1.00 0.00 H new ATOM 0 HA ASP A 53 81.225 11.762 16.848 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.252 10.974 18.354 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.589 12.689 18.494 1.00 0.00 H new ATOM 815 N VAL A 54 81.408 13.996 15.576 1.00 0.00 N ATOM 816 CA VAL A 54 81.228 15.417 15.187 1.00 0.00 C ATOM 817 C VAL A 54 80.258 15.498 14.001 1.00 0.00 C ATOM 818 O VAL A 54 80.316 14.704 13.084 1.00 0.00 O ATOM 819 CB VAL A 54 82.593 15.980 14.797 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.248 15.049 13.777 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.434 17.387 14.208 1.00 0.00 C ATOM 0 H VAL A 54 80.940 13.323 14.968 1.00 0.00 H new ATOM 0 HA VAL A 54 80.815 15.995 16.014 1.00 0.00 H new ATOM 0 HB VAL A 54 83.226 16.047 15.682 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.223 15.446 13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.373 14.059 14.216 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.616 14.977 12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.413 17.779 13.933 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.800 17.341 13.323 1.00 0.00 H new ATOM 0 HG23 VAL A 54 81.976 18.042 14.949 1.00 0.00 H new ATOM 831 N LYS A 55 79.366 16.454 14.012 1.00 0.00 N ATOM 832 CA LYS A 55 78.391 16.590 12.887 1.00 0.00 C ATOM 833 C LYS A 55 79.136 16.988 11.603 1.00 0.00 C ATOM 834 O LYS A 55 78.623 17.722 10.783 1.00 0.00 O ATOM 835 CB LYS A 55 77.357 17.668 13.254 1.00 0.00 C ATOM 836 CG LYS A 55 75.998 17.391 12.582 1.00 0.00 C ATOM 837 CD LYS A 55 75.381 16.063 13.091 1.00 0.00 C ATOM 838 CE LYS A 55 73.855 16.193 13.212 1.00 0.00 C ATOM 839 NZ LYS A 55 73.230 14.845 13.092 1.00 0.00 N ATOM 0 H LYS A 55 79.270 17.148 14.753 1.00 0.00 H new ATOM 0 HA LYS A 55 77.883 15.641 12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.230 17.700 14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.724 18.647 12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.314 18.215 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.127 17.344 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.630 15.253 12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.808 15.804 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.593 16.643 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.473 16.853 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.596 14.829 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.973 14.127 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 72.685 14.637 13.953 1.00 0.00 H new ATOM 853 N LYS A 56 80.342 16.512 11.422 1.00 0.00 N ATOM 854 CA LYS A 56 81.103 16.872 10.192 1.00 0.00 C ATOM 855 C LYS A 56 80.592 16.042 9.016 1.00 0.00 C ATOM 856 O LYS A 56 79.846 15.099 9.185 1.00 0.00 O ATOM 857 CB LYS A 56 82.596 16.581 10.398 1.00 0.00 C ATOM 858 CG LYS A 56 83.379 16.960 9.125 1.00 0.00 C ATOM 859 CD LYS A 56 84.848 17.264 9.467 1.00 0.00 C ATOM 860 CE LYS A 56 85.560 15.993 9.939 1.00 0.00 C ATOM 861 NZ LYS A 56 85.239 15.748 11.374 1.00 0.00 N ATOM 0 H LYS A 56 80.829 15.893 12.070 1.00 0.00 H new ATOM 0 HA LYS A 56 80.964 17.933 9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.973 17.147 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.743 15.525 10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.329 16.144 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 56 82.921 17.830 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.356 17.669 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 56 84.897 18.026 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.246 15.142 9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.637 16.097 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.036 15.260 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.070 16.656 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.386 15.157 11.443 1.00 0.00 H new ATOM 875 N ASP A 57 80.991 16.387 7.825 1.00 0.00 N ATOM 876 CA ASP A 57 80.535 15.624 6.635 1.00 0.00 C ATOM 877 C ASP A 57 80.760 14.130 6.871 1.00 0.00 C ATOM 878 O ASP A 57 81.878 13.653 6.882 1.00 0.00 O ATOM 879 CB ASP A 57 81.333 16.083 5.414 1.00 0.00 C ATOM 880 CG ASP A 57 82.788 16.326 5.819 1.00 0.00 C ATOM 881 OD1 ASP A 57 83.148 17.478 5.998 1.00 0.00 O ATOM 882 OD2 ASP A 57 83.518 15.356 5.945 1.00 0.00 O ATOM 0 H ASP A 57 81.616 17.168 7.625 1.00 0.00 H new ATOM 0 HA ASP A 57 79.473 15.801 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 57 81.284 15.328 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.900 16.996 5.006 1.00 0.00 H new ATOM 887 N TRP A 58 79.701 13.390 7.051 1.00 0.00 N ATOM 888 CA TRP A 58 79.823 11.924 7.280 1.00 0.00 C ATOM 889 C TRP A 58 79.438 11.193 5.990 1.00 0.00 C ATOM 890 O TRP A 58 80.268 10.921 5.154 1.00 0.00 O ATOM 891 CB TRP A 58 78.862 11.511 8.401 1.00 0.00 C ATOM 892 CG TRP A 58 79.338 11.972 9.750 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.464 12.686 10.011 1.00 0.00 C ATOM 894 CD2 TRP A 58 78.687 11.759 11.037 1.00 0.00 C ATOM 895 NE1 TRP A 58 80.547 12.900 11.376 1.00 0.00 N ATOM 896 CE2 TRP A 58 79.471 12.351 12.050 1.00 0.00 C ATOM 897 CE3 TRP A 58 77.501 11.103 11.418 1.00 0.00 C ATOM 898 CZ2 TRP A 58 79.088 12.294 13.394 1.00 0.00 C ATOM 899 CZ3 TRP A 58 77.116 11.046 12.765 1.00 0.00 C ATOM 900 CH2 TRP A 58 77.908 11.641 13.750 1.00 0.00 C ATOM 0 H TRP A 58 78.744 13.744 7.049 1.00 0.00 H new ATOM 0 HA TRP A 58 80.845 11.671 7.562 1.00 0.00 H new ATOM 0 HB2 TRP A 58 77.874 11.928 8.203 1.00 0.00 H new ATOM 0 HB3 TRP A 58 78.755 10.426 8.406 1.00 0.00 H new ATOM 0 HD1 TRP A 58 81.176 13.030 9.275 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.310 13.402 11.830 1.00 0.00 H new ATOM 0 HE3 TRP A 58 76.881 10.639 10.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 79.703 12.754 14.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 76.203 10.540 13.042 1.00 0.00 H new ATOM 0 HH2 TRP A 58 77.607 11.595 14.786 1.00 0.00 H new ATOM 911 N SER A 59 78.183 10.876 5.824 1.00 0.00 N ATOM 912 CA SER A 59 77.738 10.153 4.588 1.00 0.00 C ATOM 913 C SER A 59 78.395 10.757 3.350 1.00 0.00 C ATOM 914 O SER A 59 78.920 10.049 2.512 1.00 0.00 O ATOM 915 CB SER A 59 76.227 10.269 4.442 1.00 0.00 C ATOM 916 OG SER A 59 75.759 9.240 3.579 1.00 0.00 O ATOM 0 H SER A 59 77.440 11.085 6.491 1.00 0.00 H new ATOM 0 HA SER A 59 78.029 9.106 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 59 75.748 10.187 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 59 75.963 11.246 4.038 1.00 0.00 H new ATOM 0 HG SER A 59 75.907 8.368 4.000 1.00 0.00 H new ATOM 922 N ASP A 60 78.361 12.060 3.224 1.00 0.00 N ATOM 923 CA ASP A 60 78.979 12.723 2.037 1.00 0.00 C ATOM 924 C ASP A 60 80.338 12.081 1.759 1.00 0.00 C ATOM 925 O ASP A 60 80.877 12.175 0.674 1.00 0.00 O ATOM 926 CB ASP A 60 79.156 14.217 2.330 1.00 0.00 C ATOM 927 CG ASP A 60 80.000 14.869 1.232 1.00 0.00 C ATOM 928 OD1 ASP A 60 79.824 14.504 0.081 1.00 0.00 O ATOM 929 OD2 ASP A 60 80.807 15.723 1.561 1.00 0.00 O ATOM 0 H ASP A 60 77.930 12.695 3.896 1.00 0.00 H new ATOM 0 HA ASP A 60 78.338 12.603 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 60 78.182 14.703 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 60 79.638 14.352 3.299 1.00 0.00 H new ATOM 934 N HIS A 61 80.886 11.418 2.741 1.00 0.00 N ATOM 935 CA HIS A 61 82.198 10.752 2.564 1.00 0.00 C ATOM 936 C HIS A 61 81.992 9.335 2.031 1.00 0.00 C ATOM 937 O HIS A 61 80.903 8.797 2.036 1.00 0.00 O ATOM 938 CB HIS A 61 82.937 10.716 3.926 1.00 0.00 C ATOM 939 CG HIS A 61 82.692 9.404 4.650 1.00 0.00 C ATOM 940 ND1 HIS A 61 81.840 9.301 5.739 1.00 0.00 N ATOM 941 CD2 HIS A 61 83.174 8.133 4.435 1.00 0.00 C ATOM 942 CE1 HIS A 61 81.830 8.015 6.131 1.00 0.00 C ATOM 943 NE2 HIS A 61 82.627 7.259 5.371 1.00 0.00 N ATOM 0 H HIS A 61 80.472 11.311 3.667 1.00 0.00 H new ATOM 0 HA HIS A 61 82.800 11.307 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 61 84.007 10.852 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 61 82.600 11.546 4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 61 81.315 10.064 6.166 1.00 0.00 H new ATOM 0 HD2 HIS A 61 83.871 7.855 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 61 81.248 7.639 6.960 1.00 0.00 H new ATOM 951 N ALA A 62 83.053 8.733 1.596 1.00 0.00 N ATOM 952 CA ALA A 62 82.983 7.342 1.082 1.00 0.00 C ATOM 953 C ALA A 62 84.414 6.843 0.901 1.00 0.00 C ATOM 954 O ALA A 62 85.321 7.625 0.697 1.00 0.00 O ATOM 955 CB ALA A 62 82.234 7.317 -0.253 1.00 0.00 C ATOM 0 H ALA A 62 83.983 9.151 1.573 1.00 0.00 H new ATOM 0 HA ALA A 62 82.446 6.699 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.186 6.293 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.223 7.699 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 62 82.759 7.941 -0.976 1.00 0.00 H new ATOM 961 N LEU A 63 84.639 5.558 0.981 1.00 0.00 N ATOM 962 CA LEU A 63 86.034 5.044 0.818 1.00 0.00 C ATOM 963 C LEU A 63 86.259 4.650 -0.639 1.00 0.00 C ATOM 964 O LEU A 63 85.357 4.209 -1.324 1.00 0.00 O ATOM 965 CB LEU A 63 86.270 3.818 1.711 1.00 0.00 C ATOM 966 CG LEU A 63 85.738 4.057 3.131 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.285 5.382 3.670 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.188 4.069 3.155 1.00 0.00 C ATOM 0 H LEU A 63 83.927 4.848 1.150 1.00 0.00 H new ATOM 0 HA LEU A 63 86.730 5.830 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.778 2.948 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.336 3.594 1.752 1.00 0.00 H new ATOM 0 HG LEU A 63 86.076 3.239 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 63 85.906 5.549 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.374 5.343 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 63 85.965 6.198 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.841 4.240 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 63 83.820 4.865 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.811 3.110 2.800 1.00 0.00 H new ATOM 980 N TRP A 64 87.464 4.815 -1.116 1.00 0.00 N ATOM 981 CA TRP A 64 87.788 4.465 -2.536 1.00 0.00 C ATOM 982 C TRP A 64 89.091 3.656 -2.542 1.00 0.00 C ATOM 983 O TRP A 64 90.035 3.963 -1.834 1.00 0.00 O ATOM 984 CB TRP A 64 87.868 5.790 -3.362 1.00 0.00 C ATOM 985 CG TRP A 64 89.237 6.091 -3.922 1.00 0.00 C ATOM 986 CD1 TRP A 64 89.995 5.255 -4.674 1.00 0.00 C ATOM 987 CD2 TRP A 64 89.987 7.341 -3.834 1.00 0.00 C ATOM 988 NE1 TRP A 64 91.178 5.893 -4.998 1.00 0.00 N ATOM 989 CE2 TRP A 64 91.214 7.183 -4.519 1.00 0.00 C ATOM 990 CE3 TRP A 64 89.728 8.578 -3.218 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.150 8.215 -4.596 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.666 9.622 -3.295 1.00 0.00 C ATOM 993 CH2 TRP A 64 91.874 9.441 -3.983 1.00 0.00 C ATOM 0 H TRP A 64 88.249 5.182 -0.578 1.00 0.00 H new ATOM 0 HA TRP A 64 87.022 3.845 -3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 64 87.156 5.735 -4.185 1.00 0.00 H new ATOM 0 HB3 TRP A 64 87.558 6.620 -2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 64 89.719 4.254 -4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 64 91.934 5.460 -5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.802 8.727 -2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.080 8.068 -5.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.455 10.569 -2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.590 10.247 -4.039 1.00 0.00 H new ATOM 1004 N TRP A 65 89.130 2.606 -3.327 1.00 0.00 N ATOM 1005 CA TRP A 65 90.342 1.737 -3.392 1.00 0.00 C ATOM 1006 C TRP A 65 91.204 2.163 -4.587 1.00 0.00 C ATOM 1007 O TRP A 65 91.006 1.694 -5.685 1.00 0.00 O ATOM 1008 CB TRP A 65 89.871 0.287 -3.582 1.00 0.00 C ATOM 1009 CG TRP A 65 90.941 -0.699 -3.215 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.220 -0.406 -2.874 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.832 -2.154 -3.156 1.00 0.00 C ATOM 1012 NE1 TRP A 65 92.896 -1.586 -2.624 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.084 -2.687 -2.779 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.776 -3.052 -3.395 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.286 -4.061 -2.642 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 89.975 -4.435 -3.259 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.227 -4.939 -2.884 1.00 0.00 C ATOM 0 H TRP A 65 88.363 2.313 -3.932 1.00 0.00 H new ATOM 0 HA TRP A 65 90.933 1.826 -2.480 1.00 0.00 H new ATOM 0 HB2 TRP A 65 88.987 0.109 -2.970 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.576 0.134 -4.620 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.642 0.586 -2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.879 -1.635 -2.357 1.00 0.00 H new ATOM 0 HE3 TRP A 65 88.806 -2.675 -3.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.254 -4.442 -2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.157 -5.115 -3.445 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.373 -6.004 -2.782 1.00 0.00 H new ATOM 1028 N GLU A 66 92.142 3.060 -4.399 1.00 0.00 N ATOM 1029 CA GLU A 66 92.976 3.504 -5.559 1.00 0.00 C ATOM 1030 C GLU A 66 93.666 2.306 -6.200 1.00 0.00 C ATOM 1031 O GLU A 66 94.024 2.350 -7.358 1.00 0.00 O ATOM 1032 CB GLU A 66 94.025 4.523 -5.119 1.00 0.00 C ATOM 1033 CG GLU A 66 94.744 3.997 -3.895 1.00 0.00 C ATOM 1034 CD GLU A 66 95.847 4.973 -3.480 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.167 5.845 -4.270 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.354 4.829 -2.379 1.00 0.00 O ATOM 0 H GLU A 66 92.364 3.499 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 66 92.316 3.975 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 66 94.737 4.702 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 66 93.550 5.478 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.037 3.864 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.174 3.018 -4.107 1.00 0.00 H new ATOM 1043 N LYS A 67 93.838 1.215 -5.498 1.00 0.00 N ATOM 1044 CA LYS A 67 94.470 0.052 -6.168 1.00 0.00 C ATOM 1045 C LYS A 67 93.522 -0.323 -7.300 1.00 0.00 C ATOM 1046 O LYS A 67 93.838 -1.080 -8.197 1.00 0.00 O ATOM 1047 CB LYS A 67 94.583 -1.153 -5.238 1.00 0.00 C ATOM 1048 CG LYS A 67 95.662 -0.966 -4.147 1.00 0.00 C ATOM 1049 CD LYS A 67 95.814 0.490 -3.706 1.00 0.00 C ATOM 1050 CE LYS A 67 96.775 0.556 -2.517 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.122 0.075 -2.936 1.00 0.00 N ATOM 0 H LYS A 67 93.576 1.085 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 67 95.476 0.312 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.619 -1.331 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 67 94.817 -2.040 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.407 -1.578 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 67 96.619 -1.329 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 67 96.193 1.095 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 67 94.844 0.902 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 67 96.842 1.579 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.398 -0.056 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.832 0.381 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.118 -0.963 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.358 0.471 -3.868 1.00 0.00 H new ATOM 1065 N LYS A 68 92.324 0.205 -7.208 1.00 0.00 N ATOM 1066 CA LYS A 68 91.253 -0.085 -8.203 1.00 0.00 C ATOM 1067 C LYS A 68 90.626 1.229 -8.688 1.00 0.00 C ATOM 1068 O LYS A 68 89.863 1.243 -9.633 1.00 0.00 O ATOM 1069 CB LYS A 68 90.149 -0.935 -7.530 1.00 0.00 C ATOM 1070 CG LYS A 68 90.741 -1.892 -6.480 1.00 0.00 C ATOM 1071 CD LYS A 68 91.382 -3.092 -7.180 1.00 0.00 C ATOM 1072 CE LYS A 68 92.178 -3.927 -6.166 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.172 -5.355 -6.593 1.00 0.00 N ATOM 0 H LYS A 68 92.041 0.841 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 68 91.686 -0.623 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 68 89.420 -0.278 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 68 89.616 -1.509 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.484 -1.371 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 68 89.959 -2.230 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 68 90.611 -3.707 -7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.040 -2.749 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.202 -3.560 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 68 91.739 -3.830 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.710 -5.924 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.192 -5.700 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.610 -5.438 -7.533 1.00 0.00 H new ATOM 1087 N ARG A 69 90.903 2.322 -8.023 1.00 0.00 N ATOM 1088 CA ARG A 69 90.282 3.617 -8.426 1.00 0.00 C ATOM 1089 C ARG A 69 88.773 3.404 -8.450 1.00 0.00 C ATOM 1090 O ARG A 69 88.092 3.773 -9.386 1.00 0.00 O ATOM 1091 CB ARG A 69 90.768 4.050 -9.822 1.00 0.00 C ATOM 1092 CG ARG A 69 92.216 4.582 -9.757 1.00 0.00 C ATOM 1093 CD ARG A 69 93.212 3.423 -9.876 1.00 0.00 C ATOM 1094 NE ARG A 69 93.384 3.057 -11.311 1.00 0.00 N ATOM 1095 CZ ARG A 69 94.029 1.968 -11.632 1.00 0.00 C ATOM 1096 NH1 ARG A 69 94.175 1.642 -12.887 1.00 0.00 N ATOM 1097 NH2 ARG A 69 94.527 1.205 -10.698 1.00 0.00 N ATOM 0 H ARG A 69 91.531 2.372 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 69 90.561 4.401 -7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 69 90.717 3.205 -10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 69 90.109 4.823 -10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 69 92.384 5.299 -10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.374 5.112 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.172 3.709 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 69 92.853 2.562 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 69 92.998 3.656 -12.041 1.00 0.00 H new ATOM 0 HH11 ARG A 69 93.785 2.238 -13.617 1.00 0.00 H new ATOM 0 HH12 ARG A 69 94.679 0.791 -13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 69 94.412 1.459 -9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 69 95.031 0.354 -10.949 1.00 0.00 H new ATOM 1111 N THR A 70 88.257 2.776 -7.421 1.00 0.00 N ATOM 1112 CA THR A 70 86.793 2.484 -7.352 1.00 0.00 C ATOM 1113 C THR A 70 86.155 3.260 -6.210 1.00 0.00 C ATOM 1114 O THR A 70 86.791 4.041 -5.548 1.00 0.00 O ATOM 1115 CB THR A 70 86.614 0.982 -7.092 1.00 0.00 C ATOM 1116 OG1 THR A 70 85.292 0.593 -7.437 1.00 0.00 O ATOM 1117 CG2 THR A 70 86.880 0.644 -5.615 1.00 0.00 C ATOM 0 H THR A 70 88.795 2.450 -6.618 1.00 0.00 H new ATOM 0 HA THR A 70 86.318 2.776 -8.288 1.00 0.00 H new ATOM 0 HB THR A 70 87.332 0.439 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.180 -0.366 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.747 -0.426 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.901 0.925 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.181 1.194 -4.984 1.00 0.00 H new ATOM 1125 N TRP A 71 84.907 2.990 -5.957 1.00 0.00 N ATOM 1126 CA TRP A 71 84.175 3.634 -4.836 1.00 0.00 C ATOM 1127 C TRP A 71 83.649 2.486 -3.989 1.00 0.00 C ATOM 1128 O TRP A 71 82.728 1.803 -4.347 1.00 0.00 O ATOM 1129 CB TRP A 71 83.024 4.505 -5.383 1.00 0.00 C ATOM 1130 CG TRP A 71 82.623 4.024 -6.744 1.00 0.00 C ATOM 1131 CD1 TRP A 71 82.029 2.840 -7.008 1.00 0.00 C ATOM 1132 CD2 TRP A 71 82.782 4.693 -8.029 1.00 0.00 C ATOM 1133 NE1 TRP A 71 81.816 2.735 -8.356 1.00 0.00 N ATOM 1134 CE2 TRP A 71 82.259 3.850 -9.038 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.321 5.934 -8.414 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.270 4.224 -10.382 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.334 6.313 -9.767 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.809 5.460 -10.748 1.00 0.00 C ATOM 0 H TRP A 71 84.349 2.330 -6.498 1.00 0.00 H new ATOM 0 HA TRP A 71 84.811 4.297 -4.250 1.00 0.00 H new ATOM 0 HB2 TRP A 71 82.170 4.462 -4.706 1.00 0.00 H new ATOM 0 HB3 TRP A 71 83.338 5.548 -5.434 1.00 0.00 H new ATOM 0 HD1 TRP A 71 81.764 2.095 -6.273 1.00 0.00 H new ATOM 0 HE1 TRP A 71 81.381 1.928 -8.804 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.727 6.599 -7.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 81.865 3.563 -11.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 83.751 7.267 -10.053 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.821 5.758 -11.786 1.00 0.00 H new ATOM 1149 N LEU A 72 84.269 2.219 -2.897 1.00 0.00 N ATOM 1150 CA LEU A 72 83.830 1.063 -2.089 1.00 0.00 C ATOM 1151 C LEU A 72 82.406 1.269 -1.587 1.00 0.00 C ATOM 1152 O LEU A 72 82.165 1.778 -0.513 1.00 0.00 O ATOM 1153 CB LEU A 72 84.797 0.877 -0.934 1.00 0.00 C ATOM 1154 CG LEU A 72 86.214 0.691 -1.502 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.235 0.920 -0.392 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.382 -0.727 -2.113 1.00 0.00 C ATOM 0 H LEU A 72 85.059 2.745 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 72 83.830 0.163 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.766 1.742 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.512 0.010 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 72 86.377 1.417 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.241 0.789 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.128 1.932 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.067 0.202 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.392 -0.835 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.212 -1.478 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.660 -0.864 -2.918 1.00 0.00 H new ATOM 1168 N LEU A 73 81.465 0.848 -2.384 1.00 0.00 N ATOM 1169 CA LEU A 73 80.016 0.953 -2.020 1.00 0.00 C ATOM 1170 C LEU A 73 79.405 -0.456 -2.014 1.00 0.00 C ATOM 1171 O LEU A 73 78.203 -0.620 -1.935 1.00 0.00 O ATOM 1172 CB LEU A 73 79.262 1.858 -3.023 1.00 0.00 C ATOM 1173 CG LEU A 73 79.561 1.465 -4.492 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.613 0.364 -4.984 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.390 2.692 -5.398 1.00 0.00 C ATOM 0 H LEU A 73 81.640 0.425 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 73 79.924 1.402 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.190 1.789 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.547 2.897 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 73 80.585 1.093 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 73 78.852 0.114 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.729 -0.522 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 73 77.583 0.717 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 73 79.601 2.414 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.367 3.060 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.081 3.475 -5.085 1.00 0.00 H new ATOM 1187 N LYS A 74 80.227 -1.480 -2.107 1.00 0.00 N ATOM 1188 CA LYS A 74 79.688 -2.878 -2.116 1.00 0.00 C ATOM 1189 C LYS A 74 79.179 -3.278 -0.719 1.00 0.00 C ATOM 1190 O LYS A 74 79.350 -4.407 -0.306 1.00 0.00 O ATOM 1191 CB LYS A 74 80.776 -3.900 -2.545 1.00 0.00 C ATOM 1192 CG LYS A 74 81.814 -3.269 -3.481 1.00 0.00 C ATOM 1193 CD LYS A 74 81.154 -2.842 -4.827 1.00 0.00 C ATOM 1194 CE LYS A 74 81.602 -1.431 -5.231 1.00 0.00 C ATOM 1195 NZ LYS A 74 82.899 -1.508 -5.961 1.00 0.00 N ATOM 0 H LYS A 74 81.242 -1.406 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 74 78.867 -2.895 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.276 -4.292 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.303 -4.746 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 74 82.265 -2.401 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 74 82.617 -3.980 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 74 81.422 -3.552 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.069 -2.870 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 74 80.845 -0.965 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.708 -0.805 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 83.201 -0.551 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 83.619 -1.936 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 82.783 -2.091 -6.814 1.00 0.00 H new ATOM 1209 N THR A 75 78.553 -2.397 0.013 1.00 0.00 N ATOM 1210 CA THR A 75 78.057 -2.810 1.361 1.00 0.00 C ATOM 1211 C THR A 75 77.150 -4.036 1.197 1.00 0.00 C ATOM 1212 O THR A 75 76.717 -4.634 2.161 1.00 0.00 O ATOM 1213 CB THR A 75 77.267 -1.665 2.031 1.00 0.00 C ATOM 1214 OG1 THR A 75 76.176 -2.208 2.763 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.729 -0.689 0.980 1.00 0.00 C ATOM 0 H THR A 75 78.365 -1.430 -0.253 1.00 0.00 H new ATOM 0 HA THR A 75 78.909 -3.052 1.996 1.00 0.00 H new ATOM 0 HB THR A 75 77.938 -1.127 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.717 -1.490 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.176 0.110 1.474 1.00 0.00 H new ATOM 0 HG22 THR A 75 77.561 -0.261 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 75 76.067 -1.220 0.296 1.00 0.00 H new ATOM 1223 N HIS A 76 76.859 -4.408 -0.021 1.00 0.00 N ATOM 1224 CA HIS A 76 75.979 -5.588 -0.259 1.00 0.00 C ATOM 1225 C HIS A 76 76.605 -6.843 0.359 1.00 0.00 C ATOM 1226 O HIS A 76 76.193 -7.298 1.407 1.00 0.00 O ATOM 1227 CB HIS A 76 75.801 -5.792 -1.765 1.00 0.00 C ATOM 1228 CG HIS A 76 74.684 -6.770 -2.010 1.00 0.00 C ATOM 1229 ND1 HIS A 76 73.398 -6.362 -2.328 1.00 0.00 N ATOM 1230 CD2 HIS A 76 74.646 -8.141 -1.983 1.00 0.00 C ATOM 1231 CE1 HIS A 76 72.647 -7.469 -2.477 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.359 -8.581 -2.278 1.00 0.00 N ATOM 0 H HIS A 76 77.195 -3.943 -0.865 1.00 0.00 H new ATOM 0 HA HIS A 76 75.008 -5.411 0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.578 -4.841 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 76 76.727 -6.163 -2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 76 75.488 -8.782 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 76 71.596 -7.459 -2.727 1.00 0.00 H new ATOM 0 HE2 HIS A 76 73.030 -9.545 -2.331 1.00 0.00 H new ATOM 1240 N TRP A 77 77.595 -7.409 -0.280 1.00 0.00 N ATOM 1241 CA TRP A 77 78.235 -8.639 0.283 1.00 0.00 C ATOM 1242 C TRP A 77 79.260 -8.245 1.342 1.00 0.00 C ATOM 1243 O TRP A 77 78.918 -7.653 2.347 1.00 0.00 O ATOM 1244 CB TRP A 77 78.938 -9.426 -0.815 1.00 0.00 C ATOM 1245 CG TRP A 77 77.961 -9.814 -1.867 1.00 0.00 C ATOM 1246 CD1 TRP A 77 77.767 -9.142 -3.018 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.049 -10.949 -1.892 1.00 0.00 C ATOM 1248 NE1 TRP A 77 76.799 -9.789 -3.753 1.00 0.00 N ATOM 1249 CE2 TRP A 77 76.322 -10.909 -3.102 1.00 0.00 C ATOM 1250 CE3 TRP A 77 76.785 -11.998 -0.993 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 75.365 -11.875 -3.414 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 75.822 -12.973 -1.302 1.00 0.00 C ATOM 1253 CH2 TRP A 77 75.113 -12.911 -2.510 1.00 0.00 C ATOM 0 H TRP A 77 77.987 -7.077 -1.161 1.00 0.00 H new ATOM 0 HA TRP A 77 77.457 -9.260 0.727 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.735 -8.825 -1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.405 -10.317 -0.394 1.00 0.00 H new ATOM 0 HD1 TRP A 77 78.286 -8.243 -3.316 1.00 0.00 H new ATOM 0 HE1 TRP A 77 76.474 -9.478 -4.668 1.00 0.00 H new ATOM 0 HE3 TRP A 77 77.326 -12.054 -0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 74.823 -11.823 -4.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 75.627 -13.775 -0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 77 74.373 -13.663 -2.742 1.00 0.00 H new ATOM 1264 N THR A 78 80.522 -8.570 1.151 1.00 0.00 N ATOM 1265 CA THR A 78 81.522 -8.196 2.191 1.00 0.00 C ATOM 1266 C THR A 78 82.902 -8.051 1.552 1.00 0.00 C ATOM 1267 O THR A 78 83.223 -8.698 0.586 1.00 0.00 O ATOM 1268 CB THR A 78 81.530 -9.295 3.289 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.492 -10.223 3.014 1.00 0.00 O ATOM 1270 CG2 THR A 78 81.303 -8.698 4.688 1.00 0.00 C ATOM 0 H THR A 78 80.890 -9.066 0.339 1.00 0.00 H new ATOM 0 HA THR A 78 81.259 -7.240 2.644 1.00 0.00 H new ATOM 0 HB THR A 78 82.505 -9.782 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.488 -10.923 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.315 -9.496 5.430 1.00 0.00 H new ATOM 0 HG22 THR A 78 82.095 -7.983 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.338 -8.191 4.715 1.00 0.00 H new ATOM 1278 N LEU A 79 83.726 -7.213 2.100 1.00 0.00 N ATOM 1279 CA LEU A 79 85.089 -7.034 1.537 1.00 0.00 C ATOM 1280 C LEU A 79 85.698 -8.393 1.200 1.00 0.00 C ATOM 1281 O LEU A 79 86.198 -8.610 0.115 1.00 0.00 O ATOM 1282 CB LEU A 79 85.941 -6.253 2.509 1.00 0.00 C ATOM 1283 CG LEU A 79 86.228 -7.004 3.800 1.00 0.00 C ATOM 1284 CD1 LEU A 79 87.129 -6.134 4.676 1.00 0.00 C ATOM 1285 CD2 LEU A 79 84.926 -7.292 4.572 1.00 0.00 C ATOM 0 H LEU A 79 83.516 -6.640 2.918 1.00 0.00 H new ATOM 0 HA LEU A 79 85.036 -6.463 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.885 -5.997 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.440 -5.315 2.747 1.00 0.00 H new ATOM 0 HG LEU A 79 86.708 -7.952 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 79 87.346 -6.657 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 88.061 -5.930 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.624 -5.194 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.159 -7.830 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 79 84.433 -6.351 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.264 -7.899 3.955 1.00 0.00 H new ATOM 1297 N ASP A 80 85.619 -9.318 2.101 1.00 0.00 N ATOM 1298 CA ASP A 80 86.141 -10.680 1.828 1.00 0.00 C ATOM 1299 C ASP A 80 85.645 -11.152 0.466 1.00 0.00 C ATOM 1300 O ASP A 80 86.321 -11.866 -0.247 1.00 0.00 O ATOM 1301 CB ASP A 80 85.576 -11.614 2.886 1.00 0.00 C ATOM 1302 CG ASP A 80 86.434 -12.878 2.991 1.00 0.00 C ATOM 1303 OD1 ASP A 80 87.228 -12.956 3.913 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.282 -13.745 2.146 1.00 0.00 O ATOM 0 H ASP A 80 85.211 -9.191 3.027 1.00 0.00 H new ATOM 0 HA ASP A 80 87.231 -10.674 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.545 -11.106 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.550 -11.882 2.634 1.00 0.00 H new ATOM 1309 N LYS A 81 84.454 -10.760 0.109 1.00 0.00 N ATOM 1310 CA LYS A 81 83.910 -11.197 -1.201 1.00 0.00 C ATOM 1311 C LYS A 81 84.755 -10.532 -2.274 1.00 0.00 C ATOM 1312 O LYS A 81 84.965 -11.069 -3.344 1.00 0.00 O ATOM 1313 CB LYS A 81 82.381 -10.885 -1.286 1.00 0.00 C ATOM 1314 CG LYS A 81 81.999 -10.018 -2.502 1.00 0.00 C ATOM 1315 CD LYS A 81 82.278 -8.542 -2.223 1.00 0.00 C ATOM 1316 CE LYS A 81 81.566 -7.681 -3.264 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.136 -6.307 -3.241 1.00 0.00 N ATOM 0 H LYS A 81 83.841 -10.162 0.663 1.00 0.00 H new ATOM 0 HA LYS A 81 83.974 -12.276 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.828 -11.823 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.071 -10.375 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.564 -10.341 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.943 -10.156 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.935 -8.279 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.351 -8.352 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 81 81.683 -8.119 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.497 -7.647 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 81.586 -5.693 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 82.095 -5.930 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.126 -6.336 -3.559 1.00 0.00 H new ATOM 1331 N TYR A 82 85.268 -9.378 -1.981 1.00 0.00 N ATOM 1332 CA TYR A 82 86.134 -8.684 -2.968 1.00 0.00 C ATOM 1333 C TYR A 82 87.538 -9.286 -2.865 1.00 0.00 C ATOM 1334 O TYR A 82 88.127 -9.668 -3.857 1.00 0.00 O ATOM 1335 CB TYR A 82 86.165 -7.172 -2.672 1.00 0.00 C ATOM 1336 CG TYR A 82 86.373 -6.395 -3.962 1.00 0.00 C ATOM 1337 CD1 TYR A 82 87.510 -6.629 -4.747 1.00 0.00 C ATOM 1338 CD2 TYR A 82 85.425 -5.448 -4.374 1.00 0.00 C ATOM 1339 CE1 TYR A 82 87.699 -5.918 -5.938 1.00 0.00 C ATOM 1340 CE2 TYR A 82 85.616 -4.737 -5.566 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.753 -4.972 -6.347 1.00 0.00 C ATOM 1342 OH TYR A 82 86.940 -4.273 -7.521 1.00 0.00 O ATOM 0 H TYR A 82 85.127 -8.883 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 82 85.747 -8.816 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.231 -6.866 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.967 -6.947 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 82 88.241 -7.359 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 82 84.547 -5.266 -3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 82 88.576 -6.100 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.885 -4.007 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 82 86.190 -3.657 -7.658 1.00 0.00 H new ATOM 1352 N GLY A 83 88.072 -9.387 -1.667 1.00 0.00 N ATOM 1353 CA GLY A 83 89.449 -9.989 -1.498 1.00 0.00 C ATOM 1354 C GLY A 83 90.358 -8.983 -0.799 1.00 0.00 C ATOM 1355 O GLY A 83 91.555 -9.165 -0.688 1.00 0.00 O ATOM 0 H GLY A 83 87.623 -9.083 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.388 -10.907 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.863 -10.256 -2.470 1.00 0.00 H new ATOM 1359 N ILE A 84 89.778 -7.934 -0.324 1.00 0.00 N ATOM 1360 CA ILE A 84 90.537 -6.876 0.392 1.00 0.00 C ATOM 1361 C ILE A 84 91.197 -7.481 1.633 1.00 0.00 C ATOM 1362 O ILE A 84 90.808 -8.532 2.099 1.00 0.00 O ATOM 1363 CB ILE A 84 89.502 -5.841 0.806 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.960 -5.114 -0.429 1.00 0.00 C ATOM 1365 CG2 ILE A 84 90.057 -4.811 1.779 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.582 -4.529 -0.111 1.00 0.00 C ATOM 0 H ILE A 84 88.777 -7.754 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 84 91.319 -6.437 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 84 88.704 -6.384 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.645 -4.320 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.889 -5.805 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.275 -4.098 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.405 -5.314 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.889 -4.283 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.195 -4.011 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.900 -5.333 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.668 -3.825 0.717 1.00 0.00 H new ATOM 1378 N GLN A 85 92.181 -6.822 2.179 1.00 0.00 N ATOM 1379 CA GLN A 85 92.849 -7.359 3.397 1.00 0.00 C ATOM 1380 C GLN A 85 93.678 -6.249 4.056 1.00 0.00 C ATOM 1381 O GLN A 85 93.571 -5.089 3.719 1.00 0.00 O ATOM 1382 CB GLN A 85 93.767 -8.539 3.006 1.00 0.00 C ATOM 1383 CG GLN A 85 93.820 -9.586 4.145 1.00 0.00 C ATOM 1384 CD GLN A 85 92.700 -10.609 3.965 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.917 -11.799 4.073 1.00 0.00 O ATOM 1386 NE2 GLN A 85 91.504 -10.183 3.693 1.00 0.00 N ATOM 0 H GLN A 85 92.551 -5.936 1.835 1.00 0.00 H new ATOM 0 HA GLN A 85 92.095 -7.711 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 85 93.400 -9.006 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.771 -8.172 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.787 -10.089 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 85 93.720 -9.091 5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 85 91.327 -9.182 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.741 -10.849 3.569 1.00 0.00 H new ATOM 1395 N ALA A 86 94.505 -6.606 4.990 1.00 0.00 N ATOM 1396 CA ALA A 86 95.350 -5.595 5.680 1.00 0.00 C ATOM 1397 C ALA A 86 96.357 -5.006 4.701 1.00 0.00 C ATOM 1398 O ALA A 86 96.820 -3.893 4.858 1.00 0.00 O ATOM 1399 CB ALA A 86 96.119 -6.289 6.790 1.00 0.00 C ATOM 0 H ALA A 86 94.635 -7.566 5.311 1.00 0.00 H new ATOM 0 HA ALA A 86 94.716 -4.802 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 86 96.745 -5.563 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 86 95.417 -6.733 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 86 96.747 -7.071 6.363 1.00 0.00 H new ATOM 1405 N ASP A 87 96.706 -5.751 3.700 1.00 0.00 N ATOM 1406 CA ASP A 87 97.691 -5.257 2.710 1.00 0.00 C ATOM 1407 C ASP A 87 96.994 -4.271 1.787 1.00 0.00 C ATOM 1408 O ASP A 87 97.613 -3.581 1.001 1.00 0.00 O ATOM 1409 CB ASP A 87 98.210 -6.454 1.921 1.00 0.00 C ATOM 1410 CG ASP A 87 98.967 -5.986 0.674 1.00 0.00 C ATOM 1411 OD1 ASP A 87 98.438 -6.152 -0.413 1.00 0.00 O ATOM 1412 OD2 ASP A 87 100.062 -5.470 0.828 1.00 0.00 O ATOM 0 H ASP A 87 96.348 -6.690 3.523 1.00 0.00 H new ATOM 0 HA ASP A 87 98.527 -4.755 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.868 -7.054 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 87 97.377 -7.094 1.629 1.00 0.00 H new ATOM 1417 N ALA A 88 95.701 -4.204 1.886 1.00 0.00 N ATOM 1418 CA ALA A 88 94.926 -3.271 1.031 1.00 0.00 C ATOM 1419 C ALA A 88 94.710 -1.965 1.795 1.00 0.00 C ATOM 1420 O ALA A 88 94.003 -1.932 2.778 1.00 0.00 O ATOM 1421 CB ALA A 88 93.580 -3.920 0.740 1.00 0.00 C ATOM 0 H ALA A 88 95.141 -4.762 2.530 1.00 0.00 H new ATOM 0 HA ALA A 88 95.455 -3.060 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.985 -3.257 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.737 -4.867 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 88 93.053 -4.101 1.677 1.00 0.00 H new ATOM 1427 N LYS A 89 95.311 -0.885 1.361 1.00 0.00 N ATOM 1428 CA LYS A 89 95.129 0.416 2.082 1.00 0.00 C ATOM 1429 C LYS A 89 94.057 1.245 1.389 1.00 0.00 C ATOM 1430 O LYS A 89 94.187 1.644 0.249 1.00 0.00 O ATOM 1431 CB LYS A 89 96.443 1.209 2.119 1.00 0.00 C ATOM 1432 CG LYS A 89 97.635 0.275 2.355 1.00 0.00 C ATOM 1433 CD LYS A 89 97.622 -0.282 3.788 1.00 0.00 C ATOM 1434 CE LYS A 89 98.442 -1.569 3.837 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.841 -1.287 3.406 1.00 0.00 N ATOM 0 H LYS A 89 95.918 -0.846 0.542 1.00 0.00 H new ATOM 0 HA LYS A 89 94.823 0.199 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.576 1.746 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.399 1.957 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.604 -0.548 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.565 0.815 2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 89 98.035 0.452 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.598 -0.478 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 89 98.437 -1.977 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.995 -2.322 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.454 -2.082 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.868 -1.163 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 100.178 -0.418 3.868 1.00 0.00 H new ATOM 1449 N LEU A 90 93.000 1.507 2.096 1.00 0.00 N ATOM 1450 CA LEU A 90 91.881 2.317 1.542 1.00 0.00 C ATOM 1451 C LEU A 90 92.067 3.768 1.972 1.00 0.00 C ATOM 1452 O LEU A 90 92.973 4.095 2.709 1.00 0.00 O ATOM 1453 CB LEU A 90 90.541 1.782 2.066 1.00 0.00 C ATOM 1454 CG LEU A 90 90.613 0.261 2.194 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.268 -0.277 2.695 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.949 -0.355 0.829 1.00 0.00 C ATOM 0 H LEU A 90 92.859 1.188 3.055 1.00 0.00 H new ATOM 0 HA LEU A 90 91.880 2.253 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.313 2.228 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.735 2.063 1.388 1.00 0.00 H new ATOM 0 HG LEU A 90 91.392 -0.007 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.321 -1.362 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 90 89.042 0.158 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.483 -0.010 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.000 -1.440 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.175 -0.088 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.911 0.025 0.485 1.00 0.00 H new ATOM 1468 N GLN A 91 91.223 4.641 1.503 1.00 0.00 N ATOM 1469 CA GLN A 91 91.325 6.083 1.874 1.00 0.00 C ATOM 1470 C GLN A 91 89.934 6.590 2.236 1.00 0.00 C ATOM 1471 O GLN A 91 88.938 6.000 1.871 1.00 0.00 O ATOM 1472 CB GLN A 91 91.827 6.910 0.687 1.00 0.00 C ATOM 1473 CG GLN A 91 93.116 6.313 0.101 1.00 0.00 C ATOM 1474 CD GLN A 91 93.274 6.775 -1.336 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.097 6.271 -2.068 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.511 7.724 -1.766 1.00 0.00 N ATOM 0 H GLN A 91 90.456 4.416 0.870 1.00 0.00 H new ATOM 0 HA GLN A 91 92.019 6.182 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.058 6.949 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.010 7.936 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 91 93.977 6.625 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.078 5.224 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 91 91.820 8.144 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.599 8.053 -2.727 1.00 0.00 H new ATOM 1485 N PHE A 92 89.866 7.694 2.929 1.00 0.00 N ATOM 1486 CA PHE A 92 88.549 8.287 3.314 1.00 0.00 C ATOM 1487 C PHE A 92 88.502 9.711 2.768 1.00 0.00 C ATOM 1488 O PHE A 92 89.390 10.506 3.007 1.00 0.00 O ATOM 1489 CB PHE A 92 88.436 8.278 4.848 1.00 0.00 C ATOM 1490 CG PHE A 92 87.301 9.162 5.338 1.00 0.00 C ATOM 1491 CD1 PHE A 92 87.426 10.561 5.339 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.127 8.573 5.828 1.00 0.00 C ATOM 1493 CE1 PHE A 92 86.384 11.359 5.826 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.087 9.374 6.311 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.216 10.766 6.313 1.00 0.00 C ATOM 0 H PHE A 92 90.679 8.220 3.251 1.00 0.00 H new ATOM 0 HA PHE A 92 87.715 7.717 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.276 7.257 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.375 8.619 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 92 88.328 11.022 4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 92 86.025 7.498 5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 92 86.483 12.434 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 92 84.182 8.916 6.683 1.00 0.00 H new ATOM 0 HZ PHE A 92 84.414 11.383 6.691 1.00 0.00 H new ATOM 1505 N THR A 93 87.486 10.033 2.010 1.00 0.00 N ATOM 1506 CA THR A 93 87.382 11.408 1.424 1.00 0.00 C ATOM 1507 C THR A 93 85.918 11.863 1.483 1.00 0.00 C ATOM 1508 O THR A 93 85.024 11.050 1.392 1.00 0.00 O ATOM 1509 CB THR A 93 87.845 11.363 -0.037 1.00 0.00 C ATOM 1510 OG1 THR A 93 87.445 12.553 -0.702 1.00 0.00 O ATOM 1511 CG2 THR A 93 87.219 10.157 -0.739 1.00 0.00 C ATOM 0 H THR A 93 86.721 9.403 1.770 1.00 0.00 H new ATOM 0 HA THR A 93 88.006 12.104 1.984 1.00 0.00 H new ATOM 0 HB THR A 93 88.931 11.277 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 93 87.744 12.523 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 93 87.550 10.128 -1.777 1.00 0.00 H new ATOM 0 HG22 THR A 93 87.527 9.242 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 93 86.133 10.241 -0.707 1.00 0.00 H new ATOM 1519 N PRO A 94 85.664 13.147 1.639 1.00 0.00 N ATOM 1520 CA PRO A 94 84.269 13.683 1.715 1.00 0.00 C ATOM 1521 C PRO A 94 83.495 13.453 0.411 1.00 0.00 C ATOM 1522 O PRO A 94 84.021 12.775 -0.456 1.00 0.00 O ATOM 1523 CB PRO A 94 84.463 15.188 1.989 1.00 0.00 C ATOM 1524 CG PRO A 94 85.844 15.493 1.510 1.00 0.00 C ATOM 1525 CD PRO A 94 86.659 14.227 1.758 1.00 0.00 C ATOM 0 HA PRO A 94 83.680 13.185 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 94 83.721 15.785 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 94 84.354 15.413 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 94 85.842 15.756 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 94 86.266 16.342 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 94 87.460 14.116 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 94 87.125 14.236 2.743 1.00 0.00 H new TER 1533 PRO A 94 ATOM 1534 N TYR B 541 51.912 38.930 10.709 1.00 0.00 N ATOM 1535 CA TYR B 541 52.707 38.609 11.928 1.00 0.00 C ATOM 1536 C TYR B 541 52.107 37.385 12.622 1.00 0.00 C ATOM 1537 O TYR B 541 51.913 37.372 13.822 1.00 0.00 O ATOM 1538 CB TYR B 541 52.677 39.805 12.884 1.00 0.00 C ATOM 1539 CG TYR B 541 53.713 39.613 13.969 1.00 0.00 C ATOM 1540 CD1 TYR B 541 53.312 39.369 15.290 1.00 0.00 C ATOM 1541 CD2 TYR B 541 55.076 39.680 13.654 1.00 0.00 C ATOM 1542 CE1 TYR B 541 54.273 39.193 16.292 1.00 0.00 C ATOM 1543 CE2 TYR B 541 56.037 39.503 14.657 1.00 0.00 C ATOM 1544 CZ TYR B 541 55.635 39.260 15.976 1.00 0.00 C ATOM 1545 OH TYR B 541 56.581 39.086 16.966 1.00 0.00 O ATOM 0 HA TYR B 541 53.738 38.395 11.645 1.00 0.00 H new ATOM 0 HB2 TYR B 541 52.876 40.726 12.336 1.00 0.00 H new ATOM 0 HB3 TYR B 541 51.686 39.905 13.327 1.00 0.00 H new ATOM 0 HD1 TYR B 541 52.261 39.317 15.534 1.00 0.00 H new ATOM 0 HD2 TYR B 541 55.386 39.868 12.637 1.00 0.00 H new ATOM 0 HE1 TYR B 541 53.964 39.005 17.310 1.00 0.00 H new ATOM 0 HE2 TYR B 541 57.088 39.554 14.413 1.00 0.00 H new ATOM 0 HH TYR B 541 57.478 39.162 16.578 1.00 0.00 H new ATOM 1555 N HIS B 542 51.808 36.353 11.877 1.00 0.00 N ATOM 1556 CA HIS B 542 51.217 35.130 12.494 1.00 0.00 C ATOM 1557 C HIS B 542 51.539 33.916 11.612 1.00 0.00 C ATOM 1558 O HIS B 542 52.363 33.090 11.953 1.00 0.00 O ATOM 1559 CB HIS B 542 49.684 35.322 12.615 1.00 0.00 C ATOM 1560 CG HIS B 542 49.209 34.951 13.999 1.00 0.00 C ATOM 1561 ND1 HIS B 542 48.784 35.902 14.913 1.00 0.00 N ATOM 1562 CD2 HIS B 542 49.090 33.740 14.634 1.00 0.00 C ATOM 1563 CE1 HIS B 542 48.432 35.254 16.038 1.00 0.00 C ATOM 1564 NE2 HIS B 542 48.599 33.933 15.922 1.00 0.00 N ATOM 0 H HIS B 542 51.948 36.305 10.868 1.00 0.00 H new ATOM 0 HA HIS B 542 51.635 34.963 13.487 1.00 0.00 H new ATOM 0 HB2 HIS B 542 49.424 36.359 12.401 1.00 0.00 H new ATOM 0 HB3 HIS B 542 49.175 34.706 11.873 1.00 0.00 H new ATOM 0 HD2 HIS B 542 49.339 32.783 14.200 1.00 0.00 H new ATOM 0 HE1 HIS B 542 48.060 35.742 16.927 1.00 0.00 H new ATOM 0 HE2 HIS B 542 48.408 33.220 16.626 1.00 0.00 H new ATOM 1572 N GLU B 543 50.885 33.808 10.482 1.00 0.00 N ATOM 1573 CA GLU B 543 51.126 32.655 9.556 1.00 0.00 C ATOM 1574 C GLU B 543 51.586 33.183 8.197 1.00 0.00 C ATOM 1575 O GLU B 543 51.978 32.430 7.328 1.00 0.00 O ATOM 1576 CB GLU B 543 49.824 31.871 9.378 1.00 0.00 C ATOM 1577 CG GLU B 543 48.702 32.831 8.974 1.00 0.00 C ATOM 1578 CD GLU B 543 47.418 32.041 8.721 1.00 0.00 C ATOM 1579 OE1 GLU B 543 46.809 31.612 9.688 1.00 0.00 O ATOM 1580 OE2 GLU B 543 47.064 31.877 7.565 1.00 0.00 O ATOM 0 H GLU B 543 50.186 34.476 10.157 1.00 0.00 H new ATOM 0 HA GLU B 543 51.894 32.004 9.974 1.00 0.00 H new ATOM 0 HB2 GLU B 543 49.951 31.102 8.616 1.00 0.00 H new ATOM 0 HB3 GLU B 543 49.564 31.361 10.306 1.00 0.00 H new ATOM 0 HG2 GLU B 543 48.539 33.567 9.761 1.00 0.00 H new ATOM 0 HG3 GLU B 543 48.986 33.381 8.077 1.00 0.00 H new ATOM 1587 N ARG B 544 51.541 34.472 8.004 1.00 0.00 N ATOM 1588 CA ARG B 544 51.976 35.043 6.700 1.00 0.00 C ATOM 1589 C ARG B 544 53.357 34.486 6.341 1.00 0.00 C ATOM 1590 O ARG B 544 53.592 34.058 5.228 1.00 0.00 O ATOM 1591 CB ARG B 544 52.048 36.569 6.804 1.00 0.00 C ATOM 1592 CG ARG B 544 50.784 37.103 7.492 1.00 0.00 C ATOM 1593 CD ARG B 544 49.533 36.648 6.724 1.00 0.00 C ATOM 1594 NE ARG B 544 48.457 37.683 6.853 1.00 0.00 N ATOM 1595 CZ ARG B 544 48.121 38.172 8.018 1.00 0.00 C ATOM 1596 NH1 ARG B 544 47.275 39.163 8.083 1.00 0.00 N ATOM 1597 NH2 ARG B 544 48.578 37.641 9.118 1.00 0.00 N ATOM 0 H ARG B 544 51.222 35.154 8.693 1.00 0.00 H new ATOM 0 HA ARG B 544 51.259 34.771 5.925 1.00 0.00 H new ATOM 0 HB2 ARG B 544 52.933 36.863 7.369 1.00 0.00 H new ATOM 0 HB3 ARG B 544 52.145 37.006 5.810 1.00 0.00 H new ATOM 0 HG2 ARG B 544 50.740 36.743 8.520 1.00 0.00 H new ATOM 0 HG3 ARG B 544 50.817 38.192 7.537 1.00 0.00 H new ATOM 0 HD2 ARG B 544 49.776 36.492 5.673 1.00 0.00 H new ATOM 0 HD3 ARG B 544 49.181 35.693 7.115 1.00 0.00 H new ATOM 0 HE ARG B 544 47.977 38.012 6.015 1.00 0.00 H new ATOM 0 HH11 ARG B 544 46.879 39.553 7.227 1.00 0.00 H new ATOM 0 HH12 ARG B 544 47.009 39.548 8.989 1.00 0.00 H new ATOM 0 HH21 ARG B 544 49.204 36.837 9.074 1.00 0.00 H new ATOM 0 HH22 ARG B 544 48.310 38.030 10.022 1.00 0.00 H new ATOM 1611 N ARG B 545 54.271 34.492 7.274 1.00 0.00 N ATOM 1612 CA ARG B 545 55.631 33.971 6.998 1.00 0.00 C ATOM 1613 C ARG B 545 55.551 32.518 6.516 1.00 0.00 C ATOM 1614 O ARG B 545 55.090 32.243 5.427 1.00 0.00 O ATOM 1615 CB ARG B 545 56.451 34.039 8.289 1.00 0.00 C ATOM 1616 CG ARG B 545 56.897 35.479 8.547 1.00 0.00 C ATOM 1617 CD ARG B 545 55.691 36.360 8.881 1.00 0.00 C ATOM 1618 NE ARG B 545 56.164 37.618 9.525 1.00 0.00 N ATOM 1619 CZ ARG B 545 55.362 38.642 9.626 1.00 0.00 C ATOM 1620 NH1 ARG B 545 55.781 39.747 10.180 1.00 0.00 N ATOM 1621 NH2 ARG B 545 54.140 38.560 9.176 1.00 0.00 N ATOM 0 H ARG B 545 54.127 34.840 8.222 1.00 0.00 H new ATOM 0 HA ARG B 545 56.103 34.571 6.220 1.00 0.00 H new ATOM 0 HB2 ARG B 545 55.856 33.678 9.128 1.00 0.00 H new ATOM 0 HB3 ARG B 545 57.322 33.388 8.212 1.00 0.00 H new ATOM 0 HG2 ARG B 545 57.612 35.503 9.370 1.00 0.00 H new ATOM 0 HG3 ARG B 545 57.409 35.871 7.668 1.00 0.00 H new ATOM 0 HD2 ARG B 545 55.132 36.590 7.974 1.00 0.00 H new ATOM 0 HD3 ARG B 545 55.012 35.829 9.548 1.00 0.00 H new ATOM 0 HE ARG B 545 57.116 37.678 9.887 1.00 0.00 H new ATOM 0 HH11 ARG B 545 56.736 39.810 10.534 1.00 0.00 H new ATOM 0 HH12 ARG B 545 55.154 40.548 10.259 1.00 0.00 H new ATOM 0 HH21 ARG B 545 53.812 37.695 8.745 1.00 0.00 H new ATOM 0 HH22 ARG B 545 53.513 39.360 9.255 1.00 0.00 H new ATOM 1635 N GLY B 546 56.022 31.590 7.317 1.00 0.00 N ATOM 1636 CA GLY B 546 56.003 30.145 6.909 1.00 0.00 C ATOM 1637 C GLY B 546 55.386 29.273 8.009 1.00 0.00 C ATOM 1638 O GLY B 546 54.220 28.934 7.961 1.00 0.00 O ATOM 0 H GLY B 546 56.420 31.771 8.239 1.00 0.00 H new ATOM 0 HA2 GLY B 546 55.433 30.031 5.987 1.00 0.00 H new ATOM 0 HA3 GLY B 546 57.019 29.809 6.700 1.00 0.00 H new ATOM 1642 N SER B 547 56.162 28.887 8.988 1.00 0.00 N ATOM 1643 CA SER B 547 55.626 28.016 10.072 1.00 0.00 C ATOM 1644 C SER B 547 56.683 27.909 11.169 1.00 0.00 C ATOM 1645 O SER B 547 57.785 27.486 10.925 1.00 0.00 O ATOM 1646 CB SER B 547 55.339 26.627 9.490 1.00 0.00 C ATOM 1647 OG SER B 547 54.005 26.592 8.998 1.00 0.00 O ATOM 0 H SER B 547 57.146 29.139 9.082 1.00 0.00 H new ATOM 0 HA SER B 547 54.707 28.432 10.485 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.041 26.404 8.687 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.477 25.863 10.255 1.00 0.00 H new ATOM 0 HG SER B 547 53.892 27.281 8.311 1.00 0.00 H new ATOM 1653 N LEU B 548 56.373 28.304 12.367 1.00 0.00 N ATOM 1654 CA LEU B 548 57.392 28.237 13.448 1.00 0.00 C ATOM 1655 C LEU B 548 57.883 26.805 13.643 1.00 0.00 C ATOM 1656 O LEU B 548 57.107 25.881 13.711 1.00 0.00 O ATOM 1657 CB LEU B 548 56.777 28.766 14.764 1.00 0.00 C ATOM 1658 CG LEU B 548 57.192 30.232 14.991 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.497 31.136 13.969 1.00 0.00 C ATOM 1660 CD2 LEU B 548 56.806 30.673 16.400 1.00 0.00 C ATOM 0 H LEU B 548 55.462 28.669 12.646 1.00 0.00 H new ATOM 0 HA LEU B 548 58.245 28.854 13.166 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.690 28.690 14.723 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.108 28.152 15.602 1.00 0.00 H new ATOM 0 HG LEU B 548 58.272 30.312 14.871 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.796 32.171 14.136 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.784 30.834 12.962 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.416 31.048 14.081 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.104 31.711 16.551 1.00 0.00 H new ATOM 0 HD22 LEU B 548 55.727 30.583 16.527 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.311 30.041 17.130 1.00 0.00 H new ATOM 1672 N CYS B 549 59.174 26.632 13.783 1.00 0.00 N ATOM 1673 CA CYS B 549 59.716 25.272 14.019 1.00 0.00 C ATOM 1674 C CYS B 549 59.601 25.031 15.515 1.00 0.00 C ATOM 1675 O CYS B 549 60.341 25.575 16.308 1.00 0.00 O ATOM 1676 CB CYS B 549 61.191 25.251 13.583 1.00 0.00 C ATOM 1677 SG CYS B 549 62.123 23.936 14.432 1.00 0.00 S ATOM 0 H CYS B 549 59.870 27.377 13.743 1.00 0.00 H new ATOM 0 HA CYS B 549 59.182 24.504 13.460 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.250 25.102 12.505 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.648 26.217 13.796 1.00 0.00 H new ATOM 1682 N SER B 550 58.643 24.246 15.903 1.00 0.00 N ATOM 1683 CA SER B 550 58.429 23.994 17.349 1.00 0.00 C ATOM 1684 C SER B 550 59.733 23.562 17.988 1.00 0.00 C ATOM 1685 O SER B 550 60.418 22.672 17.522 1.00 0.00 O ATOM 1686 CB SER B 550 57.338 22.951 17.557 1.00 0.00 C ATOM 1687 OG SER B 550 57.340 22.532 18.916 1.00 0.00 O ATOM 0 H SER B 550 57.996 23.765 15.278 1.00 0.00 H new ATOM 0 HA SER B 550 58.096 24.915 17.828 1.00 0.00 H new ATOM 0 HB2 SER B 550 56.366 23.368 17.295 1.00 0.00 H new ATOM 0 HB3 SER B 550 57.506 22.097 16.901 1.00 0.00 H new ATOM 0 HG SER B 550 56.429 22.581 19.275 1.00 0.00 H new ATOM 1693 N GLY B 551 60.094 24.240 19.034 1.00 0.00 N ATOM 1694 CA GLY B 551 61.380 23.962 19.733 1.00 0.00 C ATOM 1695 C GLY B 551 62.280 25.148 19.450 1.00 0.00 C ATOM 1696 O GLY B 551 63.074 25.570 20.266 1.00 0.00 O ATOM 0 H GLY B 551 59.542 24.993 19.446 1.00 0.00 H new ATOM 0 HA2 GLY B 551 61.222 23.840 20.805 1.00 0.00 H new ATOM 0 HA3 GLY B 551 61.829 23.037 19.370 1.00 0.00 H new ATOM 1700 N CYS B 552 62.120 25.704 18.284 1.00 0.00 N ATOM 1701 CA CYS B 552 62.900 26.891 17.879 1.00 0.00 C ATOM 1702 C CYS B 552 61.949 28.082 17.894 1.00 0.00 C ATOM 1703 O CYS B 552 62.310 29.194 18.220 1.00 0.00 O ATOM 1704 CB CYS B 552 63.387 26.673 16.448 1.00 0.00 C ATOM 1705 SG CYS B 552 64.915 25.709 16.446 1.00 0.00 S ATOM 0 H CYS B 552 61.461 25.372 17.580 1.00 0.00 H new ATOM 0 HA CYS B 552 63.748 27.059 18.543 1.00 0.00 H new ATOM 0 HB2 CYS B 552 62.621 26.155 15.871 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.555 27.635 15.963 1.00 0.00 H new ATOM 1710 N GLN B 553 60.730 27.831 17.516 1.00 0.00 N ATOM 1711 CA GLN B 553 59.710 28.900 17.455 1.00 0.00 C ATOM 1712 C GLN B 553 60.197 30.033 16.573 1.00 0.00 C ATOM 1713 O GLN B 553 60.236 31.186 16.951 1.00 0.00 O ATOM 1714 CB GLN B 553 59.356 29.392 18.842 1.00 0.00 C ATOM 1715 CG GLN B 553 58.676 28.250 19.597 1.00 0.00 C ATOM 1716 CD GLN B 553 57.314 27.923 18.980 1.00 0.00 C ATOM 1717 OE1 GLN B 553 56.292 28.399 19.433 1.00 0.00 O ATOM 1718 NE2 GLN B 553 57.267 27.122 17.951 1.00 0.00 N ATOM 0 H GLN B 553 60.394 26.908 17.241 1.00 0.00 H new ATOM 0 HA GLN B 553 58.800 28.491 17.015 1.00 0.00 H new ATOM 0 HB2 GLN B 553 60.253 29.716 19.370 1.00 0.00 H new ATOM 0 HB3 GLN B 553 58.693 30.255 18.781 1.00 0.00 H new ATOM 0 HG2 GLN B 553 59.312 27.365 19.575 1.00 0.00 H new ATOM 0 HG3 GLN B 553 58.549 28.526 20.644 1.00 0.00 H new ATOM 0 HE21 GLN B 553 58.128 26.725 17.574 1.00 0.00 H new ATOM 0 HE22 GLN B 553 56.370 26.893 17.523 1.00 0.00 H new ATOM 1727 N LYS B 554 60.517 29.676 15.372 1.00 0.00 N ATOM 1728 CA LYS B 554 60.970 30.657 14.339 1.00 0.00 C ATOM 1729 C LYS B 554 60.332 30.224 13.001 1.00 0.00 C ATOM 1730 O LYS B 554 60.496 29.088 12.602 1.00 0.00 O ATOM 1731 CB LYS B 554 62.495 30.617 14.196 1.00 0.00 C ATOM 1732 CG LYS B 554 63.167 31.025 15.512 1.00 0.00 C ATOM 1733 CD LYS B 554 62.908 32.511 15.809 1.00 0.00 C ATOM 1734 CE LYS B 554 63.971 33.038 16.778 1.00 0.00 C ATOM 1735 NZ LYS B 554 65.283 33.128 16.077 1.00 0.00 N ATOM 0 H LYS B 554 60.485 28.711 15.043 1.00 0.00 H new ATOM 0 HA LYS B 554 60.677 31.668 14.621 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.814 29.614 13.914 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.809 31.288 13.397 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.784 30.413 16.328 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.240 30.841 15.452 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.930 33.086 14.883 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.915 32.638 16.240 1.00 0.00 H new ATOM 0 HE2 LYS B 554 63.680 34.019 17.155 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.052 32.376 17.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.865 33.866 16.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 65.775 32.214 16.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 65.127 33.367 15.077 1.00 0.00 H new ATOM 1749 N PRO B 555 59.587 31.067 12.312 1.00 0.00 N ATOM 1750 CA PRO B 555 58.932 30.643 11.038 1.00 0.00 C ATOM 1751 C PRO B 555 59.819 29.833 10.090 1.00 0.00 C ATOM 1752 O PRO B 555 60.966 30.148 9.842 1.00 0.00 O ATOM 1753 CB PRO B 555 58.541 31.982 10.418 1.00 0.00 C ATOM 1754 CG PRO B 555 58.477 33.012 11.558 1.00 0.00 C ATOM 1755 CD PRO B 555 59.320 32.472 12.731 1.00 0.00 C ATOM 0 HA PRO B 555 58.105 29.958 11.226 1.00 0.00 H new ATOM 0 HB2 PRO B 555 59.270 32.285 9.667 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.577 31.906 9.914 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.861 33.976 11.224 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.445 33.171 11.871 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.242 33.039 12.864 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.778 32.518 13.676 1.00 0.00 H new ATOM 1763 N ILE B 556 59.249 28.789 9.551 1.00 0.00 N ATOM 1764 CA ILE B 556 59.968 27.912 8.594 1.00 0.00 C ATOM 1765 C ILE B 556 59.620 28.380 7.179 1.00 0.00 C ATOM 1766 O ILE B 556 58.573 28.059 6.653 1.00 0.00 O ATOM 1767 CB ILE B 556 59.472 26.480 8.805 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.941 25.960 10.184 1.00 0.00 C ATOM 1769 CG2 ILE B 556 60.022 25.579 7.706 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.014 24.830 10.681 1.00 0.00 C ATOM 0 H ILE B 556 58.289 28.504 9.742 1.00 0.00 H new ATOM 0 HA ILE B 556 61.047 27.953 8.742 1.00 0.00 H new ATOM 0 HB ILE B 556 58.383 26.471 8.769 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.965 25.593 10.112 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.946 26.778 10.905 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.667 24.560 7.859 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.682 25.940 6.735 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.112 25.592 7.736 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.360 24.477 11.653 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.996 25.209 10.774 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.031 24.006 9.968 1.00 0.00 H new ATOM 1782 N THR B 557 60.472 29.168 6.571 1.00 0.00 N ATOM 1783 CA THR B 557 60.172 29.699 5.203 1.00 0.00 C ATOM 1784 C THR B 557 60.904 28.900 4.125 1.00 0.00 C ATOM 1785 O THR B 557 62.022 29.195 3.754 1.00 0.00 O ATOM 1786 CB THR B 557 60.600 31.162 5.151 1.00 0.00 C ATOM 1787 OG1 THR B 557 62.005 31.240 4.956 1.00 0.00 O ATOM 1788 CG2 THR B 557 60.221 31.825 6.475 1.00 0.00 C ATOM 0 H THR B 557 61.365 29.468 6.963 1.00 0.00 H new ATOM 0 HA THR B 557 59.103 29.608 5.009 1.00 0.00 H new ATOM 0 HB THR B 557 60.102 31.671 4.326 1.00 0.00 H new ATOM 0 HG1 THR B 557 62.240 30.825 4.100 1.00 0.00 H new ATOM 0 HG21 THR B 557 60.520 32.873 6.456 1.00 0.00 H new ATOM 0 HG22 THR B 557 59.143 31.758 6.620 1.00 0.00 H new ATOM 0 HG23 THR B 557 60.730 31.318 7.295 1.00 0.00 H new ATOM 1796 N GLY B 558 60.257 27.893 3.620 1.00 0.00 N ATOM 1797 CA GLY B 558 60.856 27.043 2.556 1.00 0.00 C ATOM 1798 C GLY B 558 60.166 25.686 2.610 1.00 0.00 C ATOM 1799 O GLY B 558 59.097 25.494 2.066 1.00 0.00 O ATOM 0 H GLY B 558 59.318 27.616 3.905 1.00 0.00 H new ATOM 0 HA2 GLY B 558 60.721 27.503 1.577 1.00 0.00 H new ATOM 0 HA3 GLY B 558 61.929 26.934 2.712 1.00 0.00 H new ATOM 1803 N ARG B 559 60.760 24.757 3.301 1.00 0.00 N ATOM 1804 CA ARG B 559 60.161 23.405 3.462 1.00 0.00 C ATOM 1805 C ARG B 559 59.814 23.245 4.934 1.00 0.00 C ATOM 1806 O ARG B 559 60.430 23.857 5.782 1.00 0.00 O ATOM 1807 CB ARG B 559 61.193 22.343 3.049 1.00 0.00 C ATOM 1808 CG ARG B 559 61.123 22.109 1.531 1.00 0.00 C ATOM 1809 CD ARG B 559 60.041 21.069 1.204 1.00 0.00 C ATOM 1810 NE ARG B 559 59.655 21.169 -0.246 1.00 0.00 N ATOM 1811 CZ ARG B 559 59.164 22.268 -0.757 1.00 0.00 C ATOM 1812 NH1 ARG B 559 58.944 22.341 -2.041 1.00 0.00 N ATOM 1813 NH2 ARG B 559 58.848 23.274 0.012 1.00 0.00 N ATOM 0 H ARG B 559 61.656 24.881 3.772 1.00 0.00 H new ATOM 0 HA ARG B 559 59.273 23.286 2.841 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.195 22.668 3.330 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.000 21.410 3.579 1.00 0.00 H new ATOM 0 HG2 ARG B 559 60.902 23.047 1.021 1.00 0.00 H new ATOM 0 HG3 ARG B 559 62.090 21.766 1.164 1.00 0.00 H new ATOM 0 HD2 ARG B 559 60.410 20.067 1.423 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.166 21.231 1.834 1.00 0.00 H new ATOM 0 HE ARG B 559 59.780 20.356 -0.849 1.00 0.00 H new ATOM 0 HH11 ARG B 559 59.155 21.543 -2.641 1.00 0.00 H new ATOM 0 HH12 ARG B 559 58.561 23.196 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG B 559 58.983 23.207 1.021 1.00 0.00 H new ATOM 0 HH22 ARG B 559 58.466 24.127 -0.396 1.00 0.00 H new ATOM 1827 N CYS B 560 58.837 22.445 5.261 1.00 0.00 N ATOM 1828 CA CYS B 560 58.481 22.282 6.702 1.00 0.00 C ATOM 1829 C CYS B 560 58.042 20.863 7.012 1.00 0.00 C ATOM 1830 O CYS B 560 57.137 20.319 6.411 1.00 0.00 O ATOM 1831 CB CYS B 560 57.369 23.257 7.082 1.00 0.00 C ATOM 1832 SG CYS B 560 55.963 23.045 5.962 1.00 0.00 S ATOM 0 H CYS B 560 58.275 21.903 4.604 1.00 0.00 H new ATOM 0 HA CYS B 560 59.374 22.497 7.289 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.056 23.083 8.111 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.737 24.282 7.030 1.00 0.00 H new ATOM 0 HG CYS B 560 55.865 21.795 5.620 1.00 0.00 H new ATOM 1838 N ILE B 561 58.676 20.276 7.986 1.00 0.00 N ATOM 1839 CA ILE B 561 58.321 18.907 8.410 1.00 0.00 C ATOM 1840 C ILE B 561 57.279 19.026 9.492 1.00 0.00 C ATOM 1841 O ILE B 561 57.285 19.951 10.277 1.00 0.00 O ATOM 1842 CB ILE B 561 59.564 18.226 8.967 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.553 18.102 7.824 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.235 16.828 9.522 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.793 17.352 8.292 1.00 0.00 C ATOM 0 H ILE B 561 59.439 20.701 8.513 1.00 0.00 H new ATOM 0 HA ILE B 561 57.938 18.321 7.575 1.00 0.00 H new ATOM 0 HB ILE B 561 59.973 18.814 9.789 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.092 17.575 6.988 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.831 19.092 7.463 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.143 16.368 9.912 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.501 16.918 10.323 1.00 0.00 H new ATOM 0 HG23 ILE B 561 58.828 16.207 8.725 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.500 17.266 7.466 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.259 17.896 9.113 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.509 16.356 8.632 1.00 0.00 H new ATOM 1857 N THR B 562 56.389 18.091 9.532 1.00 0.00 N ATOM 1858 CA THR B 562 55.309 18.105 10.562 1.00 0.00 C ATOM 1859 C THR B 562 55.432 16.871 11.430 1.00 0.00 C ATOM 1860 O THR B 562 55.864 15.824 10.996 1.00 0.00 O ATOM 1861 CB THR B 562 53.925 18.136 9.915 1.00 0.00 C ATOM 1862 OG1 THR B 562 53.912 19.091 8.863 1.00 0.00 O ATOM 1863 CG2 THR B 562 52.889 18.520 10.977 1.00 0.00 C ATOM 0 H THR B 562 56.355 17.301 8.888 1.00 0.00 H new ATOM 0 HA THR B 562 55.422 19.005 11.166 1.00 0.00 H new ATOM 0 HB THR B 562 53.685 17.155 9.506 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.024 19.108 8.448 1.00 0.00 H new ATOM 0 HG21 THR B 562 51.897 18.545 10.525 1.00 0.00 H new ATOM 0 HG22 THR B 562 52.903 17.785 11.782 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.129 19.504 11.380 1.00 0.00 H new ATOM 1871 N ALA B 563 55.078 17.011 12.668 1.00 0.00 N ATOM 1872 CA ALA B 563 55.176 15.890 13.634 1.00 0.00 C ATOM 1873 C ALA B 563 53.812 15.642 14.265 1.00 0.00 C ATOM 1874 O ALA B 563 52.813 15.505 13.587 1.00 0.00 O ATOM 1875 CB ALA B 563 56.190 16.272 14.700 1.00 0.00 C ATOM 0 H ALA B 563 54.715 17.878 13.063 1.00 0.00 H new ATOM 0 HA ALA B 563 55.495 14.977 13.132 1.00 0.00 H new ATOM 0 HB1 ALA B 563 56.280 15.462 15.424 1.00 0.00 H new ATOM 0 HB2 ALA B 563 57.159 16.451 14.233 1.00 0.00 H new ATOM 0 HB3 ALA B 563 55.860 17.178 15.209 1.00 0.00 H new ATOM 1881 N MET B 564 53.770 15.586 15.560 1.00 0.00 N ATOM 1882 CA MET B 564 52.489 15.356 16.284 1.00 0.00 C ATOM 1883 C MET B 564 51.564 16.550 16.058 1.00 0.00 C ATOM 1884 O MET B 564 50.734 16.864 16.883 1.00 0.00 O ATOM 1885 CB MET B 564 52.795 15.233 17.773 1.00 0.00 C ATOM 1886 CG MET B 564 54.117 14.489 17.962 1.00 0.00 C ATOM 1887 SD MET B 564 54.258 13.936 19.680 1.00 0.00 S ATOM 1888 CE MET B 564 53.474 12.319 19.466 1.00 0.00 C ATOM 0 H MET B 564 54.585 15.692 16.164 1.00 0.00 H new ATOM 0 HA MET B 564 52.006 14.449 15.921 1.00 0.00 H new ATOM 0 HB2 MET B 564 52.854 16.223 18.226 1.00 0.00 H new ATOM 0 HB3 MET B 564 51.990 14.699 18.278 1.00 0.00 H new ATOM 0 HG2 MET B 564 54.165 13.633 17.288 1.00 0.00 H new ATOM 0 HG3 MET B 564 54.953 15.141 17.709 1.00 0.00 H new ATOM 0 HE1 MET B 564 53.454 11.795 20.422 1.00 0.00 H new ATOM 0 HE2 MET B 564 52.454 12.454 19.105 1.00 0.00 H new ATOM 0 HE3 MET B 564 54.041 11.733 18.743 1.00 0.00 H new ATOM 1898 N ALA B 565 51.771 17.209 14.955 1.00 0.00 N ATOM 1899 CA ALA B 565 51.016 18.433 14.550 1.00 0.00 C ATOM 1900 C ALA B 565 51.982 19.595 14.680 1.00 0.00 C ATOM 1901 O ALA B 565 51.716 20.701 14.253 1.00 0.00 O ATOM 1902 CB ALA B 565 49.780 18.699 15.413 1.00 0.00 C ATOM 0 H ALA B 565 52.478 16.931 14.274 1.00 0.00 H new ATOM 0 HA ALA B 565 50.646 18.300 13.533 1.00 0.00 H new ATOM 0 HB1 ALA B 565 49.280 19.602 15.064 1.00 0.00 H new ATOM 0 HB2 ALA B 565 49.096 17.854 15.339 1.00 0.00 H new ATOM 0 HB3 ALA B 565 50.083 18.831 16.452 1.00 0.00 H new ATOM 1908 N LYS B 566 53.124 19.336 15.261 1.00 0.00 N ATOM 1909 CA LYS B 566 54.140 20.406 15.413 1.00 0.00 C ATOM 1910 C LYS B 566 54.895 20.536 14.098 1.00 0.00 C ATOM 1911 O LYS B 566 54.862 19.651 13.275 1.00 0.00 O ATOM 1912 CB LYS B 566 55.121 20.013 16.529 1.00 0.00 C ATOM 1913 CG LYS B 566 54.686 20.629 17.861 1.00 0.00 C ATOM 1914 CD LYS B 566 55.409 19.918 19.018 1.00 0.00 C ATOM 1915 CE LYS B 566 54.600 18.690 19.464 1.00 0.00 C ATOM 1916 NZ LYS B 566 55.504 17.720 20.144 1.00 0.00 N ATOM 0 H LYS B 566 53.393 18.426 15.636 1.00 0.00 H new ATOM 0 HA LYS B 566 53.663 21.352 15.668 1.00 0.00 H new ATOM 0 HB2 LYS B 566 55.164 18.928 16.619 1.00 0.00 H new ATOM 0 HB3 LYS B 566 56.126 20.351 16.275 1.00 0.00 H new ATOM 0 HG2 LYS B 566 54.918 21.694 17.874 1.00 0.00 H new ATOM 0 HG3 LYS B 566 53.607 20.536 17.981 1.00 0.00 H new ATOM 0 HD2 LYS B 566 56.406 19.612 18.702 1.00 0.00 H new ATOM 0 HD3 LYS B 566 55.536 20.604 19.855 1.00 0.00 H new ATOM 0 HE2 LYS B 566 53.801 18.994 20.140 1.00 0.00 H new ATOM 0 HE3 LYS B 566 54.127 18.220 18.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 54.957 16.889 20.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 56.252 17.422 19.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 55.935 18.172 20.976 1.00 0.00 H new ATOM 1930 N LYS B 567 55.588 21.624 13.906 1.00 0.00 N ATOM 1931 CA LYS B 567 56.371 21.823 12.655 1.00 0.00 C ATOM 1932 C LYS B 567 57.841 21.611 12.996 1.00 0.00 C ATOM 1933 O LYS B 567 58.186 21.407 14.143 1.00 0.00 O ATOM 1934 CB LYS B 567 56.128 23.238 12.131 1.00 0.00 C ATOM 1935 CG LYS B 567 54.659 23.638 12.366 1.00 0.00 C ATOM 1936 CD LYS B 567 53.697 22.662 11.656 1.00 0.00 C ATOM 1937 CE LYS B 567 53.911 22.731 10.144 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.721 22.162 9.450 1.00 0.00 N ATOM 0 H LYS B 567 55.645 22.394 14.572 1.00 0.00 H new ATOM 0 HA LYS B 567 56.070 21.120 11.879 1.00 0.00 H new ATOM 0 HB2 LYS B 567 56.791 23.941 12.636 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.362 23.287 11.067 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.448 23.648 13.435 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.491 24.650 11.999 1.00 0.00 H new ATOM 0 HD2 LYS B 567 53.869 21.646 12.011 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.665 22.914 11.898 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.067 23.764 9.834 1.00 0.00 H new ATOM 0 HE3 LYS B 567 54.807 22.176 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.500 22.737 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.925 21.186 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 51.907 22.166 10.097 1.00 0.00 H new ATOM 1952 N PHE B 568 58.718 21.627 12.035 1.00 0.00 N ATOM 1953 CA PHE B 568 60.148 21.390 12.379 1.00 0.00 C ATOM 1954 C PHE B 568 61.048 21.923 11.278 1.00 0.00 C ATOM 1955 O PHE B 568 60.867 21.620 10.117 1.00 0.00 O ATOM 1956 CB PHE B 568 60.377 19.863 12.526 1.00 0.00 C ATOM 1957 CG PHE B 568 60.347 19.460 13.986 1.00 0.00 C ATOM 1958 CD1 PHE B 568 59.158 18.992 14.559 1.00 0.00 C ATOM 1959 CD2 PHE B 568 61.508 19.556 14.762 1.00 0.00 C ATOM 1960 CE1 PHE B 568 59.130 18.620 15.908 1.00 0.00 C ATOM 1961 CE2 PHE B 568 61.480 19.183 16.111 1.00 0.00 C ATOM 1962 CZ PHE B 568 60.291 18.716 16.684 1.00 0.00 C ATOM 0 H PHE B 568 58.516 21.790 11.048 1.00 0.00 H new ATOM 0 HA PHE B 568 60.386 21.903 13.311 1.00 0.00 H new ATOM 0 HB2 PHE B 568 59.608 19.320 11.977 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.336 19.589 12.087 1.00 0.00 H new ATOM 0 HD1 PHE B 568 58.262 18.918 13.960 1.00 0.00 H new ATOM 0 HD2 PHE B 568 62.425 19.918 14.320 1.00 0.00 H new ATOM 0 HE1 PHE B 568 58.213 18.259 16.350 1.00 0.00 H new ATOM 0 HE2 PHE B 568 62.376 19.255 16.710 1.00 0.00 H new ATOM 0 HZ PHE B 568 60.270 18.430 17.725 1.00 0.00 H new ATOM 1972 N HIS B 569 62.059 22.666 11.637 1.00 0.00 N ATOM 1973 CA HIS B 569 63.005 23.153 10.603 1.00 0.00 C ATOM 1974 C HIS B 569 63.464 21.903 9.836 1.00 0.00 C ATOM 1975 O HIS B 569 64.112 21.054 10.416 1.00 0.00 O ATOM 1976 CB HIS B 569 64.230 23.776 11.280 1.00 0.00 C ATOM 1977 CG HIS B 569 63.999 25.221 11.609 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.072 25.683 12.910 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.768 26.322 10.826 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.903 27.015 12.874 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.709 27.458 11.627 1.00 0.00 N ATOM 0 H HIS B 569 62.267 22.953 12.593 1.00 0.00 H new ATOM 0 HA HIS B 569 62.539 23.896 9.956 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.462 23.226 12.192 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.096 23.685 10.624 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.650 26.310 9.753 1.00 0.00 H new ATOM 0 HE1 HIS B 569 63.922 27.651 13.746 1.00 0.00 H new ATOM 0 HE2 HIS B 569 63.552 28.420 11.328 1.00 0.00 H new ATOM 1988 N PRO B 570 63.135 21.738 8.581 1.00 0.00 N ATOM 1989 CA PRO B 570 63.561 20.512 7.874 1.00 0.00 C ATOM 1990 C PRO B 570 65.045 20.232 8.118 1.00 0.00 C ATOM 1991 O PRO B 570 65.547 19.163 7.843 1.00 0.00 O ATOM 1992 CB PRO B 570 63.266 20.868 6.411 1.00 0.00 C ATOM 1993 CG PRO B 570 62.243 22.012 6.424 1.00 0.00 C ATOM 1994 CD PRO B 570 62.355 22.719 7.782 1.00 0.00 C ATOM 0 HA PRO B 570 63.055 19.604 8.200 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.178 21.172 5.897 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.871 20.004 5.876 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.440 22.711 5.611 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.235 21.626 6.275 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.867 23.678 7.701 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.377 22.916 8.221 1.00 0.00 H new ATOM 2002 N GLU B 571 65.744 21.202 8.647 1.00 0.00 N ATOM 2003 CA GLU B 571 67.197 21.028 8.912 1.00 0.00 C ATOM 2004 C GLU B 571 67.421 20.518 10.338 1.00 0.00 C ATOM 2005 O GLU B 571 68.106 19.546 10.574 1.00 0.00 O ATOM 2006 CB GLU B 571 67.889 22.388 8.761 1.00 0.00 C ATOM 2007 CG GLU B 571 67.229 23.157 7.623 1.00 0.00 C ATOM 2008 CD GLU B 571 68.062 24.396 7.287 1.00 0.00 C ATOM 2009 OE1 GLU B 571 67.487 25.470 7.215 1.00 0.00 O ATOM 2010 OE2 GLU B 571 69.259 24.249 7.106 1.00 0.00 O ATOM 0 H GLU B 571 65.365 22.112 8.908 1.00 0.00 H new ATOM 0 HA GLU B 571 67.606 20.305 8.206 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.815 22.953 9.690 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.951 22.250 8.556 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.138 22.519 6.744 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.219 23.452 7.908 1.00 0.00 H new ATOM 2017 N HIS B 572 66.855 21.185 11.293 1.00 0.00 N ATOM 2018 CA HIS B 572 67.049 20.760 12.710 1.00 0.00 C ATOM 2019 C HIS B 572 66.532 19.335 12.905 1.00 0.00 C ATOM 2020 O HIS B 572 66.716 18.741 13.949 1.00 0.00 O ATOM 2021 CB HIS B 572 66.335 21.751 13.641 1.00 0.00 C ATOM 2022 CG HIS B 572 66.790 23.142 13.258 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.087 24.321 13.551 1.00 0.00 N ATOM 2024 CD2 HIS B 572 67.912 23.550 12.574 1.00 0.00 C ATOM 2025 CE1 HIS B 572 66.802 25.343 13.042 1.00 0.00 C ATOM 2026 NE2 HIS B 572 67.915 24.930 12.442 1.00 0.00 N ATOM 0 H HIS B 572 66.265 22.007 11.161 1.00 0.00 H new ATOM 0 HA HIS B 572 68.111 20.763 12.956 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.253 21.660 13.541 1.00 0.00 H new ATOM 0 HB3 HIS B 572 66.577 21.541 14.683 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.679 22.891 12.195 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.505 26.379 13.113 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.620 25.506 11.983 1.00 0.00 H new ATOM 2033 N PHE B 573 65.920 18.767 11.894 1.00 0.00 N ATOM 2034 CA PHE B 573 65.426 17.357 11.993 1.00 0.00 C ATOM 2035 C PHE B 573 65.974 16.585 10.793 1.00 0.00 C ATOM 2036 O PHE B 573 65.240 16.024 10.007 1.00 0.00 O ATOM 2037 CB PHE B 573 63.901 17.343 11.963 1.00 0.00 C ATOM 2038 CG PHE B 573 63.395 15.996 12.431 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.366 15.696 13.798 1.00 0.00 C ATOM 2040 CD2 PHE B 573 62.960 15.047 11.497 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.902 14.448 14.231 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.496 13.799 11.930 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.467 13.499 13.298 1.00 0.00 C ATOM 0 H PHE B 573 65.740 19.222 10.999 1.00 0.00 H new ATOM 0 HA PHE B 573 65.759 16.900 12.925 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.508 18.133 12.603 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.545 17.545 10.953 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.702 16.427 14.519 1.00 0.00 H new ATOM 0 HD2 PHE B 573 62.983 15.278 10.442 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.880 14.217 15.286 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.161 13.068 11.209 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.109 12.536 13.633 1.00 0.00 H new ATOM 2053 N VAL B 574 67.270 16.593 10.641 1.00 0.00 N ATOM 2054 CA VAL B 574 67.918 15.905 9.484 1.00 0.00 C ATOM 2055 C VAL B 574 68.368 14.482 9.856 1.00 0.00 C ATOM 2056 O VAL B 574 68.260 14.052 10.988 1.00 0.00 O ATOM 2057 CB VAL B 574 69.166 16.687 9.068 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.762 18.032 8.435 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.049 16.917 10.305 1.00 0.00 C ATOM 0 H VAL B 574 67.919 17.054 11.279 1.00 0.00 H new ATOM 0 HA VAL B 574 67.187 15.855 8.677 1.00 0.00 H new ATOM 0 HB VAL B 574 69.726 16.117 8.327 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.658 18.580 8.143 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.145 17.849 7.555 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.197 18.620 9.159 1.00 0.00 H new ATOM 0 HG21 VAL B 574 70.941 17.474 10.017 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.491 17.485 11.050 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.342 15.956 10.727 1.00 0.00 H new ATOM 2069 N CYS B 575 68.901 13.768 8.893 1.00 0.00 N ATOM 2070 CA CYS B 575 69.406 12.378 9.141 1.00 0.00 C ATOM 2071 C CYS B 575 70.788 12.498 9.740 1.00 0.00 C ATOM 2072 O CYS B 575 71.544 13.359 9.336 1.00 0.00 O ATOM 2073 CB CYS B 575 69.481 11.617 7.798 1.00 0.00 C ATOM 2074 SG CYS B 575 71.079 10.769 7.571 1.00 0.00 S ATOM 0 H CYS B 575 69.009 14.093 7.932 1.00 0.00 H new ATOM 0 HA CYS B 575 68.744 11.835 9.815 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.674 10.885 7.752 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.324 12.317 6.977 1.00 0.00 H new ATOM 2079 N ALA B 576 71.170 11.653 10.673 1.00 0.00 N ATOM 2080 CA ALA B 576 72.562 11.827 11.186 1.00 0.00 C ATOM 2081 C ALA B 576 73.509 10.953 10.348 1.00 0.00 C ATOM 2082 O ALA B 576 74.089 9.992 10.813 1.00 0.00 O ATOM 2083 CB ALA B 576 72.600 11.370 12.657 1.00 0.00 C ATOM 0 H ALA B 576 70.617 10.898 11.078 1.00 0.00 H new ATOM 0 HA ALA B 576 72.871 12.870 11.116 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.610 11.490 13.049 1.00 0.00 H new ATOM 0 HB2 ALA B 576 71.909 11.975 13.244 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.308 10.322 12.720 1.00 0.00 H new ATOM 2089 N PHE B 577 73.741 11.391 9.138 1.00 0.00 N ATOM 2090 CA PHE B 577 74.731 10.764 8.212 1.00 0.00 C ATOM 2091 C PHE B 577 75.080 11.866 7.224 1.00 0.00 C ATOM 2092 O PHE B 577 76.190 12.038 6.775 1.00 0.00 O ATOM 2093 CB PHE B 577 74.169 9.488 7.535 1.00 0.00 C ATOM 2094 CG PHE B 577 75.241 8.385 7.467 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.498 7.728 6.250 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.985 8.020 8.612 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.477 6.731 6.179 1.00 0.00 C ATOM 2098 CE2 PHE B 577 76.960 7.020 8.530 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.206 6.378 7.317 1.00 0.00 C ATOM 0 H PHE B 577 73.261 12.196 8.737 1.00 0.00 H new ATOM 0 HA PHE B 577 75.619 10.406 8.733 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.304 9.127 8.092 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.823 9.727 6.529 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.937 7.994 5.366 1.00 0.00 H new ATOM 0 HD2 PHE B 577 75.800 8.515 9.554 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.670 6.232 5.241 1.00 0.00 H new ATOM 0 HE2 PHE B 577 77.524 6.744 9.409 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.960 5.608 7.257 1.00 0.00 H new ATOM 2109 N CYS B 578 74.068 12.623 6.908 1.00 0.00 N ATOM 2110 CA CYS B 578 74.184 13.772 5.981 1.00 0.00 C ATOM 2111 C CYS B 578 73.373 14.896 6.624 1.00 0.00 C ATOM 2112 O CYS B 578 72.208 15.090 6.347 1.00 0.00 O ATOM 2113 CB CYS B 578 73.618 13.396 4.607 1.00 0.00 C ATOM 2114 SG CYS B 578 71.854 13.014 4.735 1.00 0.00 S ATOM 0 H CYS B 578 73.126 12.481 7.273 1.00 0.00 H new ATOM 0 HA CYS B 578 75.219 14.074 5.822 1.00 0.00 H new ATOM 0 HB2 CYS B 578 73.769 14.218 3.907 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.155 12.535 4.208 1.00 0.00 H new ATOM 2119 N LEU B 579 73.982 15.580 7.544 1.00 0.00 N ATOM 2120 CA LEU B 579 73.288 16.649 8.304 1.00 0.00 C ATOM 2121 C LEU B 579 72.577 17.675 7.393 1.00 0.00 C ATOM 2122 O LEU B 579 72.215 18.732 7.872 1.00 0.00 O ATOM 2123 CB LEU B 579 74.306 17.388 9.227 1.00 0.00 C ATOM 2124 CG LEU B 579 75.777 17.160 8.786 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.281 15.759 9.229 1.00 0.00 C ATOM 2126 CD2 LEU B 579 75.941 17.353 7.257 1.00 0.00 C ATOM 0 H LEU B 579 74.957 15.439 7.808 1.00 0.00 H new ATOM 0 HA LEU B 579 72.517 16.161 8.900 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.089 18.456 9.221 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.179 17.043 10.253 1.00 0.00 H new ATOM 0 HG LEU B 579 76.392 17.910 9.283 1.00 0.00 H new ATOM 0 HD11 LEU B 579 77.314 15.625 8.907 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.226 15.679 10.315 1.00 0.00 H new ATOM 0 HD13 LEU B 579 75.657 14.988 8.776 1.00 0.00 H new ATOM 0 HD21 LEU B 579 76.982 17.187 6.979 1.00 0.00 H new ATOM 0 HD22 LEU B 579 75.306 16.640 6.730 1.00 0.00 H new ATOM 0 HD23 LEU B 579 75.650 18.368 6.985 1.00 0.00 H new ATOM 2138 N LYS B 580 72.376 17.432 6.107 1.00 0.00 N ATOM 2139 CA LYS B 580 71.701 18.502 5.291 1.00 0.00 C ATOM 2140 C LYS B 580 70.187 18.282 5.146 1.00 0.00 C ATOM 2141 O LYS B 580 69.439 19.239 5.186 1.00 0.00 O ATOM 2142 CB LYS B 580 72.366 18.553 3.881 1.00 0.00 C ATOM 2143 CG LYS B 580 71.650 17.663 2.828 1.00 0.00 C ATOM 2144 CD LYS B 580 71.869 16.177 3.146 1.00 0.00 C ATOM 2145 CE LYS B 580 70.740 15.340 2.540 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.406 15.859 1.184 1.00 0.00 N ATOM 0 H LYS B 580 72.637 16.581 5.609 1.00 0.00 H new ATOM 0 HA LYS B 580 71.828 19.448 5.817 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.374 19.584 3.529 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.406 18.237 3.966 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.583 17.886 2.819 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.031 17.888 1.832 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.829 15.849 2.748 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.904 16.029 4.225 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.043 14.295 2.476 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.860 15.378 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.983 15.098 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.729 16.644 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.272 16.198 0.719 1.00 0.00 H new ATOM 2160 N GLN B 581 69.686 17.074 4.987 1.00 0.00 N ATOM 2161 CA GLN B 581 68.196 16.964 4.864 1.00 0.00 C ATOM 2162 C GLN B 581 67.610 15.581 5.141 1.00 0.00 C ATOM 2163 O GLN B 581 68.101 14.565 4.690 1.00 0.00 O ATOM 2164 CB GLN B 581 67.750 17.442 3.488 1.00 0.00 C ATOM 2165 CG GLN B 581 66.243 17.727 3.506 1.00 0.00 C ATOM 2166 CD GLN B 581 65.975 19.026 4.259 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.758 20.058 3.657 1.00 0.00 O ATOM 2168 NE2 GLN B 581 65.983 19.021 5.560 1.00 0.00 N ATOM 0 H GLN B 581 70.214 16.203 4.939 1.00 0.00 H new ATOM 0 HA GLN B 581 67.804 17.604 5.654 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.297 18.343 3.210 1.00 0.00 H new ATOM 0 HB3 GLN B 581 67.978 16.685 2.737 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.865 17.802 2.486 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.713 16.903 3.983 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.165 18.154 6.066 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.807 19.884 6.074 1.00 0.00 H new ATOM 2177 N LEU B 582 66.489 15.578 5.812 1.00 0.00 N ATOM 2178 CA LEU B 582 65.729 14.320 6.075 1.00 0.00 C ATOM 2179 C LEU B 582 64.248 14.598 5.793 1.00 0.00 C ATOM 2180 O LEU B 582 63.851 15.729 5.596 1.00 0.00 O ATOM 2181 CB LEU B 582 65.913 13.918 7.528 1.00 0.00 C ATOM 2182 CG LEU B 582 65.406 12.491 7.803 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.138 11.478 6.898 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.658 12.158 9.286 1.00 0.00 C ATOM 0 H LEU B 582 66.057 16.417 6.199 1.00 0.00 H new ATOM 0 HA LEU B 582 66.087 13.511 5.439 1.00 0.00 H new ATOM 0 HB2 LEU B 582 66.969 13.984 7.791 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.380 14.621 8.168 1.00 0.00 H new ATOM 0 HG LEU B 582 64.340 12.431 7.585 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.769 10.473 7.104 1.00 0.00 H new ATOM 0 HD12 LEU B 582 65.954 11.725 5.852 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.209 11.519 7.098 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.304 11.149 9.498 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.726 12.219 9.496 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.123 12.870 9.915 1.00 0.00 H new ATOM 2196 N ASN B 583 63.428 13.583 5.769 1.00 0.00 N ATOM 2197 CA ASN B 583 61.971 13.793 5.493 1.00 0.00 C ATOM 2198 C ASN B 583 61.153 12.798 6.317 1.00 0.00 C ATOM 2199 O ASN B 583 61.403 11.611 6.301 1.00 0.00 O ATOM 2200 CB ASN B 583 61.698 13.564 4.000 1.00 0.00 C ATOM 2201 CG ASN B 583 62.111 14.794 3.199 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.386 15.838 3.754 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.159 14.710 1.903 1.00 0.00 N ATOM 0 H ASN B 583 63.701 12.613 5.929 1.00 0.00 H new ATOM 0 HA ASN B 583 61.690 14.811 5.763 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.249 12.691 3.651 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.639 13.356 3.843 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.428 15.523 1.349 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.927 13.831 1.440 1.00 0.00 H new ATOM 2210 N LYS B 584 60.172 13.277 7.032 1.00 0.00 N ATOM 2211 CA LYS B 584 59.334 12.371 7.857 1.00 0.00 C ATOM 2212 C LYS B 584 58.781 11.251 6.982 1.00 0.00 C ATOM 2213 O LYS B 584 58.301 10.245 7.464 1.00 0.00 O ATOM 2214 CB LYS B 584 58.162 13.169 8.421 1.00 0.00 C ATOM 2215 CG LYS B 584 57.393 13.874 7.260 1.00 0.00 C ATOM 2216 CD LYS B 584 55.887 13.616 7.378 1.00 0.00 C ATOM 2217 CE LYS B 584 55.328 14.346 8.601 1.00 0.00 C ATOM 2218 NZ LYS B 584 55.476 15.817 8.411 1.00 0.00 N ATOM 0 H LYS B 584 59.916 14.263 7.078 1.00 0.00 H new ATOM 0 HA LYS B 584 59.934 11.948 8.663 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.489 12.507 8.966 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.525 13.911 9.132 1.00 0.00 H new ATOM 0 HG2 LYS B 584 57.587 14.946 7.286 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.756 13.507 6.300 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.379 13.957 6.476 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.698 12.546 7.465 1.00 0.00 H new ATOM 0 HE2 LYS B 584 54.278 14.090 8.742 1.00 0.00 H new ATOM 0 HE3 LYS B 584 55.857 14.029 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 55.952 16.228 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 56.043 16.002 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 54.536 16.249 8.301 1.00 0.00 H new ATOM 2232 N GLY B 585 58.832 11.431 5.694 1.00 0.00 N ATOM 2233 CA GLY B 585 58.302 10.398 4.767 1.00 0.00 C ATOM 2234 C GLY B 585 59.418 9.429 4.429 1.00 0.00 C ATOM 2235 O GLY B 585 59.194 8.330 3.963 1.00 0.00 O ATOM 0 H GLY B 585 59.222 12.257 5.240 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.469 9.868 5.228 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.920 10.865 3.860 1.00 0.00 H new ATOM 2239 N THR B 586 60.625 9.842 4.672 1.00 0.00 N ATOM 2240 CA THR B 586 61.803 8.979 4.388 1.00 0.00 C ATOM 2241 C THR B 586 62.756 9.057 5.568 1.00 0.00 C ATOM 2242 O THR B 586 63.953 8.911 5.423 1.00 0.00 O ATOM 2243 CB THR B 586 62.503 9.481 3.128 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.354 10.570 3.464 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.446 9.945 2.127 1.00 0.00 C ATOM 0 H THR B 586 60.851 10.757 5.062 1.00 0.00 H new ATOM 0 HA THR B 586 61.487 7.947 4.235 1.00 0.00 H new ATOM 0 HB THR B 586 63.099 8.681 2.689 1.00 0.00 H new ATOM 0 HG1 THR B 586 63.806 10.893 2.657 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.935 10.306 1.222 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.791 9.111 1.877 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.857 10.750 2.567 1.00 0.00 H new ATOM 2253 N PHE B 587 62.235 9.292 6.746 1.00 0.00 N ATOM 2254 CA PHE B 587 63.131 9.383 7.939 1.00 0.00 C ATOM 2255 C PHE B 587 63.316 7.993 8.554 1.00 0.00 C ATOM 2256 O PHE B 587 62.445 7.435 9.193 1.00 0.00 O ATOM 2257 CB PHE B 587 62.565 10.374 8.975 1.00 0.00 C ATOM 2258 CG PHE B 587 61.497 9.729 9.847 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.644 9.715 11.242 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.362 9.151 9.262 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.661 9.126 12.046 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.380 8.561 10.068 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.529 8.549 11.459 1.00 0.00 C ATOM 0 H PHE B 587 61.241 9.423 6.932 1.00 0.00 H new ATOM 0 HA PHE B 587 64.104 9.758 7.622 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.374 10.744 9.605 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.142 11.237 8.460 1.00 0.00 H new ATOM 0 HD1 PHE B 587 62.517 10.159 11.697 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.244 9.161 8.188 1.00 0.00 H new ATOM 0 HE1 PHE B 587 60.776 9.117 13.120 1.00 0.00 H new ATOM 0 HE2 PHE B 587 58.507 8.115 9.615 1.00 0.00 H new ATOM 0 HZ PHE B 587 58.771 8.095 12.080 1.00 0.00 H new ATOM 2273 N LYS B 588 64.472 7.447 8.344 1.00 0.00 N ATOM 2274 CA LYS B 588 64.823 6.102 8.875 1.00 0.00 C ATOM 2275 C LYS B 588 65.625 6.315 10.164 1.00 0.00 C ATOM 2276 O LYS B 588 66.038 7.416 10.464 1.00 0.00 O ATOM 2277 CB LYS B 588 65.664 5.379 7.789 1.00 0.00 C ATOM 2278 CG LYS B 588 65.211 3.919 7.535 1.00 0.00 C ATOM 2279 CD LYS B 588 63.689 3.757 7.285 1.00 0.00 C ATOM 2280 CE LYS B 588 63.086 4.956 6.540 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.863 4.514 5.811 1.00 0.00 N ATOM 0 H LYS B 588 65.217 7.891 7.807 1.00 0.00 H new ATOM 0 HA LYS B 588 63.948 5.493 9.103 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.600 5.940 6.856 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.712 5.380 8.090 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.752 3.528 6.674 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.493 3.309 8.393 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.513 2.849 6.708 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.178 3.632 8.240 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.837 5.750 7.244 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.813 5.368 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.450 5.323 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.115 3.770 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.170 4.141 6.490 1.00 0.00 H new ATOM 2295 N GLU B 589 65.835 5.289 10.939 1.00 0.00 N ATOM 2296 CA GLU B 589 66.595 5.473 12.211 1.00 0.00 C ATOM 2297 C GLU B 589 67.309 4.186 12.599 1.00 0.00 C ATOM 2298 O GLU B 589 66.936 3.091 12.227 1.00 0.00 O ATOM 2299 CB GLU B 589 65.631 5.901 13.334 1.00 0.00 C ATOM 2300 CG GLU B 589 66.243 5.643 14.721 1.00 0.00 C ATOM 2301 CD GLU B 589 65.422 6.377 15.784 1.00 0.00 C ATOM 2302 OE1 GLU B 589 64.649 5.724 16.464 1.00 0.00 O ATOM 2303 OE2 GLU B 589 65.580 7.582 15.898 1.00 0.00 O ATOM 0 H GLU B 589 65.518 4.338 10.752 1.00 0.00 H new ATOM 0 HA GLU B 589 67.344 6.251 12.063 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.394 6.960 13.229 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.693 5.354 13.240 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.257 4.574 14.931 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.277 5.986 14.744 1.00 0.00 H new ATOM 2310 N GLN B 590 68.327 4.349 13.376 1.00 0.00 N ATOM 2311 CA GLN B 590 69.120 3.210 13.873 1.00 0.00 C ATOM 2312 C GLN B 590 69.840 3.700 15.123 1.00 0.00 C ATOM 2313 O GLN B 590 70.204 4.854 15.222 1.00 0.00 O ATOM 2314 CB GLN B 590 70.142 2.759 12.813 1.00 0.00 C ATOM 2315 CG GLN B 590 70.601 1.307 13.094 1.00 0.00 C ATOM 2316 CD GLN B 590 69.814 0.320 12.223 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.603 0.378 12.158 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.462 -0.591 11.549 1.00 0.00 N ATOM 0 H GLN B 590 68.654 5.260 13.699 1.00 0.00 H new ATOM 0 HA GLN B 590 68.481 2.354 14.092 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.698 2.822 11.820 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.003 3.428 12.820 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.668 1.210 12.891 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.454 1.070 14.148 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.479 -0.639 11.604 1.00 0.00 H new ATOM 0 HE22 GLN B 590 69.951 -1.255 10.967 1.00 0.00 H new ATOM 2327 N ASN B 591 70.041 2.852 16.082 1.00 0.00 N ATOM 2328 CA ASN B 591 70.729 3.284 17.331 1.00 0.00 C ATOM 2329 C ASN B 591 70.121 4.611 17.834 1.00 0.00 C ATOM 2330 O ASN B 591 70.745 5.328 18.585 1.00 0.00 O ATOM 2331 CB ASN B 591 72.259 3.434 17.092 1.00 0.00 C ATOM 2332 CG ASN B 591 72.570 3.533 15.603 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.142 4.502 15.147 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.210 2.560 14.825 1.00 0.00 N ATOM 0 H ASN B 591 69.759 1.872 16.060 1.00 0.00 H new ATOM 0 HA ASN B 591 70.582 2.520 18.095 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.626 4.324 17.604 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.784 2.580 17.521 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.407 2.607 13.825 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.730 1.748 15.213 1.00 0.00 H new ATOM 2341 N ASP B 592 68.899 4.916 17.441 1.00 0.00 N ATOM 2342 CA ASP B 592 68.205 6.170 17.909 1.00 0.00 C ATOM 2343 C ASP B 592 68.658 7.385 17.101 1.00 0.00 C ATOM 2344 O ASP B 592 68.167 8.481 17.286 1.00 0.00 O ATOM 2345 CB ASP B 592 68.505 6.431 19.391 1.00 0.00 C ATOM 2346 CG ASP B 592 68.549 5.107 20.158 1.00 0.00 C ATOM 2347 OD1 ASP B 592 67.525 4.448 20.223 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.606 4.776 20.669 1.00 0.00 O ATOM 0 H ASP B 592 68.345 4.341 16.806 1.00 0.00 H new ATOM 0 HA ASP B 592 67.135 6.020 17.767 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.458 6.951 19.491 1.00 0.00 H new ATOM 0 HB3 ASP B 592 67.741 7.082 19.816 1.00 0.00 H new ATOM 2353 N LYS B 593 69.588 7.210 16.222 1.00 0.00 N ATOM 2354 CA LYS B 593 70.076 8.355 15.416 1.00 0.00 C ATOM 2355 C LYS B 593 69.228 8.469 14.137 1.00 0.00 C ATOM 2356 O LYS B 593 69.161 7.523 13.378 1.00 0.00 O ATOM 2357 CB LYS B 593 71.517 8.076 15.020 1.00 0.00 C ATOM 2358 CG LYS B 593 72.327 7.622 16.235 1.00 0.00 C ATOM 2359 CD LYS B 593 73.821 7.756 15.915 1.00 0.00 C ATOM 2360 CE LYS B 593 74.658 7.189 17.065 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.697 8.170 18.186 1.00 0.00 N ATOM 0 H LYS B 593 70.038 6.317 16.022 1.00 0.00 H new ATOM 0 HA LYS B 593 70.005 9.279 15.990 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.546 7.307 14.248 1.00 0.00 H new ATOM 0 HB3 LYS B 593 71.963 8.974 14.593 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.072 8.227 17.105 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.086 6.588 16.484 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.052 7.226 14.991 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.074 8.804 15.753 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.232 6.246 17.408 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.670 6.975 16.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.266 7.783 18.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.123 9.059 17.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.730 8.353 18.521 1.00 0.00 H new ATOM 2375 N PRO B 594 68.597 9.592 13.855 1.00 0.00 N ATOM 2376 CA PRO B 594 67.804 9.693 12.603 1.00 0.00 C ATOM 2377 C PRO B 594 68.611 9.189 11.402 1.00 0.00 C ATOM 2378 O PRO B 594 69.808 9.000 11.492 1.00 0.00 O ATOM 2379 CB PRO B 594 67.534 11.198 12.531 1.00 0.00 C ATOM 2380 CG PRO B 594 67.665 11.755 13.949 1.00 0.00 C ATOM 2381 CD PRO B 594 68.605 10.813 14.719 1.00 0.00 C ATOM 0 HA PRO B 594 66.896 9.091 12.591 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.244 11.683 11.861 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.537 11.390 12.134 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.066 12.768 13.929 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.690 11.808 14.434 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.606 11.232 14.824 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.239 10.604 15.724 1.00 0.00 H new ATOM 2389 N TYR B 595 67.979 8.939 10.290 1.00 0.00 N ATOM 2390 CA TYR B 595 68.753 8.413 9.127 1.00 0.00 C ATOM 2391 C TYR B 595 67.903 8.407 7.853 1.00 0.00 C ATOM 2392 O TYR B 595 66.765 8.006 7.868 1.00 0.00 O ATOM 2393 CB TYR B 595 69.132 6.942 9.408 1.00 0.00 C ATOM 2394 CG TYR B 595 70.453 6.815 10.131 1.00 0.00 C ATOM 2395 CD1 TYR B 595 71.612 7.312 9.542 1.00 0.00 C ATOM 2396 CD2 TYR B 595 70.524 6.166 11.373 1.00 0.00 C ATOM 2397 CE1 TYR B 595 72.841 7.169 10.189 1.00 0.00 C ATOM 2398 CE2 TYR B 595 71.759 6.026 12.018 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.916 6.527 11.424 1.00 0.00 C ATOM 2400 OH TYR B 595 74.135 6.390 12.058 1.00 0.00 O ATOM 0 H TYR B 595 66.980 9.072 10.135 1.00 0.00 H new ATOM 0 HA TYR B 595 69.627 9.050 8.991 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.348 6.475 10.005 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.183 6.396 8.466 1.00 0.00 H new ATOM 0 HD1 TYR B 595 71.561 7.808 8.584 1.00 0.00 H new ATOM 0 HD2 TYR B 595 69.627 5.775 11.831 1.00 0.00 H new ATOM 0 HE1 TYR B 595 73.738 7.558 9.730 1.00 0.00 H new ATOM 0 HE2 TYR B 595 71.815 5.530 12.976 1.00 0.00 H new ATOM 0 HH TYR B 595 74.010 5.920 12.909 1.00 0.00 H new ATOM 2410 N CYS B 596 68.480 8.737 6.732 1.00 0.00 N ATOM 2411 CA CYS B 596 67.705 8.612 5.469 1.00 0.00 C ATOM 2412 C CYS B 596 67.748 7.137 5.139 1.00 0.00 C ATOM 2413 O CYS B 596 68.676 6.450 5.521 1.00 0.00 O ATOM 2414 CB CYS B 596 68.347 9.376 4.301 1.00 0.00 C ATOM 2415 SG CYS B 596 68.763 11.062 4.771 1.00 0.00 S ATOM 0 H CYS B 596 69.435 9.081 6.636 1.00 0.00 H new ATOM 0 HA CYS B 596 66.703 9.020 5.603 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.247 8.855 3.974 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.662 9.391 3.453 1.00 0.00 H new ATOM 2420 N GLN B 597 66.803 6.624 4.429 1.00 0.00 N ATOM 2421 CA GLN B 597 66.891 5.190 4.103 1.00 0.00 C ATOM 2422 C GLN B 597 68.174 5.012 3.288 1.00 0.00 C ATOM 2423 O GLN B 597 69.051 4.249 3.636 1.00 0.00 O ATOM 2424 CB GLN B 597 65.626 4.769 3.322 1.00 0.00 C ATOM 2425 CG GLN B 597 65.878 3.556 2.408 1.00 0.00 C ATOM 2426 CD GLN B 597 65.719 2.262 3.204 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.343 1.241 2.664 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.997 2.265 4.473 1.00 0.00 N ATOM 0 H GLN B 597 65.989 7.121 4.066 1.00 0.00 H new ATOM 0 HA GLN B 597 66.934 4.556 4.989 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.830 4.530 4.027 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.278 5.608 2.720 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.178 3.568 1.573 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.881 3.611 1.984 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.313 3.124 4.924 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.900 1.409 5.018 1.00 0.00 H new ATOM 2437 N ASN B 598 68.280 5.730 2.208 1.00 0.00 N ATOM 2438 CA ASN B 598 69.485 5.640 1.347 1.00 0.00 C ATOM 2439 C ASN B 598 70.745 5.660 2.217 1.00 0.00 C ATOM 2440 O ASN B 598 71.742 5.030 1.912 1.00 0.00 O ATOM 2441 CB ASN B 598 69.499 6.838 0.383 1.00 0.00 C ATOM 2442 CG ASN B 598 68.072 7.198 -0.002 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.647 8.326 0.152 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.312 6.274 -0.500 1.00 0.00 N ATOM 0 H ASN B 598 67.570 6.386 1.882 1.00 0.00 H new ATOM 0 HA ASN B 598 69.463 4.710 0.778 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.986 7.692 0.854 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.077 6.594 -0.509 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.351 6.492 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.674 5.329 -0.627 1.00 0.00 H new ATOM 2451 N CYS B 599 70.702 6.379 3.301 1.00 0.00 N ATOM 2452 CA CYS B 599 71.881 6.457 4.194 1.00 0.00 C ATOM 2453 C CYS B 599 71.968 5.198 5.057 1.00 0.00 C ATOM 2454 O CYS B 599 72.922 4.461 4.983 1.00 0.00 O ATOM 2455 CB CYS B 599 71.737 7.677 5.109 1.00 0.00 C ATOM 2456 SG CYS B 599 71.990 9.199 4.160 1.00 0.00 S ATOM 0 H CYS B 599 69.893 6.919 3.606 1.00 0.00 H new ATOM 0 HA CYS B 599 72.783 6.543 3.589 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.747 7.684 5.566 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.462 7.620 5.921 1.00 0.00 H new ATOM 2461 N PHE B 600 70.981 4.977 5.888 1.00 0.00 N ATOM 2462 CA PHE B 600 70.980 3.800 6.808 1.00 0.00 C ATOM 2463 C PHE B 600 71.091 2.476 6.044 1.00 0.00 C ATOM 2464 O PHE B 600 71.856 1.608 6.416 1.00 0.00 O ATOM 2465 CB PHE B 600 69.667 3.847 7.633 1.00 0.00 C ATOM 2466 CG PHE B 600 69.016 2.480 7.751 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.164 2.024 6.737 1.00 0.00 C ATOM 2468 CD2 PHE B 600 69.265 1.675 8.868 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.562 0.765 6.840 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.662 0.416 8.970 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.811 -0.039 7.957 1.00 0.00 C ATOM 0 H PHE B 600 70.159 5.576 5.969 1.00 0.00 H new ATOM 0 HA PHE B 600 71.850 3.851 7.463 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.879 4.234 8.630 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.969 4.541 7.164 1.00 0.00 H new ATOM 0 HD1 PHE B 600 67.971 2.645 5.875 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.922 2.025 9.651 1.00 0.00 H new ATOM 0 HE1 PHE B 600 66.905 0.414 6.057 1.00 0.00 H new ATOM 0 HE2 PHE B 600 68.854 -0.205 9.832 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.347 -1.011 8.038 1.00 0.00 H new ATOM 2481 N LEU B 601 70.320 2.285 5.017 1.00 0.00 N ATOM 2482 CA LEU B 601 70.381 1.006 4.304 1.00 0.00 C ATOM 2483 C LEU B 601 71.825 0.771 3.854 1.00 0.00 C ATOM 2484 O LEU B 601 72.397 -0.273 4.093 1.00 0.00 O ATOM 2485 CB LEU B 601 69.348 1.059 3.137 1.00 0.00 C ATOM 2486 CG LEU B 601 70.011 0.965 1.743 1.00 0.00 C ATOM 2487 CD1 LEU B 601 68.980 0.478 0.730 1.00 0.00 C ATOM 2488 CD2 LEU B 601 70.577 2.333 1.281 1.00 0.00 C ATOM 0 H LEU B 601 69.654 2.964 4.648 1.00 0.00 H new ATOM 0 HA LEU B 601 70.111 0.156 4.931 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.636 0.242 3.251 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.781 1.987 3.202 1.00 0.00 H new ATOM 0 HG LEU B 601 70.843 0.264 1.811 1.00 0.00 H new ATOM 0 HD11 LEU B 601 69.442 0.410 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 601 68.613 -0.504 1.028 1.00 0.00 H new ATOM 0 HD13 LEU B 601 68.147 1.180 0.692 1.00 0.00 H new ATOM 0 HD21 LEU B 601 71.034 2.224 0.298 1.00 0.00 H new ATOM 0 HD22 LEU B 601 69.768 3.062 1.227 1.00 0.00 H new ATOM 0 HD23 LEU B 601 71.327 2.676 1.994 1.00 0.00 H new ATOM 2500 N LYS B 602 72.411 1.730 3.200 1.00 0.00 N ATOM 2501 CA LYS B 602 73.811 1.563 2.728 1.00 0.00 C ATOM 2502 C LYS B 602 74.674 0.972 3.848 1.00 0.00 C ATOM 2503 O LYS B 602 75.691 0.361 3.603 1.00 0.00 O ATOM 2504 CB LYS B 602 74.364 2.932 2.312 1.00 0.00 C ATOM 2505 CG LYS B 602 75.617 2.757 1.453 1.00 0.00 C ATOM 2506 CD LYS B 602 75.920 4.075 0.728 1.00 0.00 C ATOM 2507 CE LYS B 602 77.339 4.056 0.109 1.00 0.00 C ATOM 2508 NZ LYS B 602 78.020 5.346 0.412 1.00 0.00 N ATOM 0 H LYS B 602 71.980 2.626 2.971 1.00 0.00 H new ATOM 0 HA LYS B 602 73.831 0.884 1.876 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.607 3.484 1.755 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.601 3.521 3.198 1.00 0.00 H new ATOM 0 HG2 LYS B 602 76.463 2.469 2.077 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.467 1.956 0.729 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.180 4.241 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.836 4.906 1.428 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.914 3.223 0.513 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.277 3.908 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.328 5.793 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.360 5.979 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.848 5.168 1.016 1.00 0.00 H new ATOM 2522 N LEU B 603 74.284 1.167 5.081 1.00 0.00 N ATOM 2523 CA LEU B 603 75.095 0.635 6.228 1.00 0.00 C ATOM 2524 C LEU B 603 74.557 -0.722 6.705 1.00 0.00 C ATOM 2525 O LEU B 603 75.279 -1.698 6.750 1.00 0.00 O ATOM 2526 CB LEU B 603 75.079 1.660 7.384 1.00 0.00 C ATOM 2527 CG LEU B 603 74.724 3.054 6.851 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.682 4.038 8.009 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.770 3.538 5.827 1.00 0.00 C ATOM 0 H LEU B 603 73.439 1.672 5.348 1.00 0.00 H new ATOM 0 HA LEU B 603 76.121 0.482 5.892 1.00 0.00 H new ATOM 0 HB2 LEU B 603 74.354 1.356 8.139 1.00 0.00 H new ATOM 0 HB3 LEU B 603 76.054 1.686 7.870 1.00 0.00 H new ATOM 0 HG LEU B 603 73.752 2.996 6.361 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.430 5.030 7.634 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.929 3.720 8.730 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.657 4.070 8.494 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.494 4.528 5.465 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.750 3.585 6.302 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.807 2.843 4.988 1.00 0.00 H new ATOM 2541 N PHE B 604 73.303 -0.788 7.082 1.00 0.00 N ATOM 2542 CA PHE B 604 72.729 -2.081 7.580 1.00 0.00 C ATOM 2543 C PHE B 604 71.968 -2.795 6.455 1.00 0.00 C ATOM 2544 O PHE B 604 71.120 -3.628 6.705 1.00 0.00 O ATOM 2545 CB PHE B 604 71.776 -1.790 8.753 1.00 0.00 C ATOM 2546 CG PHE B 604 72.571 -1.618 10.030 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.087 -0.362 10.377 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.794 -2.720 10.865 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.824 -0.210 11.557 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.531 -2.567 12.045 1.00 0.00 C ATOM 2551 CZ PHE B 604 74.046 -1.313 12.391 1.00 0.00 C ATOM 0 H PHE B 604 72.651 -0.004 7.067 1.00 0.00 H new ATOM 0 HA PHE B 604 73.539 -2.729 7.915 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.199 -0.888 8.549 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.063 -2.607 8.865 1.00 0.00 H new ATOM 0 HD1 PHE B 604 72.916 0.489 9.734 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.397 -3.688 10.598 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.222 0.758 11.824 1.00 0.00 H new ATOM 0 HE2 PHE B 604 73.702 -3.417 12.689 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.615 -1.196 13.301 1.00 0.00 H new ATOM 2561 N CYS B 605 72.274 -2.491 5.222 1.00 0.00 N ATOM 2562 CA CYS B 605 71.574 -3.168 4.088 1.00 0.00 C ATOM 2563 C CYS B 605 72.477 -3.153 2.854 1.00 0.00 C ATOM 2564 O CYS B 605 72.019 -2.712 1.813 1.00 0.00 O ATOM 2565 CB CYS B 605 70.267 -2.437 3.770 1.00 0.00 C ATOM 2566 SG CYS B 605 69.258 -2.315 5.268 1.00 0.00 S ATOM 2567 OXT CYS B 605 73.613 -3.583 2.971 1.00 0.00 O ATOM 0 H CYS B 605 72.977 -1.804 4.950 1.00 0.00 H new ATOM 0 HA CYS B 605 71.350 -4.197 4.368 1.00 0.00 H new ATOM 0 HB2 CYS B 605 70.481 -1.441 3.382 1.00 0.00 H new ATOM 0 HB3 CYS B 605 69.720 -2.971 2.993 1.00 0.00 H new ATOM 0 HG CYS B 605 69.760 -3.079 6.193 1.00 0.00 H new TER 2573 CYS B 605 HETATM 2574 ZN ZN B 701 64.352 24.544 14.537 1.00 0.00 ZN HETATM 2575 ZN ZN B 702 70.999 10.951 5.281 1.00 0.00 ZN