USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 943 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: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 109 CYS SG : rot 180:sc= -0.068 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 94 ASN : amide:sc= -0.0475 X(o=0.05,f=0.13) USER MOD Set 2.2: A 96 SER OG : rot -152:sc= 0.0972 USER MOD Set 3.1: A 53 SER OG : rot 36:sc= 0.233 USER MOD Set 3.2: A 68 ASN : amide:sc= 0 K(o=0.23,f=1.1) USER MOD Set 4.1: A 16 GLN : amide:sc= 0 K(o=-6.5,f=-3.4) USER MOD Set 4.2: A 113 GLN : amide:sc= -6.52! C(o=-6.5!,f=-3.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.35) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0577 (180deg=-0.257) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.59! X(o=-1.6!,f=-2) USER MOD Single : A 32 GLN : amide:sc= -2.7! C(o=-2.7!,f=-6.2!) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.04) USER MOD Single : A 36 THR OG1 : rot -63:sc= 0.994 USER MOD Single : A 38 ASN : amide:sc= -0.0779 K(o=-0.078,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0669 (180deg=-0.513) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 2.42 (180deg=2.18) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= 1.21 (180deg=-0.465) USER MOD Single : A 62 HIS : no HE2:sc= -2.34! C(o=-2.3!,f=-3.7!) USER MOD Single : A 63 GLN : amide:sc= -3.55! C(o=-3.5!,f=-11!) USER MOD Single : A 69 SER OG : rot -80:sc= 1.92 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 72 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.01) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 31:sc= 1.04 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -1.19 USER MOD Single : A 91 SER OG : rot 180:sc= 1.06 USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -7.09! C(o=-7.1!,f=-6.6!) USER MOD Single : A 107 GLN : amide:sc= -0.724 K(o=-0.72,f=-1.3) USER MOD Single : A 108 TYR OH : rot 51:sc= -1 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.809 K(o=-0.81,f=-5.2!) USER MOD Single : A 116 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.1!) USER MOD Single : A 120 TYR OH : rot 0:sc= -2.34! USER MOD Single : A 123 LYS NZ :NH3+ -163:sc= -0.0637 (180deg=-0.357) USER MOD Single : A 124 GLN : amide:sc= 0.435 K(o=0.44,f=-0.67) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 10.865 -21.230 -5.306 1.00 0.00 N ATOM 2 CA PRO A 5 9.965 -20.698 -4.334 1.00 0.00 C ATOM 3 C PRO A 5 8.881 -19.890 -4.986 1.00 0.00 C ATOM 4 O PRO A 5 9.071 -19.288 -6.038 1.00 0.00 O ATOM 5 CB PRO A 5 10.826 -19.800 -3.476 1.00 0.00 C ATOM 6 CG PRO A 5 11.961 -19.414 -4.362 1.00 0.00 C ATOM 7 CD PRO A 5 12.162 -20.551 -5.293 1.00 0.00 C ATOM 0 HA PRO A 5 9.469 -21.486 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.272 -18.925 -3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.177 -20.320 -2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.735 -18.498 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.862 -19.223 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.443 -20.207 -6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.956 -21.213 -4.949 1.00 0.00 H new ATOM 15 N VAL A 6 7.774 -19.899 -4.376 1.00 0.00 N ATOM 16 CA VAL A 6 6.642 -19.183 -4.814 1.00 0.00 C ATOM 17 C VAL A 6 6.112 -18.555 -3.587 1.00 0.00 C ATOM 18 O VAL A 6 6.605 -18.817 -2.480 1.00 0.00 O ATOM 19 CB VAL A 6 5.495 -20.107 -5.313 1.00 0.00 C ATOM 20 CG1 VAL A 6 4.693 -19.468 -6.395 1.00 0.00 C ATOM 21 CG2 VAL A 6 5.943 -21.467 -5.696 1.00 0.00 C ATOM 0 H VAL A 6 7.616 -20.427 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 6 6.932 -18.514 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 6 4.843 -20.244 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.903 -20.149 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.248 -18.545 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.340 -19.242 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.086 -22.051 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.673 -21.396 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.399 -21.956 -4.835 1.00 0.00 H new ATOM 31 N CYS A 7 5.135 -17.786 -3.740 1.00 0.00 N ATOM 32 CA CYS A 7 4.444 -17.299 -2.647 1.00 0.00 C ATOM 33 C CYS A 7 3.187 -18.117 -2.541 1.00 0.00 C ATOM 34 O CYS A 7 2.357 -18.110 -3.433 1.00 0.00 O ATOM 35 CB CYS A 7 4.125 -15.824 -2.794 1.00 0.00 C ATOM 36 SG CYS A 7 3.313 -15.111 -1.353 1.00 0.00 S ATOM 0 H CYS A 7 4.785 -17.470 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 7 5.048 -17.383 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.049 -15.279 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.486 -15.685 -3.666 1.00 0.00 H new ATOM 41 N ARG A 8 3.077 -18.863 -1.487 1.00 0.00 N ATOM 42 CA ARG A 8 1.895 -19.647 -1.241 1.00 0.00 C ATOM 43 C ARG A 8 1.103 -18.942 -0.151 1.00 0.00 C ATOM 44 O ARG A 8 0.201 -19.495 0.459 1.00 0.00 O ATOM 45 CB ARG A 8 2.209 -21.095 -0.805 1.00 0.00 C ATOM 46 CG ARG A 8 2.910 -21.979 -1.845 1.00 0.00 C ATOM 47 CD ARG A 8 4.385 -21.627 -2.043 1.00 0.00 C ATOM 48 NE ARG A 8 5.149 -21.672 -0.778 1.00 0.00 N ATOM 49 CZ ARG A 8 6.456 -21.969 -0.649 1.00 0.00 C ATOM 50 NH1 ARG A 8 7.137 -22.512 -1.661 1.00 0.00 N ATOM 51 NH2 ARG A 8 7.061 -21.779 0.525 1.00 0.00 N ATOM 0 H ARG A 8 3.798 -18.950 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 8 1.330 -19.726 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.833 -21.056 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.274 -21.577 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.831 -23.022 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.391 -21.887 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.829 -22.321 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.463 -20.630 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 8 4.638 -21.458 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.667 -22.707 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.127 -22.732 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.534 -21.411 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.051 -22.002 0.631 1.00 0.00 H new ATOM 65 N HIS A 9 1.438 -17.676 0.039 1.00 0.00 N ATOM 66 CA HIS A 9 0.820 -16.830 1.053 1.00 0.00 C ATOM 67 C HIS A 9 -0.143 -15.920 0.361 1.00 0.00 C ATOM 68 O HIS A 9 -0.491 -14.871 0.901 1.00 0.00 O ATOM 69 CB HIS A 9 1.852 -15.895 1.732 1.00 0.00 C ATOM 70 CG HIS A 9 3.046 -16.528 2.346 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.304 -16.178 1.927 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.138 -17.411 3.370 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.140 -16.852 2.699 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.477 -17.612 3.591 1.00 0.00 N ATOM 0 H HIS A 9 2.153 -17.200 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 9 0.360 -17.482 1.796 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.196 -15.177 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.335 -15.329 2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.319 -17.867 3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.216 -16.800 2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.891 -18.221 4.297 1.00 0.00 H new ATOM 82 N ILE A 10 -0.590 -16.317 -0.824 1.00 0.00 N ATOM 83 CA ILE A 10 -1.434 -15.457 -1.634 1.00 0.00 C ATOM 84 C ILE A 10 -2.724 -15.220 -0.879 1.00 0.00 C ATOM 85 O ILE A 10 -3.182 -14.126 -0.741 1.00 0.00 O ATOM 86 CB ILE A 10 -1.743 -16.086 -3.029 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.448 -16.486 -3.764 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.554 -15.128 -3.880 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.503 -15.346 -4.022 1.00 0.00 C ATOM 0 H ILE A 10 -0.382 -17.224 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.909 -14.519 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.329 -16.989 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.067 -17.246 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.713 -16.944 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.759 -15.585 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.495 -14.903 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.992 -14.206 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.385 -15.719 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.010 -14.593 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.803 -14.900 -3.073 1.00 0.00 H new ATOM 101 N ARG A 11 -3.241 -16.291 -0.338 1.00 0.00 N ATOM 102 CA ARG A 11 -4.461 -16.267 0.477 1.00 0.00 C ATOM 103 C ARG A 11 -4.247 -15.405 1.738 1.00 0.00 C ATOM 104 O ARG A 11 -5.114 -14.647 2.143 1.00 0.00 O ATOM 105 CB ARG A 11 -4.801 -17.669 0.906 1.00 0.00 C ATOM 106 CG ARG A 11 -5.061 -18.647 -0.224 1.00 0.00 C ATOM 107 CD ARG A 11 -4.886 -20.076 0.274 1.00 0.00 C ATOM 108 NE ARG A 11 -3.480 -20.304 0.662 1.00 0.00 N ATOM 109 CZ ARG A 11 -3.032 -20.684 1.864 1.00 0.00 C ATOM 110 NH1 ARG A 11 -3.871 -21.086 2.813 1.00 0.00 N ATOM 111 NH2 ARG A 11 -1.729 -20.689 2.101 1.00 0.00 N ATOM 0 H ARG A 11 -2.835 -17.221 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.270 -15.844 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.984 -18.053 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.684 -17.632 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.071 -18.509 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.375 -18.454 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.541 -20.256 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.176 -20.780 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.777 -20.156 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.874 -21.108 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.512 -21.372 3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.077 -20.405 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.378 -20.977 3.014 1.00 0.00 H new ATOM 125 N LYS A 12 -3.075 -15.538 2.335 1.00 0.00 N ATOM 126 CA LYS A 12 -2.722 -14.843 3.573 1.00 0.00 C ATOM 127 C LYS A 12 -2.603 -13.341 3.419 1.00 0.00 C ATOM 128 O LYS A 12 -2.860 -12.588 4.363 1.00 0.00 O ATOM 129 CB LYS A 12 -1.420 -15.403 4.149 1.00 0.00 C ATOM 130 CG LYS A 12 -1.536 -16.797 4.725 1.00 0.00 C ATOM 131 CD LYS A 12 -2.473 -16.790 5.914 1.00 0.00 C ATOM 132 CE LYS A 12 -2.558 -18.137 6.575 1.00 0.00 C ATOM 133 NZ LYS A 12 -3.492 -18.104 7.721 1.00 0.00 N ATOM 0 H LYS A 12 -2.331 -16.136 1.975 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.549 -15.024 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.664 -15.410 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.064 -14.730 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.906 -17.484 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.553 -17.157 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.132 -16.052 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.467 -16.482 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.890 -18.881 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.569 -18.443 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.534 -19.045 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.160 -17.409 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.440 -17.834 7.389 1.00 0.00 H new ATOM 147 N GLY A 13 -2.221 -12.904 2.268 1.00 0.00 N ATOM 148 CA GLY A 13 -2.008 -11.501 2.084 1.00 0.00 C ATOM 149 C GLY A 13 -2.896 -10.895 1.075 1.00 0.00 C ATOM 150 O GLY A 13 -2.723 -9.754 0.749 1.00 0.00 O ATOM 0 H GLY A 13 -2.050 -13.485 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.154 -10.992 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.972 -11.335 1.790 1.00 0.00 H new ATOM 154 N LEU A 14 -3.811 -11.647 0.562 1.00 0.00 N ATOM 155 CA LEU A 14 -4.755 -11.142 -0.370 1.00 0.00 C ATOM 156 C LEU A 14 -6.113 -11.623 0.073 1.00 0.00 C ATOM 157 O LEU A 14 -6.378 -12.838 0.111 1.00 0.00 O ATOM 158 CB LEU A 14 -4.388 -11.652 -1.754 1.00 0.00 C ATOM 159 CG LEU A 14 -5.010 -10.996 -2.958 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.310 -11.478 -4.174 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.476 -11.292 -3.083 1.00 0.00 C ATOM 0 H LEU A 14 -3.923 -12.637 0.781 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.761 -10.053 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.306 -11.574 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.636 -12.713 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.907 -9.917 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.749 -11.012 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.254 -11.216 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.412 -12.561 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.873 -10.795 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.623 -12.368 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.997 -10.929 -2.197 1.00 0.00 H new ATOM 173 N GLU A 15 -6.961 -10.704 0.424 1.00 0.00 N ATOM 174 CA GLU A 15 -8.243 -11.068 0.946 1.00 0.00 C ATOM 175 C GLU A 15 -9.321 -10.323 0.139 1.00 0.00 C ATOM 176 O GLU A 15 -9.746 -9.240 0.514 1.00 0.00 O ATOM 177 CB GLU A 15 -8.231 -10.740 2.429 1.00 0.00 C ATOM 178 CG GLU A 15 -9.311 -11.337 3.239 1.00 0.00 C ATOM 179 CD GLU A 15 -9.566 -12.783 2.930 1.00 0.00 C ATOM 180 OE1 GLU A 15 -8.784 -13.640 3.359 1.00 0.00 O ATOM 181 OE2 GLU A 15 -10.569 -13.095 2.269 1.00 0.00 O ATOM 0 H GLU A 15 -6.790 -9.701 0.359 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.469 -12.130 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.275 -11.061 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.279 -9.657 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.058 -11.239 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.229 -10.772 3.077 1.00 0.00 H new ATOM 188 N GLN A 16 -9.762 -10.944 -0.957 1.00 0.00 N ATOM 189 CA GLN A 16 -10.566 -10.277 -2.007 1.00 0.00 C ATOM 190 C GLN A 16 -11.797 -9.532 -1.515 1.00 0.00 C ATOM 191 O GLN A 16 -12.007 -8.396 -1.882 1.00 0.00 O ATOM 192 CB GLN A 16 -11.017 -11.254 -3.079 1.00 0.00 C ATOM 193 CG GLN A 16 -9.923 -12.078 -3.712 1.00 0.00 C ATOM 194 CD GLN A 16 -10.438 -12.921 -4.842 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.461 -12.492 -5.994 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.851 -14.107 -4.539 1.00 0.00 N ATOM 0 H GLN A 16 -9.576 -11.928 -1.151 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.874 -9.536 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.751 -11.931 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.526 -10.695 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.138 -11.417 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.470 -12.721 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.816 -14.427 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.212 -14.723 -5.268 1.00 0.00 H new ATOM 205 N GLY A 17 -12.568 -10.159 -0.656 1.00 0.00 N ATOM 206 CA GLY A 17 -13.851 -9.592 -0.232 1.00 0.00 C ATOM 207 C GLY A 17 -13.666 -8.344 0.594 1.00 0.00 C ATOM 208 O GLY A 17 -14.486 -7.425 0.573 1.00 0.00 O ATOM 0 H GLY A 17 -12.340 -11.059 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.454 -9.361 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.402 -10.333 0.347 1.00 0.00 H new ATOM 212 N ASN A 18 -12.576 -8.312 1.286 1.00 0.00 N ATOM 213 CA ASN A 18 -12.195 -7.203 2.131 1.00 0.00 C ATOM 214 C ASN A 18 -11.697 -6.039 1.259 1.00 0.00 C ATOM 215 O ASN A 18 -11.942 -4.856 1.560 1.00 0.00 O ATOM 216 CB ASN A 18 -11.091 -7.705 3.056 1.00 0.00 C ATOM 217 CG ASN A 18 -10.575 -6.710 4.052 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.294 -5.827 4.521 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.319 -6.838 4.369 1.00 0.00 N ATOM 0 H ASN A 18 -11.898 -9.074 1.287 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.038 -6.838 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.464 -8.574 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.256 -8.045 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.892 -6.191 5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.762 -7.585 3.955 1.00 0.00 H new ATOM 226 N LEU A 19 -11.047 -6.400 0.158 1.00 0.00 N ATOM 227 CA LEU A 19 -10.475 -5.452 -0.815 1.00 0.00 C ATOM 228 C LEU A 19 -11.502 -4.526 -1.361 1.00 0.00 C ATOM 229 O LEU A 19 -11.338 -3.322 -1.267 1.00 0.00 O ATOM 230 CB LEU A 19 -9.810 -6.193 -1.983 1.00 0.00 C ATOM 231 CG LEU A 19 -8.377 -6.705 -1.800 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.394 -5.712 -2.346 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.049 -6.953 -0.359 1.00 0.00 C ATOM 0 H LEU A 19 -10.895 -7.376 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.729 -4.870 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.438 -7.047 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.817 -5.527 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.308 -7.648 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.381 -6.090 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.583 -5.559 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.503 -4.765 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.024 -7.315 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.153 -6.025 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.731 -7.700 0.046 1.00 0.00 H new ATOM 245 N LYS A 20 -12.604 -5.082 -1.855 1.00 0.00 N ATOM 246 CA LYS A 20 -13.660 -4.290 -2.518 1.00 0.00 C ATOM 247 C LYS A 20 -14.134 -3.131 -1.630 1.00 0.00 C ATOM 248 O LYS A 20 -14.307 -2.003 -2.104 1.00 0.00 O ATOM 249 CB LYS A 20 -14.886 -5.147 -2.895 1.00 0.00 C ATOM 250 CG LYS A 20 -14.741 -6.069 -4.101 1.00 0.00 C ATOM 251 CD LYS A 20 -13.749 -7.175 -3.898 1.00 0.00 C ATOM 252 CE LYS A 20 -13.634 -8.055 -5.129 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.915 -8.714 -5.471 1.00 0.00 N ATOM 0 H LYS A 20 -12.799 -6.082 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.208 -3.898 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.151 -5.757 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.725 -4.476 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.713 -6.503 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.440 -5.477 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.773 -6.751 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.049 -7.781 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.301 -7.452 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.871 -8.815 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.744 -9.464 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.332 -9.129 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.571 -8.012 -5.870 1.00 0.00 H new ATOM 267 N LYS A 21 -14.216 -3.386 -0.335 1.00 0.00 N ATOM 268 CA LYS A 21 -14.772 -2.430 0.591 1.00 0.00 C ATOM 269 C LYS A 21 -13.768 -1.321 0.835 1.00 0.00 C ATOM 270 O LYS A 21 -14.124 -0.159 1.034 1.00 0.00 O ATOM 271 CB LYS A 21 -15.077 -3.127 1.893 1.00 0.00 C ATOM 272 CG LYS A 21 -15.809 -4.452 1.737 1.00 0.00 C ATOM 273 CD LYS A 21 -17.156 -4.322 1.029 1.00 0.00 C ATOM 274 CE LYS A 21 -18.082 -3.273 1.663 1.00 0.00 C ATOM 275 NZ LYS A 21 -18.415 -3.568 3.068 1.00 0.00 N ATOM 0 H LYS A 21 -13.900 -4.255 0.095 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.686 -2.005 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.142 -3.302 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.679 -2.464 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.178 -5.143 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.966 -4.890 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.985 -4.061 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.657 -5.290 1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.605 -2.295 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.003 -3.212 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.041 -2.826 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.897 -4.488 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.542 -3.599 3.633 1.00 0.00 H new ATOM 289 N ALA A 22 -12.514 -1.671 0.750 1.00 0.00 N ATOM 290 CA ALA A 22 -11.466 -0.739 1.013 1.00 0.00 C ATOM 291 C ALA A 22 -11.247 0.137 -0.188 1.00 0.00 C ATOM 292 O ALA A 22 -11.017 1.332 -0.056 1.00 0.00 O ATOM 293 CB ALA A 22 -10.208 -1.473 1.354 1.00 0.00 C ATOM 0 H ALA A 22 -12.197 -2.607 0.497 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.748 -0.112 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.411 -0.756 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.374 -2.087 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.921 -2.111 0.518 1.00 0.00 H new ATOM 299 N LEU A 23 -11.372 -0.455 -1.367 1.00 0.00 N ATOM 300 CA LEU A 23 -11.158 0.238 -2.621 1.00 0.00 C ATOM 301 C LEU A 23 -12.285 1.225 -2.887 1.00 0.00 C ATOM 302 O LEU A 23 -12.201 2.055 -3.776 1.00 0.00 O ATOM 303 CB LEU A 23 -11.003 -0.730 -3.775 1.00 0.00 C ATOM 304 CG LEU A 23 -10.120 -1.961 -3.517 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.911 -2.739 -4.764 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.786 -1.653 -2.812 1.00 0.00 C ATOM 0 H LEU A 23 -11.627 -1.437 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.225 0.795 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.995 -1.075 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.592 -0.186 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.677 -2.575 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.283 -3.604 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.874 -3.075 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.423 -2.110 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.227 -2.578 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.201 -0.966 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.984 -1.196 -1.842 1.00 0.00 H new ATOM 318 N VAL A 24 -13.330 1.121 -2.113 1.00 0.00 N ATOM 319 CA VAL A 24 -14.406 2.102 -2.151 1.00 0.00 C ATOM 320 C VAL A 24 -13.901 3.459 -1.625 1.00 0.00 C ATOM 321 O VAL A 24 -14.076 4.499 -2.258 1.00 0.00 O ATOM 322 CB VAL A 24 -15.620 1.663 -1.284 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.647 2.774 -1.204 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.258 0.412 -1.841 1.00 0.00 C ATOM 0 H VAL A 24 -13.470 0.366 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.727 2.186 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.253 1.448 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.489 2.448 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.193 3.657 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.999 3.017 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.104 0.126 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.604 0.602 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.526 -0.396 -1.852 1.00 0.00 H new ATOM 334 N ASN A 25 -13.232 3.422 -0.495 1.00 0.00 N ATOM 335 CA ASN A 25 -12.799 4.640 0.201 1.00 0.00 C ATOM 336 C ASN A 25 -11.309 4.845 0.041 1.00 0.00 C ATOM 337 O ASN A 25 -10.696 5.659 0.735 1.00 0.00 O ATOM 338 CB ASN A 25 -13.139 4.555 1.703 1.00 0.00 C ATOM 339 CG ASN A 25 -14.631 4.469 1.993 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.311 5.499 2.101 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.150 3.265 2.172 1.00 0.00 N ATOM 0 H ASN A 25 -12.967 2.557 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.328 5.484 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.645 3.682 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.730 5.430 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.138 3.165 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.562 2.437 2.076 1.00 0.00 H new ATOM 348 N VAL A 26 -10.741 4.136 -0.889 1.00 0.00 N ATOM 349 CA VAL A 26 -9.331 4.129 -1.104 1.00 0.00 C ATOM 350 C VAL A 26 -8.891 5.358 -1.870 1.00 0.00 C ATOM 351 O VAL A 26 -9.712 6.060 -2.468 1.00 0.00 O ATOM 352 CB VAL A 26 -9.013 2.882 -1.897 1.00 0.00 C ATOM 353 CG1 VAL A 26 -9.206 2.983 -3.379 1.00 0.00 C ATOM 354 CG2 VAL A 26 -7.786 2.205 -1.503 1.00 0.00 C ATOM 0 H VAL A 26 -11.259 3.535 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.803 4.138 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.810 2.205 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.948 2.032 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.247 3.223 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.563 3.768 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.641 1.323 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.941 2.881 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.856 1.903 -0.458 1.00 0.00 H new ATOM 364 N GLU A 27 -7.634 5.632 -1.834 1.00 0.00 N ATOM 365 CA GLU A 27 -7.092 6.682 -2.583 1.00 0.00 C ATOM 366 C GLU A 27 -5.965 6.124 -3.397 1.00 0.00 C ATOM 367 O GLU A 27 -4.897 5.831 -2.883 1.00 0.00 O ATOM 368 CB GLU A 27 -6.567 7.728 -1.687 1.00 0.00 C ATOM 369 CG GLU A 27 -6.277 8.976 -2.384 1.00 0.00 C ATOM 370 CD GLU A 27 -7.511 9.705 -2.795 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.039 9.444 -3.878 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.981 10.553 -2.009 1.00 0.00 O ATOM 0 H GLU A 27 -6.954 5.119 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.859 7.122 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.292 7.919 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.658 7.366 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.679 9.618 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.675 8.763 -3.267 1.00 0.00 H new ATOM 379 N TRP A 28 -6.204 5.956 -4.631 1.00 0.00 N ATOM 380 CA TRP A 28 -5.254 5.331 -5.492 1.00 0.00 C ATOM 381 C TRP A 28 -4.062 6.183 -5.770 1.00 0.00 C ATOM 382 O TRP A 28 -4.189 7.337 -6.181 1.00 0.00 O ATOM 383 CB TRP A 28 -5.890 4.872 -6.749 1.00 0.00 C ATOM 384 CG TRP A 28 -6.741 3.695 -6.563 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.066 3.655 -6.655 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.313 2.371 -6.252 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.518 2.393 -6.428 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.450 1.582 -6.188 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.072 1.782 -6.035 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.396 0.239 -5.921 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -5.018 0.439 -5.759 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.175 -0.320 -5.711 1.00 0.00 C ATOM 0 H TRP A 28 -7.067 6.245 -5.091 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.885 4.458 -4.954 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.487 5.683 -7.165 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.114 4.641 -7.479 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.695 4.504 -6.878 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.495 2.102 -6.436 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.168 2.371 -6.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.296 -0.357 -5.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.063 -0.031 -5.577 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.106 -1.377 -5.503 1.00 0.00 H new ATOM 403 N ASN A 29 -2.910 5.589 -5.500 1.00 0.00 N ATOM 404 CA ASN A 29 -1.603 6.198 -5.680 1.00 0.00 C ATOM 405 C ASN A 29 -1.330 7.241 -4.664 1.00 0.00 C ATOM 406 O ASN A 29 -0.419 8.047 -4.796 1.00 0.00 O ATOM 407 CB ASN A 29 -1.339 6.648 -7.116 1.00 0.00 C ATOM 408 CG ASN A 29 -0.829 5.514 -7.935 1.00 0.00 C ATOM 409 OD1 ASN A 29 -1.595 4.776 -8.549 1.00 0.00 O ATOM 410 ND2 ASN A 29 0.459 5.344 -7.935 1.00 0.00 N ATOM 0 H ASN A 29 -2.859 4.637 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.868 5.413 -5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.257 7.037 -7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.614 7.462 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.872 4.573 -8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.058 5.982 -7.410 1.00 0.00 H new ATOM 417 N ILE A 30 -2.083 7.167 -3.598 1.00 0.00 N ATOM 418 CA ILE A 30 -1.909 8.029 -2.495 1.00 0.00 C ATOM 419 C ILE A 30 -1.931 7.185 -1.268 1.00 0.00 C ATOM 420 O ILE A 30 -2.939 6.552 -0.975 1.00 0.00 O ATOM 421 CB ILE A 30 -3.026 9.104 -2.382 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.101 9.977 -3.653 1.00 0.00 C ATOM 423 CG2 ILE A 30 -2.906 9.926 -1.098 1.00 0.00 C ATOM 424 CD1 ILE A 30 -3.920 11.256 -3.530 1.00 0.00 C ATOM 0 H ILE A 30 -2.840 6.492 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.967 8.563 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.979 8.580 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.086 10.244 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.520 9.376 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.707 10.664 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.983 9.265 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.942 10.435 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.905 11.791 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.949 11.006 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.493 11.888 -2.751 1.00 0.00 H new ATOM 436 N CYS A 31 -0.805 7.090 -0.617 1.00 0.00 N ATOM 437 CA CYS A 31 -0.729 6.438 0.654 1.00 0.00 C ATOM 438 C CYS A 31 -1.732 7.071 1.599 1.00 0.00 C ATOM 439 O CYS A 31 -1.591 8.222 2.012 1.00 0.00 O ATOM 440 CB CYS A 31 0.715 6.451 1.211 1.00 0.00 C ATOM 441 SG CYS A 31 0.913 6.099 2.965 1.00 0.00 S ATOM 0 H CYS A 31 0.082 7.463 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.990 5.386 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.302 5.723 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.147 7.431 1.011 1.00 0.00 H new ATOM 446 N GLN A 32 -2.768 6.319 1.876 1.00 0.00 N ATOM 447 CA GLN A 32 -3.862 6.727 2.747 1.00 0.00 C ATOM 448 C GLN A 32 -3.328 7.067 4.084 1.00 0.00 C ATOM 449 O GLN A 32 -3.743 8.010 4.723 1.00 0.00 O ATOM 450 CB GLN A 32 -4.831 5.596 2.900 1.00 0.00 C ATOM 451 CG GLN A 32 -5.252 5.052 1.605 1.00 0.00 C ATOM 452 CD GLN A 32 -6.360 4.096 1.776 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.138 2.906 1.948 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.559 4.599 1.770 1.00 0.00 N ATOM 0 H GLN A 32 -2.885 5.380 1.496 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.361 7.592 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.373 4.805 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.707 5.941 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.564 5.864 0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.410 4.557 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.692 5.599 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.367 3.993 1.913 1.00 0.00 H new ATOM 463 N ASP A 33 -2.350 6.333 4.451 1.00 0.00 N ATOM 464 CA ASP A 33 -1.698 6.504 5.728 1.00 0.00 C ATOM 465 C ASP A 33 -0.912 7.839 5.787 1.00 0.00 C ATOM 466 O ASP A 33 -0.502 8.256 6.839 1.00 0.00 O ATOM 467 CB ASP A 33 -0.820 5.299 6.050 1.00 0.00 C ATOM 468 CG ASP A 33 -0.458 5.203 7.517 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.325 5.432 8.381 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.672 4.833 7.831 1.00 0.00 O ATOM 0 H ASP A 33 -1.961 5.582 3.880 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.465 6.562 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.339 4.389 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.094 5.355 5.459 1.00 0.00 H new ATOM 475 N CYS A 34 -0.681 8.488 4.617 1.00 0.00 N ATOM 476 CA CYS A 34 -0.117 9.795 4.552 1.00 0.00 C ATOM 477 C CYS A 34 -1.203 10.851 4.723 1.00 0.00 C ATOM 478 O CYS A 34 -1.010 11.846 5.374 1.00 0.00 O ATOM 479 CB CYS A 34 0.554 10.010 3.204 1.00 0.00 C ATOM 480 SG CYS A 34 2.296 9.548 3.010 1.00 0.00 S ATOM 0 H CYS A 34 -0.894 8.087 3.704 1.00 0.00 H new ATOM 0 HA CYS A 34 0.617 9.886 5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.019 9.458 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.464 11.067 2.956 1.00 0.00 H new ATOM 485 N LYS A 35 -2.352 10.586 4.156 1.00 0.00 N ATOM 486 CA LYS A 35 -3.441 11.572 4.144 1.00 0.00 C ATOM 487 C LYS A 35 -4.208 11.584 5.436 1.00 0.00 C ATOM 488 O LYS A 35 -4.736 12.619 5.841 1.00 0.00 O ATOM 489 CB LYS A 35 -4.389 11.378 2.964 1.00 0.00 C ATOM 490 CG LYS A 35 -4.966 10.005 2.861 1.00 0.00 C ATOM 491 CD LYS A 35 -5.873 9.831 1.666 1.00 0.00 C ATOM 492 CE LYS A 35 -7.112 10.719 1.740 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.071 10.433 0.651 1.00 0.00 N ATOM 0 H LYS A 35 -2.573 9.704 3.694 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.961 12.544 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.204 12.097 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.854 11.605 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.154 9.280 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.526 9.784 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.319 10.061 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.181 8.788 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.604 10.574 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.810 11.765 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.933 10.999 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.640 10.677 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.315 9.422 0.660 1.00 0.00 H new ATOM 507 N THR A 36 -4.275 10.449 6.088 1.00 0.00 N ATOM 508 CA THR A 36 -4.926 10.376 7.346 1.00 0.00 C ATOM 509 C THR A 36 -3.901 10.550 8.425 1.00 0.00 C ATOM 510 O THR A 36 -4.187 10.410 9.620 1.00 0.00 O ATOM 511 CB THR A 36 -5.721 9.066 7.543 1.00 0.00 C ATOM 512 OG1 THR A 36 -4.903 7.914 7.254 1.00 0.00 O ATOM 513 CG2 THR A 36 -6.956 9.058 6.671 1.00 0.00 C ATOM 0 H THR A 36 -3.882 9.568 5.756 1.00 0.00 H new ATOM 0 HA THR A 36 -5.665 11.176 7.392 1.00 0.00 H new ATOM 0 HB THR A 36 -6.027 9.015 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.641 7.928 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.503 8.128 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.594 9.901 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.663 9.139 5.624 1.00 0.00 H new ATOM 521 N ASP A 37 -2.692 10.858 7.998 1.00 0.00 N ATOM 522 CA ASP A 37 -1.640 11.123 8.924 1.00 0.00 C ATOM 523 C ASP A 37 -1.747 12.529 9.347 1.00 0.00 C ATOM 524 O ASP A 37 -1.341 13.457 8.631 1.00 0.00 O ATOM 525 CB ASP A 37 -0.243 10.862 8.370 1.00 0.00 C ATOM 526 CG ASP A 37 0.832 10.972 9.440 1.00 0.00 C ATOM 527 OD1 ASP A 37 0.925 10.061 10.296 1.00 0.00 O ATOM 528 OD2 ASP A 37 1.615 11.934 9.428 1.00 0.00 O ATOM 0 H ASP A 37 -2.427 10.928 7.016 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.762 10.434 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.211 9.867 7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.032 11.574 7.572 1.00 0.00 H new ATOM 533 N ASN A 38 -2.447 12.707 10.408 1.00 0.00 N ATOM 534 CA ASN A 38 -2.497 13.987 11.038 1.00 0.00 C ATOM 535 C ASN A 38 -1.177 14.264 11.709 1.00 0.00 C ATOM 536 O ASN A 38 -0.194 14.471 11.005 1.00 0.00 O ATOM 537 CB ASN A 38 -3.686 14.156 11.993 1.00 0.00 C ATOM 538 CG ASN A 38 -5.008 14.210 11.263 1.00 0.00 C ATOM 539 OD1 ASN A 38 -5.096 14.688 10.132 1.00 0.00 O ATOM 540 ND2 ASN A 38 -6.040 13.734 11.889 1.00 0.00 N ATOM 0 H ASN A 38 -2.999 11.981 10.865 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.666 14.734 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.699 13.328 12.702 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.556 15.070 12.572 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.958 13.749 11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.933 13.345 12.826 1.00 0.00 H new ATOM 547 N LYS A 39 -1.111 14.138 13.060 1.00 0.00 N ATOM 548 CA LYS A 39 0.093 14.448 13.865 1.00 0.00 C ATOM 549 C LYS A 39 0.581 15.895 13.642 1.00 0.00 C ATOM 550 O LYS A 39 0.491 16.758 14.524 1.00 0.00 O ATOM 551 CB LYS A 39 1.207 13.443 13.575 1.00 0.00 C ATOM 552 CG LYS A 39 0.860 12.027 13.930 1.00 0.00 C ATOM 553 CD LYS A 39 2.029 11.141 13.646 1.00 0.00 C ATOM 554 CE LYS A 39 1.807 9.740 14.154 1.00 0.00 C ATOM 555 NZ LYS A 39 1.566 9.707 15.618 1.00 0.00 N ATOM 0 H LYS A 39 -1.899 13.816 13.622 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.185 14.363 14.916 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.458 13.490 12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.100 13.737 14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.588 11.961 14.983 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.006 11.699 13.356 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.211 11.113 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.922 11.558 14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.955 9.299 13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.676 9.127 13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.721 8.742 15.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.222 10.360 16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.587 9.996 15.815 1.00 0.00 H new ATOM 569 N VAL A 40 1.044 16.129 12.468 1.00 0.00 N ATOM 570 CA VAL A 40 1.504 17.367 11.985 1.00 0.00 C ATOM 571 C VAL A 40 0.409 17.934 11.078 1.00 0.00 C ATOM 572 O VAL A 40 -0.664 17.344 10.953 1.00 0.00 O ATOM 573 CB VAL A 40 2.796 17.142 11.160 1.00 0.00 C ATOM 574 CG1 VAL A 40 3.876 16.549 12.036 1.00 0.00 C ATOM 575 CG2 VAL A 40 2.545 16.225 9.952 1.00 0.00 C ATOM 0 H VAL A 40 1.114 15.392 11.766 1.00 0.00 H new ATOM 0 HA VAL A 40 1.722 18.053 12.803 1.00 0.00 H new ATOM 0 HB VAL A 40 3.121 18.112 10.785 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.779 16.395 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.092 17.230 12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.536 15.593 12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.474 16.091 9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.186 15.256 10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.797 16.677 9.301 1.00 0.00 H new ATOM 585 N LYS A 41 0.653 19.039 10.460 1.00 0.00 N ATOM 586 CA LYS A 41 -0.316 19.593 9.533 1.00 0.00 C ATOM 587 C LYS A 41 0.176 19.490 8.111 1.00 0.00 C ATOM 588 O LYS A 41 -0.580 19.608 7.175 1.00 0.00 O ATOM 589 CB LYS A 41 -0.592 21.026 9.870 1.00 0.00 C ATOM 590 CG LYS A 41 -1.369 21.222 11.152 1.00 0.00 C ATOM 591 CD LYS A 41 -1.539 22.688 11.485 1.00 0.00 C ATOM 592 CE LYS A 41 -2.371 23.433 10.448 1.00 0.00 C ATOM 593 NZ LYS A 41 -2.494 24.863 10.785 1.00 0.00 N ATOM 0 H LYS A 41 1.507 19.586 10.568 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.237 19.017 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.356 21.558 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.147 21.480 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.349 20.754 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.853 20.720 11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.014 22.782 12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.557 23.155 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.911 23.327 9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.363 22.986 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.066 25.342 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.955 24.963 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.548 25.294 10.821 1.00 0.00 H new ATOM 607 N ASP A 42 1.445 19.245 8.003 1.00 0.00 N ATOM 608 CA ASP A 42 2.209 19.158 6.743 1.00 0.00 C ATOM 609 C ASP A 42 1.557 18.298 5.688 1.00 0.00 C ATOM 610 O ASP A 42 1.427 18.722 4.556 1.00 0.00 O ATOM 611 CB ASP A 42 3.548 18.546 6.999 1.00 0.00 C ATOM 612 CG ASP A 42 4.417 19.325 7.959 1.00 0.00 C ATOM 613 OD1 ASP A 42 5.162 20.204 7.522 1.00 0.00 O ATOM 614 OD2 ASP A 42 4.370 19.068 9.172 1.00 0.00 O ATOM 0 H ASP A 42 2.031 19.088 8.823 1.00 0.00 H new ATOM 0 HA ASP A 42 2.269 20.184 6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.405 17.540 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.075 18.445 6.050 1.00 0.00 H new ATOM 619 N LYS A 43 1.171 17.072 6.050 1.00 0.00 N ATOM 620 CA LYS A 43 0.610 16.135 5.071 1.00 0.00 C ATOM 621 C LYS A 43 -0.700 16.682 4.540 1.00 0.00 C ATOM 622 O LYS A 43 -0.954 16.674 3.329 1.00 0.00 O ATOM 623 CB LYS A 43 0.366 14.745 5.678 1.00 0.00 C ATOM 624 CG LYS A 43 1.559 14.021 6.302 1.00 0.00 C ATOM 625 CD LYS A 43 2.588 13.576 5.277 1.00 0.00 C ATOM 626 CE LYS A 43 3.684 14.604 5.037 1.00 0.00 C ATOM 627 NZ LYS A 43 4.757 14.062 4.171 1.00 0.00 N ATOM 0 H LYS A 43 1.235 16.707 7.000 1.00 0.00 H new ATOM 0 HA LYS A 43 1.335 16.027 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.404 14.844 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.043 14.105 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.038 14.680 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.201 13.150 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.042 12.643 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.084 13.366 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.255 15.493 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.108 14.915 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.435 14.817 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.249 13.293 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.341 13.695 3.291 1.00 0.00 H new ATOM 641 N ALA A 44 -1.504 17.195 5.447 1.00 0.00 N ATOM 642 CA ALA A 44 -2.784 17.778 5.119 1.00 0.00 C ATOM 643 C ALA A 44 -2.612 19.089 4.376 1.00 0.00 C ATOM 644 O ALA A 44 -3.421 19.432 3.512 1.00 0.00 O ATOM 645 CB ALA A 44 -3.596 17.996 6.366 1.00 0.00 C ATOM 0 H ALA A 44 -1.283 17.218 6.443 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.313 17.082 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.558 18.436 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.759 17.041 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.061 18.669 7.036 1.00 0.00 H new ATOM 651 N GLU A 45 -1.535 19.809 4.672 1.00 0.00 N ATOM 652 CA GLU A 45 -1.279 21.087 4.004 1.00 0.00 C ATOM 653 C GLU A 45 -0.405 20.870 2.797 1.00 0.00 C ATOM 654 O GLU A 45 0.207 21.799 2.292 1.00 0.00 O ATOM 655 CB GLU A 45 -0.640 22.120 4.941 1.00 0.00 C ATOM 656 CG GLU A 45 -1.548 22.601 6.058 1.00 0.00 C ATOM 657 CD GLU A 45 -0.938 23.734 6.846 1.00 0.00 C ATOM 658 OE1 GLU A 45 -1.090 24.908 6.444 1.00 0.00 O ATOM 659 OE2 GLU A 45 -0.308 23.492 7.869 1.00 0.00 O ATOM 0 H GLU A 45 -0.832 19.538 5.360 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.243 21.490 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.258 21.687 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.323 22.980 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.499 22.926 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.765 21.770 6.730 1.00 0.00 H new ATOM 666 N GLU A 46 -0.403 19.629 2.335 1.00 0.00 N ATOM 667 CA GLU A 46 0.357 19.153 1.199 1.00 0.00 C ATOM 668 C GLU A 46 1.827 19.589 1.196 1.00 0.00 C ATOM 669 O GLU A 46 2.218 20.596 0.590 1.00 0.00 O ATOM 670 CB GLU A 46 -0.345 19.359 -0.165 1.00 0.00 C ATOM 671 CG GLU A 46 -0.643 20.799 -0.551 1.00 0.00 C ATOM 672 CD GLU A 46 -1.217 20.920 -1.927 1.00 0.00 C ATOM 673 OE1 GLU A 46 -2.454 20.862 -2.075 1.00 0.00 O ATOM 674 OE2 GLU A 46 -0.440 21.090 -2.894 1.00 0.00 O ATOM 0 H GLU A 46 -0.961 18.893 2.767 1.00 0.00 H new ATOM 0 HA GLU A 46 0.386 18.073 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.278 18.917 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.283 18.805 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.341 21.227 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.275 21.384 -0.492 1.00 0.00 H new ATOM 681 N GLU A 47 2.616 18.854 1.934 1.00 0.00 N ATOM 682 CA GLU A 47 4.051 19.029 1.963 1.00 0.00 C ATOM 683 C GLU A 47 4.608 18.709 0.598 1.00 0.00 C ATOM 684 O GLU A 47 5.477 19.402 0.079 1.00 0.00 O ATOM 685 CB GLU A 47 4.654 18.081 3.012 1.00 0.00 C ATOM 686 CG GLU A 47 6.140 17.823 2.846 1.00 0.00 C ATOM 687 CD GLU A 47 6.704 16.950 3.929 1.00 0.00 C ATOM 688 OE1 GLU A 47 7.070 17.463 4.994 1.00 0.00 O ATOM 689 OE2 GLU A 47 6.756 15.727 3.744 1.00 0.00 O ATOM 0 H GLU A 47 2.280 18.106 2.541 1.00 0.00 H new ATOM 0 HA GLU A 47 4.301 20.057 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.479 18.498 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.126 17.129 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.317 17.353 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.671 18.775 2.840 1.00 0.00 H new ATOM 696 N THR A 48 4.033 17.688 0.026 1.00 0.00 N ATOM 697 CA THR A 48 4.422 17.135 -1.201 1.00 0.00 C ATOM 698 C THR A 48 5.818 16.560 -1.107 1.00 0.00 C ATOM 699 O THR A 48 6.841 17.223 -1.336 1.00 0.00 O ATOM 700 CB THR A 48 4.225 18.087 -2.367 1.00 0.00 C ATOM 701 OG1 THR A 48 2.861 18.583 -2.307 1.00 0.00 O ATOM 702 CG2 THR A 48 4.436 17.361 -3.679 1.00 0.00 C ATOM 0 H THR A 48 3.237 17.206 0.444 1.00 0.00 H new ATOM 0 HA THR A 48 3.754 16.303 -1.421 1.00 0.00 H new ATOM 0 HB THR A 48 4.942 18.906 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.706 19.203 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.292 18.056 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.449 16.960 -3.714 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.719 16.544 -3.762 1.00 0.00 H new ATOM 710 N GLU A 49 5.823 15.347 -0.686 1.00 0.00 N ATOM 711 CA GLU A 49 6.990 14.586 -0.472 1.00 0.00 C ATOM 712 C GLU A 49 7.424 13.954 -1.767 1.00 0.00 C ATOM 713 O GLU A 49 6.605 13.800 -2.688 1.00 0.00 O ATOM 714 CB GLU A 49 6.767 13.539 0.636 1.00 0.00 C ATOM 715 CG GLU A 49 5.574 12.616 0.441 1.00 0.00 C ATOM 716 CD GLU A 49 4.225 13.298 0.627 1.00 0.00 C ATOM 717 OE1 GLU A 49 3.775 13.484 1.778 1.00 0.00 O ATOM 718 OE2 GLU A 49 3.612 13.701 -0.378 1.00 0.00 O ATOM 0 H GLU A 49 4.966 14.836 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 49 7.791 15.241 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.666 12.928 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.648 14.061 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.618 12.189 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.650 11.787 1.145 1.00 0.00 H new ATOM 725 N GLU A 50 8.686 13.625 -1.862 1.00 0.00 N ATOM 726 CA GLU A 50 9.234 13.056 -3.066 1.00 0.00 C ATOM 727 C GLU A 50 8.567 11.743 -3.395 1.00 0.00 C ATOM 728 O GLU A 50 8.511 10.856 -2.542 1.00 0.00 O ATOM 729 CB GLU A 50 10.732 12.897 -2.961 1.00 0.00 C ATOM 730 CG GLU A 50 11.454 14.205 -2.766 1.00 0.00 C ATOM 731 CD GLU A 50 12.933 14.036 -2.800 1.00 0.00 C ATOM 732 OE1 GLU A 50 13.550 13.771 -1.738 1.00 0.00 O ATOM 733 OE2 GLU A 50 13.520 14.164 -3.890 1.00 0.00 O ATOM 0 H GLU A 50 9.362 13.744 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 50 9.032 13.747 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.963 12.234 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.104 12.415 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.151 14.906 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.161 14.642 -1.812 1.00 0.00 H new ATOM 740 N LYS A 51 8.117 11.642 -4.654 1.00 0.00 N ATOM 741 CA LYS A 51 7.325 10.572 -5.217 1.00 0.00 C ATOM 742 C LYS A 51 7.801 9.226 -4.814 1.00 0.00 C ATOM 743 O LYS A 51 8.806 8.696 -5.313 1.00 0.00 O ATOM 744 CB LYS A 51 7.182 10.672 -6.750 1.00 0.00 C ATOM 745 CG LYS A 51 6.205 11.748 -7.248 1.00 0.00 C ATOM 746 CD LYS A 51 6.702 13.169 -7.030 1.00 0.00 C ATOM 747 CE LYS A 51 5.679 14.185 -7.515 1.00 0.00 C ATOM 748 NZ LYS A 51 6.175 15.575 -7.443 1.00 0.00 N ATOM 0 H LYS A 51 8.319 12.365 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 51 6.330 10.703 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.165 10.870 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.857 9.704 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.021 11.595 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.250 11.624 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.905 13.329 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.643 13.314 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.405 13.955 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.773 14.096 -6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.438 16.225 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.412 15.808 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.024 15.672 -8.036 1.00 0.00 H new ATOM 762 N PRO A 52 7.121 8.697 -3.845 1.00 0.00 N ATOM 763 CA PRO A 52 7.414 7.437 -3.267 1.00 0.00 C ATOM 764 C PRO A 52 6.602 6.330 -3.914 1.00 0.00 C ATOM 765 O PRO A 52 5.611 6.587 -4.611 1.00 0.00 O ATOM 766 CB PRO A 52 6.958 7.720 -1.851 1.00 0.00 C ATOM 767 CG PRO A 52 5.662 8.411 -2.045 1.00 0.00 C ATOM 768 CD PRO A 52 5.955 9.353 -3.160 1.00 0.00 C ATOM 0 HA PRO A 52 8.444 7.095 -3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.843 6.802 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.672 8.346 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.866 7.713 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.345 8.936 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.103 9.466 -3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.207 10.348 -2.794 1.00 0.00 H new ATOM 776 N SER A 53 7.043 5.131 -3.741 1.00 0.00 N ATOM 777 CA SER A 53 6.327 4.031 -4.212 1.00 0.00 C ATOM 778 C SER A 53 5.131 3.821 -3.313 1.00 0.00 C ATOM 779 O SER A 53 5.239 3.898 -2.084 1.00 0.00 O ATOM 780 CB SER A 53 7.253 2.834 -4.279 1.00 0.00 C ATOM 781 OG SER A 53 8.094 2.775 -3.123 1.00 0.00 O ATOM 0 H SER A 53 7.915 4.902 -3.265 1.00 0.00 H new ATOM 0 HA SER A 53 5.948 4.190 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.666 1.919 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.867 2.894 -5.178 1.00 0.00 H new ATOM 0 HG SER A 53 7.595 3.085 -2.339 1.00 0.00 H new ATOM 787 N VAL A 54 4.011 3.629 -3.908 1.00 0.00 N ATOM 788 CA VAL A 54 2.798 3.498 -3.183 1.00 0.00 C ATOM 789 C VAL A 54 2.363 2.075 -3.261 1.00 0.00 C ATOM 790 O VAL A 54 1.987 1.580 -4.319 1.00 0.00 O ATOM 791 CB VAL A 54 1.718 4.447 -3.732 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.424 4.285 -2.983 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.193 5.879 -3.617 1.00 0.00 C ATOM 0 H VAL A 54 3.908 3.558 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 54 2.955 3.777 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 54 1.543 4.197 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.321 4.968 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.071 3.259 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.583 4.511 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.426 6.549 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.384 6.116 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.111 6.005 -4.191 1.00 0.00 H new ATOM 803 N TRP A 55 2.494 1.417 -2.182 1.00 0.00 N ATOM 804 CA TRP A 55 2.192 0.042 -2.100 1.00 0.00 C ATOM 805 C TRP A 55 0.813 -0.152 -1.472 1.00 0.00 C ATOM 806 O TRP A 55 0.527 0.366 -0.390 1.00 0.00 O ATOM 807 CB TRP A 55 3.281 -0.694 -1.313 1.00 0.00 C ATOM 808 CG TRP A 55 4.672 -0.584 -1.898 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.547 0.434 -1.717 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.350 -1.544 -2.736 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.719 0.182 -2.380 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.625 -1.025 -3.013 1.00 0.00 C ATOM 813 CE3 TRP A 55 5.005 -2.787 -3.275 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.554 -1.701 -3.803 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.925 -3.457 -4.058 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.187 -2.916 -4.312 1.00 0.00 C ATOM 0 H TRP A 55 2.822 1.825 -1.307 1.00 0.00 H new ATOM 0 HA TRP A 55 2.166 -0.384 -3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.299 -0.306 -0.295 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.012 -1.748 -1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.349 1.320 -1.132 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.532 0.797 -2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.033 -3.217 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.528 -1.280 -4.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.664 -4.416 -4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.887 -3.468 -4.922 1.00 0.00 H new ATOM 827 N LEU A 56 -0.037 -0.845 -2.178 1.00 0.00 N ATOM 828 CA LEU A 56 -1.368 -1.143 -1.707 1.00 0.00 C ATOM 829 C LEU A 56 -1.392 -2.517 -1.079 1.00 0.00 C ATOM 830 O LEU A 56 -1.033 -3.496 -1.727 1.00 0.00 O ATOM 831 CB LEU A 56 -2.399 -1.121 -2.835 1.00 0.00 C ATOM 832 CG LEU A 56 -3.802 -1.571 -2.401 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.734 -0.414 -2.175 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.380 -2.587 -3.342 1.00 0.00 C ATOM 0 H LEU A 56 0.172 -1.223 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.628 -0.373 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.460 -0.110 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.054 -1.767 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.685 -2.062 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.711 -0.788 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.332 0.230 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.836 0.157 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.373 -2.878 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.454 -2.157 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.734 -3.465 -3.371 1.00 0.00 H new ATOM 846 N CYS A 57 -1.817 -2.577 0.157 1.00 0.00 N ATOM 847 CA CYS A 57 -1.969 -3.812 0.887 1.00 0.00 C ATOM 848 C CYS A 57 -3.024 -4.667 0.191 1.00 0.00 C ATOM 849 O CYS A 57 -4.198 -4.332 0.225 1.00 0.00 O ATOM 850 CB CYS A 57 -2.439 -3.474 2.312 1.00 0.00 C ATOM 851 SG CYS A 57 -2.422 -4.846 3.511 1.00 0.00 S ATOM 0 H CYS A 57 -2.073 -1.750 0.697 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.026 -4.357 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.810 -2.673 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.454 -3.082 2.254 1.00 0.00 H new ATOM 856 N LEU A 58 -2.612 -5.775 -0.406 1.00 0.00 N ATOM 857 CA LEU A 58 -3.508 -6.679 -1.126 1.00 0.00 C ATOM 858 C LEU A 58 -4.376 -7.432 -0.163 1.00 0.00 C ATOM 859 O LEU A 58 -5.276 -8.171 -0.536 1.00 0.00 O ATOM 860 CB LEU A 58 -2.644 -7.612 -1.937 1.00 0.00 C ATOM 861 CG LEU A 58 -2.046 -6.976 -3.176 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.750 -7.630 -3.542 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.013 -7.139 -4.318 1.00 0.00 C ATOM 0 H LEU A 58 -1.638 -6.078 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.177 -6.125 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.837 -7.984 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.239 -8.475 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.859 -5.922 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.342 -7.155 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.043 -7.523 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.920 -8.688 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.595 -6.685 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.190 -8.200 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.955 -6.650 -4.070 1.00 0.00 H new ATOM 875 N LYS A 59 -4.065 -7.256 1.070 1.00 0.00 N ATOM 876 CA LYS A 59 -4.800 -7.838 2.125 1.00 0.00 C ATOM 877 C LYS A 59 -5.981 -6.963 2.564 1.00 0.00 C ATOM 878 O LYS A 59 -7.080 -7.472 2.764 1.00 0.00 O ATOM 879 CB LYS A 59 -3.880 -8.149 3.305 1.00 0.00 C ATOM 880 CG LYS A 59 -4.602 -8.771 4.458 1.00 0.00 C ATOM 881 CD LYS A 59 -5.250 -10.084 4.022 1.00 0.00 C ATOM 882 CE LYS A 59 -5.743 -10.971 5.160 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.851 -10.394 5.930 1.00 0.00 N ATOM 0 H LYS A 59 -3.274 -6.690 1.377 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.223 -8.771 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.088 -8.820 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.400 -7.229 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.907 -8.954 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.363 -8.087 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.092 -9.856 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.530 -10.647 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.060 -11.929 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.912 -11.174 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.559 -10.274 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.107 -9.469 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.673 -11.030 5.886 1.00 0.00 H new ATOM 897 N CYS A 60 -5.757 -5.671 2.742 1.00 0.00 N ATOM 898 CA CYS A 60 -6.852 -4.818 3.235 1.00 0.00 C ATOM 899 C CYS A 60 -7.122 -3.554 2.417 1.00 0.00 C ATOM 900 O CYS A 60 -7.925 -2.739 2.828 1.00 0.00 O ATOM 901 CB CYS A 60 -6.626 -4.447 4.682 1.00 0.00 C ATOM 902 SG CYS A 60 -5.357 -3.183 4.932 1.00 0.00 S ATOM 0 H CYS A 60 -4.872 -5.196 2.565 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.745 -5.433 3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.565 -4.092 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.345 -5.343 5.236 1.00 0.00 H new ATOM 907 N GLY A 61 -6.445 -3.382 1.322 1.00 0.00 N ATOM 908 CA GLY A 61 -6.689 -2.226 0.448 1.00 0.00 C ATOM 909 C GLY A 61 -6.172 -0.898 1.014 1.00 0.00 C ATOM 910 O GLY A 61 -6.708 0.158 0.723 1.00 0.00 O ATOM 0 H GLY A 61 -5.715 -4.015 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.216 -2.407 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.760 -2.140 0.267 1.00 0.00 H new ATOM 914 N HIS A 62 -5.191 -0.990 1.863 1.00 0.00 N ATOM 915 CA HIS A 62 -4.523 0.174 2.451 1.00 0.00 C ATOM 916 C HIS A 62 -3.285 0.587 1.646 1.00 0.00 C ATOM 917 O HIS A 62 -2.375 -0.222 1.467 1.00 0.00 O ATOM 918 CB HIS A 62 -4.093 -0.189 3.875 1.00 0.00 C ATOM 919 CG HIS A 62 -3.288 0.853 4.593 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.906 0.869 4.618 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.689 1.884 5.349 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.523 1.885 5.384 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.570 2.539 5.857 1.00 0.00 N ATOM 0 H HIS A 62 -4.814 -1.882 2.183 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.219 1.013 2.447 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.986 -0.401 4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.511 -1.110 3.836 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.289 0.216 4.134 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.716 2.162 5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.495 2.142 5.592 1.00 0.00 H new ATOM 931 N GLN A 63 -3.244 1.826 1.177 1.00 0.00 N ATOM 932 CA GLN A 63 -2.026 2.322 0.540 1.00 0.00 C ATOM 933 C GLN A 63 -1.067 2.932 1.519 1.00 0.00 C ATOM 934 O GLN A 63 -1.427 3.763 2.365 1.00 0.00 O ATOM 935 CB GLN A 63 -2.220 3.293 -0.610 1.00 0.00 C ATOM 936 CG GLN A 63 -2.822 2.701 -1.833 1.00 0.00 C ATOM 937 CD GLN A 63 -4.296 2.929 -1.904 1.00 0.00 C ATOM 938 OE1 GLN A 63 -4.959 3.049 -0.904 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.821 2.984 -3.093 1.00 0.00 N ATOM 0 H GLN A 63 -4.015 2.492 1.221 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.610 1.409 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.853 4.113 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.253 3.723 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.347 3.131 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.620 1.630 -1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.229 2.878 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.824 3.133 -3.201 1.00 0.00 H new ATOM 948 N GLY A 64 0.129 2.503 1.394 1.00 0.00 N ATOM 949 CA GLY A 64 1.197 2.971 2.162 1.00 0.00 C ATOM 950 C GLY A 64 2.361 3.258 1.296 1.00 0.00 C ATOM 951 O GLY A 64 2.537 2.649 0.256 1.00 0.00 O ATOM 0 H GLY A 64 0.395 1.784 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.902 3.873 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.467 2.229 2.913 1.00 0.00 H new ATOM 955 N CYS A 65 3.131 4.193 1.700 1.00 0.00 N ATOM 956 CA CYS A 65 4.255 4.593 0.952 1.00 0.00 C ATOM 957 C CYS A 65 5.420 3.693 1.346 1.00 0.00 C ATOM 958 O CYS A 65 5.607 3.397 2.547 1.00 0.00 O ATOM 959 CB CYS A 65 4.501 6.079 1.179 1.00 0.00 C ATOM 960 SG CYS A 65 4.628 6.530 2.913 1.00 0.00 S ATOM 0 H CYS A 65 2.996 4.708 2.570 1.00 0.00 H new ATOM 0 HA CYS A 65 4.109 4.478 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.419 6.369 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.690 6.647 0.723 1.00 0.00 H new ATOM 965 N GLY A 66 6.129 3.223 0.358 1.00 0.00 N ATOM 966 CA GLY A 66 7.156 2.237 0.547 1.00 0.00 C ATOM 967 C GLY A 66 8.454 2.739 1.115 1.00 0.00 C ATOM 968 O GLY A 66 8.506 3.732 1.835 1.00 0.00 O ATOM 0 H GLY A 66 6.009 3.517 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.770 1.460 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.361 1.766 -0.414 1.00 0.00 H new ATOM 972 N ARG A 67 9.516 2.069 0.727 1.00 0.00 N ATOM 973 CA ARG A 67 10.850 2.265 1.289 1.00 0.00 C ATOM 974 C ARG A 67 11.449 3.588 0.856 1.00 0.00 C ATOM 975 O ARG A 67 12.357 4.113 1.485 1.00 0.00 O ATOM 976 CB ARG A 67 11.754 1.090 0.875 1.00 0.00 C ATOM 977 CG ARG A 67 11.108 -0.258 1.161 1.00 0.00 C ATOM 978 CD ARG A 67 12.039 -1.454 0.947 1.00 0.00 C ATOM 979 NE ARG A 67 12.239 -1.820 -0.466 1.00 0.00 N ATOM 980 CZ ARG A 67 13.063 -2.804 -0.883 1.00 0.00 C ATOM 981 NH1 ARG A 67 13.879 -3.411 -0.022 1.00 0.00 N ATOM 982 NH2 ARG A 67 13.074 -3.164 -2.158 1.00 0.00 N ATOM 0 H ARG A 67 9.485 1.356 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 67 10.770 2.293 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.980 1.165 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.702 1.157 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.753 -0.267 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.233 -0.373 0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.008 -1.230 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.634 -2.315 1.480 1.00 0.00 H new ATOM 0 HE ARG A 67 11.722 -1.297 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.883 -3.133 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.499 -4.154 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.459 -2.697 -2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.697 -3.908 -2.473 1.00 0.00 H new ATOM 996 N ASN A 68 10.866 4.149 -0.171 1.00 0.00 N ATOM 997 CA ASN A 68 11.349 5.377 -0.796 1.00 0.00 C ATOM 998 C ASN A 68 10.695 6.595 -0.171 1.00 0.00 C ATOM 999 O ASN A 68 10.674 7.676 -0.770 1.00 0.00 O ATOM 1000 CB ASN A 68 10.999 5.354 -2.280 1.00 0.00 C ATOM 1001 CG ASN A 68 11.496 4.112 -2.986 1.00 0.00 C ATOM 1002 OD1 ASN A 68 12.523 3.541 -2.634 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.780 3.678 -3.974 1.00 0.00 N ATOM 0 H ASN A 68 10.029 3.769 -0.612 1.00 0.00 H new ATOM 0 HA ASN A 68 12.428 5.435 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.917 5.421 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.425 6.234 -2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.066 2.841 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.930 4.173 -4.244 1.00 0.00 H new ATOM 1010 N SER A 69 10.153 6.440 1.007 1.00 0.00 N ATOM 1011 CA SER A 69 9.525 7.543 1.652 1.00 0.00 C ATOM 1012 C SER A 69 10.218 7.850 2.968 1.00 0.00 C ATOM 1013 O SER A 69 11.045 7.058 3.440 1.00 0.00 O ATOM 1014 CB SER A 69 8.050 7.253 1.875 1.00 0.00 C ATOM 1015 OG SER A 69 7.863 6.131 2.714 1.00 0.00 O ATOM 0 H SER A 69 10.137 5.564 1.530 1.00 0.00 H new ATOM 0 HA SER A 69 9.609 8.419 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.570 8.125 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.564 7.076 0.916 1.00 0.00 H new ATOM 0 HG SER A 69 7.978 5.310 2.192 1.00 0.00 H new ATOM 1021 N GLN A 70 9.914 8.996 3.532 1.00 0.00 N ATOM 1022 CA GLN A 70 10.437 9.394 4.823 1.00 0.00 C ATOM 1023 C GLN A 70 9.748 8.590 5.920 1.00 0.00 C ATOM 1024 O GLN A 70 10.379 8.144 6.878 1.00 0.00 O ATOM 1025 CB GLN A 70 10.136 10.878 5.052 1.00 0.00 C ATOM 1026 CG GLN A 70 10.660 11.447 6.362 1.00 0.00 C ATOM 1027 CD GLN A 70 10.086 12.820 6.659 1.00 0.00 C ATOM 1028 OE1 GLN A 70 9.746 13.585 5.748 1.00 0.00 O ATOM 1029 NE2 GLN A 70 9.944 13.138 7.912 1.00 0.00 N ATOM 0 H GLN A 70 9.293 9.684 3.107 1.00 0.00 H new ATOM 0 HA GLN A 70 11.512 9.216 4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.562 11.451 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.056 11.024 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.412 10.767 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.747 11.511 6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.234 12.485 8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.542 14.040 8.167 1.00 0.00 H new ATOM 1038 N GLU A 71 8.458 8.381 5.742 1.00 0.00 N ATOM 1039 CA GLU A 71 7.631 7.784 6.767 1.00 0.00 C ATOM 1040 C GLU A 71 7.650 6.272 6.707 1.00 0.00 C ATOM 1041 O GLU A 71 7.599 5.613 7.747 1.00 0.00 O ATOM 1042 CB GLU A 71 6.205 8.239 6.566 1.00 0.00 C ATOM 1043 CG GLU A 71 6.009 9.741 6.549 1.00 0.00 C ATOM 1044 CD GLU A 71 6.330 10.396 7.860 1.00 0.00 C ATOM 1045 OE1 GLU A 71 5.714 10.045 8.881 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.195 11.282 7.893 1.00 0.00 O ATOM 0 H GLU A 71 7.957 8.620 4.886 1.00 0.00 H new ATOM 0 HA GLU A 71 8.026 8.097 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.838 7.829 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.589 7.816 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.638 10.174 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.975 9.963 6.283 1.00 0.00 H new ATOM 1053 N GLN A 72 7.736 5.724 5.487 1.00 0.00 N ATOM 1054 CA GLN A 72 7.710 4.280 5.260 1.00 0.00 C ATOM 1055 C GLN A 72 6.484 3.644 5.920 1.00 0.00 C ATOM 1056 O GLN A 72 6.574 2.648 6.626 1.00 0.00 O ATOM 1057 CB GLN A 72 9.023 3.643 5.715 1.00 0.00 C ATOM 1058 CG GLN A 72 10.186 4.063 4.865 1.00 0.00 C ATOM 1059 CD GLN A 72 11.428 3.436 5.277 1.00 0.00 C ATOM 1060 OE1 GLN A 72 12.159 3.955 6.110 1.00 0.00 O ATOM 1061 NE2 GLN A 72 11.692 2.335 4.739 1.00 0.00 N ATOM 0 H GLN A 72 7.825 6.273 4.632 1.00 0.00 H new ATOM 0 HA GLN A 72 7.618 4.092 4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.217 3.917 6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.927 2.558 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.982 3.810 3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.296 5.146 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.054 1.939 4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.545 1.835 4.991 1.00 0.00 H new ATOM 1070 N HIS A 73 5.324 4.240 5.652 1.00 0.00 N ATOM 1071 CA HIS A 73 4.089 3.848 6.217 1.00 0.00 C ATOM 1072 C HIS A 73 3.703 2.395 5.882 1.00 0.00 C ATOM 1073 O HIS A 73 3.092 1.714 6.706 1.00 0.00 O ATOM 1074 CB HIS A 73 3.024 4.819 5.771 1.00 0.00 C ATOM 1075 CG HIS A 73 3.026 6.200 6.433 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.760 7.311 5.704 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.127 6.559 7.739 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.682 8.307 6.519 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.903 7.912 7.785 1.00 0.00 N ATOM 0 H HIS A 73 5.244 5.031 5.013 1.00 0.00 H new ATOM 0 HA HIS A 73 4.187 3.875 7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.121 4.959 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.051 4.360 5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.341 5.909 8.575 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.468 9.324 6.224 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.904 8.502 8.617 1.00 0.00 H new ATOM 1087 N ALA A 74 4.076 1.927 4.691 1.00 0.00 N ATOM 1088 CA ALA A 74 3.819 0.532 4.288 1.00 0.00 C ATOM 1089 C ALA A 74 4.611 -0.411 5.188 1.00 0.00 C ATOM 1090 O ALA A 74 4.110 -1.452 5.643 1.00 0.00 O ATOM 1091 CB ALA A 74 4.206 0.316 2.829 1.00 0.00 C ATOM 0 H ALA A 74 4.556 2.486 3.986 1.00 0.00 H new ATOM 0 HA ALA A 74 2.754 0.323 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.009 -0.719 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.619 0.981 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.266 0.532 2.698 1.00 0.00 H new ATOM 1097 N LEU A 75 5.803 0.023 5.528 1.00 0.00 N ATOM 1098 CA LEU A 75 6.693 -0.740 6.367 1.00 0.00 C ATOM 1099 C LEU A 75 6.116 -0.779 7.767 1.00 0.00 C ATOM 1100 O LEU A 75 6.010 -1.842 8.359 1.00 0.00 O ATOM 1101 CB LEU A 75 8.126 -0.165 6.361 1.00 0.00 C ATOM 1102 CG LEU A 75 8.946 -0.258 5.041 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.126 -1.692 4.618 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.330 0.545 3.902 1.00 0.00 C ATOM 0 H LEU A 75 6.183 0.921 5.228 1.00 0.00 H new ATOM 0 HA LEU A 75 6.774 -1.754 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.065 0.886 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.692 -0.672 7.142 1.00 0.00 H new ATOM 0 HG LEU A 75 9.920 0.181 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.702 -1.729 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.657 -2.238 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.150 -2.149 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.946 0.441 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.326 0.173 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.276 1.596 4.185 1.00 0.00 H new ATOM 1116 N LYS A 76 5.714 0.386 8.288 1.00 0.00 N ATOM 1117 CA LYS A 76 5.015 0.473 9.578 1.00 0.00 C ATOM 1118 C LYS A 76 3.788 -0.422 9.606 1.00 0.00 C ATOM 1119 O LYS A 76 3.489 -1.051 10.619 1.00 0.00 O ATOM 1120 CB LYS A 76 4.551 1.901 9.827 1.00 0.00 C ATOM 1121 CG LYS A 76 5.654 2.922 9.790 1.00 0.00 C ATOM 1122 CD LYS A 76 5.111 4.332 9.903 1.00 0.00 C ATOM 1123 CE LYS A 76 4.499 4.607 11.272 1.00 0.00 C ATOM 1124 NZ LYS A 76 3.958 5.979 11.394 1.00 0.00 N ATOM 0 H LYS A 76 5.861 1.287 7.834 1.00 0.00 H new ATOM 0 HA LYS A 76 5.719 0.153 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.803 2.164 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.060 1.948 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.353 2.734 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.214 2.820 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.914 5.045 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.358 4.492 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.701 3.889 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.255 4.450 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.555 6.110 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.722 6.668 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.216 6.124 10.680 1.00 0.00 H new ATOM 1138 N HIS A 77 3.101 -0.505 8.485 1.00 0.00 N ATOM 1139 CA HIS A 77 1.867 -1.285 8.389 1.00 0.00 C ATOM 1140 C HIS A 77 2.188 -2.759 8.505 1.00 0.00 C ATOM 1141 O HIS A 77 1.437 -3.517 9.118 1.00 0.00 O ATOM 1142 CB HIS A 77 1.127 -0.962 7.098 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.255 -1.547 6.953 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.387 -0.890 7.354 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.685 -2.697 6.350 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.442 -1.617 6.991 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.081 -2.719 6.378 1.00 0.00 N ATOM 0 H HIS A 77 3.372 -0.041 7.618 1.00 0.00 H new ATOM 0 HA HIS A 77 1.203 -1.018 9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.050 0.122 7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.734 -1.307 6.261 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.417 0.003 7.846 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.051 -3.460 5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.467 -1.334 7.178 1.00 0.00 H new ATOM 1155 N TYR A 78 3.300 -3.157 7.947 1.00 0.00 N ATOM 1156 CA TYR A 78 3.749 -4.524 8.109 1.00 0.00 C ATOM 1157 C TYR A 78 4.282 -4.760 9.512 1.00 0.00 C ATOM 1158 O TYR A 78 4.135 -5.854 10.072 1.00 0.00 O ATOM 1159 CB TYR A 78 4.796 -4.890 7.079 1.00 0.00 C ATOM 1160 CG TYR A 78 5.386 -6.281 7.280 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.594 -7.427 7.171 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.728 -6.443 7.602 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.131 -8.686 7.373 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.269 -7.693 7.804 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.470 -8.813 7.690 1.00 0.00 C ATOM 1166 OH TYR A 78 7.019 -10.063 7.882 1.00 0.00 O ATOM 0 H TYR A 78 3.909 -2.566 7.381 1.00 0.00 H new ATOM 0 HA TYR A 78 2.884 -5.170 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.352 -4.832 6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.600 -4.155 7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.547 -7.329 6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.359 -5.572 7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.508 -9.564 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.315 -7.797 8.051 1.00 0.00 H new ATOM 0 HH TYR A 78 7.971 -9.973 8.097 1.00 0.00 H new ATOM 1176 N LEU A 79 4.884 -3.745 10.102 1.00 0.00 N ATOM 1177 CA LEU A 79 5.423 -3.859 11.437 1.00 0.00 C ATOM 1178 C LEU A 79 4.340 -3.656 12.459 1.00 0.00 C ATOM 1179 O LEU A 79 4.591 -3.698 13.656 1.00 0.00 O ATOM 1180 CB LEU A 79 6.556 -2.850 11.663 1.00 0.00 C ATOM 1181 CG LEU A 79 7.724 -2.930 10.677 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.853 -2.010 11.095 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.201 -4.361 10.518 1.00 0.00 C ATOM 0 H LEU A 79 5.011 -2.829 9.672 1.00 0.00 H new ATOM 0 HA LEU A 79 5.832 -4.863 11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.136 -1.845 11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.946 -2.989 12.671 1.00 0.00 H new ATOM 0 HG LEU A 79 7.370 -2.591 9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.670 -2.087 10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.492 -0.982 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.211 -2.299 12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.031 -4.391 9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.531 -4.744 11.484 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.384 -4.977 10.143 1.00 0.00 H new ATOM 1195 N THR A 80 3.146 -3.394 11.983 1.00 0.00 N ATOM 1196 CA THR A 80 2.004 -3.299 12.856 1.00 0.00 C ATOM 1197 C THR A 80 1.692 -4.686 13.441 1.00 0.00 C ATOM 1198 O THR A 80 1.411 -5.617 12.688 1.00 0.00 O ATOM 1199 CB THR A 80 0.772 -2.774 12.091 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.024 -1.442 11.621 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.475 -2.781 12.969 1.00 0.00 C ATOM 0 H THR A 80 2.942 -3.243 10.995 1.00 0.00 H new ATOM 0 HA THR A 80 2.237 -2.600 13.659 1.00 0.00 H new ATOM 0 HB THR A 80 0.594 -3.437 11.245 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.981 -1.334 11.440 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.324 -2.405 12.398 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.682 -3.799 13.299 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.312 -2.144 13.838 1.00 0.00 H new ATOM 1209 N PRO A 81 1.766 -4.852 14.773 1.00 0.00 N ATOM 1210 CA PRO A 81 1.468 -6.113 15.403 1.00 0.00 C ATOM 1211 C PRO A 81 -0.015 -6.371 15.416 1.00 0.00 C ATOM 1212 O PRO A 81 -0.822 -5.598 15.969 1.00 0.00 O ATOM 1213 CB PRO A 81 1.994 -5.966 16.807 1.00 0.00 C ATOM 1214 CG PRO A 81 1.904 -4.530 17.069 1.00 0.00 C ATOM 1215 CD PRO A 81 2.138 -3.833 15.757 1.00 0.00 C ATOM 0 HA PRO A 81 1.918 -6.954 14.875 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.400 -6.540 17.518 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.021 -6.323 16.888 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.926 -4.272 17.475 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.646 -4.224 17.807 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.525 -2.936 15.661 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.177 -3.523 15.644 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.350 -7.402 14.787 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.711 -7.843 14.628 1.00 0.00 C ATOM 1225 C ARG A 82 -1.721 -9.342 14.389 1.00 0.00 C ATOM 1226 O ARG A 82 -0.661 -9.949 14.284 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.397 -7.088 13.480 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.690 -7.189 12.144 1.00 0.00 C ATOM 1229 CD ARG A 82 -2.491 -6.516 11.054 1.00 0.00 C ATOM 1230 NE ARG A 82 -2.643 -5.070 11.291 1.00 0.00 N ATOM 1231 CZ ARG A 82 -3.785 -4.369 11.138 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -4.918 -4.984 10.812 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -3.788 -3.051 11.333 1.00 0.00 N ATOM 0 H ARG A 82 0.327 -8.015 14.334 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.274 -7.626 15.536 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.412 -7.469 13.368 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.480 -6.036 13.753 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.705 -6.727 12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.533 -8.237 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.001 -6.676 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.476 -6.978 10.991 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.816 -4.556 11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.929 -5.995 10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.776 -4.445 10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.927 -2.573 11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.651 -2.520 11.217 1.00 0.00 H new ATOM 1247 N SER A 83 -2.885 -9.937 14.298 1.00 0.00 N ATOM 1248 CA SER A 83 -2.990 -11.371 14.121 1.00 0.00 C ATOM 1249 C SER A 83 -2.772 -11.776 12.653 1.00 0.00 C ATOM 1250 O SER A 83 -2.165 -12.816 12.368 1.00 0.00 O ATOM 1251 CB SER A 83 -4.353 -11.833 14.607 1.00 0.00 C ATOM 1252 OG SER A 83 -4.599 -11.353 15.930 1.00 0.00 O ATOM 0 H SER A 83 -3.780 -9.450 14.344 1.00 0.00 H new ATOM 0 HA SER A 83 -2.208 -11.854 14.707 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.129 -11.471 13.932 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.401 -12.922 14.594 1.00 0.00 H new ATOM 0 HG SER A 83 -5.481 -11.657 16.229 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.265 -10.960 11.744 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.116 -11.210 10.319 1.00 0.00 C ATOM 1260 C GLU A 84 -1.757 -10.680 9.856 1.00 0.00 C ATOM 1261 O GLU A 84 -1.203 -9.789 10.492 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.219 -10.505 9.558 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.616 -10.880 9.986 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.640 -9.970 9.379 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.390 -9.402 8.301 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.712 -9.773 9.988 1.00 0.00 O ATOM 0 H GLU A 84 -3.779 -10.108 11.967 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.178 -12.281 10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.093 -9.429 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.107 -10.724 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.823 -11.909 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.688 -10.837 11.073 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.186 -11.215 8.771 1.00 0.00 N ATOM 1274 CA PRO A 85 0.109 -10.762 8.293 1.00 0.00 C ATOM 1275 C PRO A 85 0.054 -9.413 7.538 1.00 0.00 C ATOM 1276 O PRO A 85 0.817 -8.495 7.855 1.00 0.00 O ATOM 1277 CB PRO A 85 0.576 -11.895 7.376 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.667 -12.588 6.926 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.719 -12.340 7.973 1.00 0.00 C ATOM 0 HA PRO A 85 0.789 -10.565 9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.137 -11.505 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.237 -12.581 7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.991 -12.207 5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.489 -13.657 6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.678 -12.087 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.881 -13.223 8.590 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.882 -9.296 6.554 1.00 0.00 N ATOM 1288 CA HIS A 86 -0.999 -8.093 5.684 1.00 0.00 C ATOM 1289 C HIS A 86 0.303 -7.849 4.984 1.00 0.00 C ATOM 1290 O HIS A 86 0.696 -6.720 4.758 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.399 -6.840 6.483 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.793 -6.858 6.970 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.656 -5.830 6.708 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.419 -7.790 7.704 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.781 -6.165 7.305 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.672 -7.345 7.917 1.00 0.00 N ATOM 0 H HIS A 86 -1.567 -10.022 6.345 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.786 -8.287 4.956 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.728 -6.736 7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.255 -5.960 5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.998 -8.720 8.057 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.677 -5.562 7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.401 -7.821 8.447 1.00 0.00 H new ATOM 1304 N CYS A 87 0.889 -8.915 4.531 1.00 0.00 N ATOM 1305 CA CYS A 87 2.249 -8.864 4.044 1.00 0.00 C ATOM 1306 C CYS A 87 2.339 -8.720 2.561 1.00 0.00 C ATOM 1307 O CYS A 87 3.413 -8.888 1.980 1.00 0.00 O ATOM 1308 CB CYS A 87 2.975 -10.118 4.459 1.00 0.00 C ATOM 1309 SG CYS A 87 2.063 -11.642 4.101 1.00 0.00 S ATOM 0 H CYS A 87 0.453 -9.836 4.485 1.00 0.00 H new ATOM 0 HA CYS A 87 2.708 -7.978 4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.939 -10.154 3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.180 -10.071 5.528 1.00 0.00 H new ATOM 0 HG CYS A 87 2.526 -12.608 4.838 1.00 0.00 H new ATOM 1315 N LEU A 88 1.237 -8.442 1.960 1.00 0.00 N ATOM 1316 CA LEU A 88 1.155 -8.318 0.543 1.00 0.00 C ATOM 1317 C LEU A 88 0.762 -6.981 0.179 1.00 0.00 C ATOM 1318 O LEU A 88 -0.272 -6.490 0.602 1.00 0.00 O ATOM 1319 CB LEU A 88 0.277 -9.373 -0.086 1.00 0.00 C ATOM 1320 CG LEU A 88 0.970 -10.673 -0.217 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.085 -11.778 -0.690 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.163 -10.582 -1.114 1.00 0.00 C ATOM 0 H LEU A 88 0.352 -8.291 2.444 1.00 0.00 H new ATOM 0 HA LEU A 88 2.151 -8.496 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.622 -9.502 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.046 -9.035 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 88 1.292 -10.917 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.661 -12.700 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.734 -11.916 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.320 -11.526 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.642 -11.559 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.848 -10.262 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.870 -9.859 -0.707 1.00 0.00 H new ATOM 1334 N VAL A 89 1.623 -6.363 -0.553 1.00 0.00 N ATOM 1335 CA VAL A 89 1.392 -5.058 -1.047 1.00 0.00 C ATOM 1336 C VAL A 89 1.795 -5.033 -2.506 1.00 0.00 C ATOM 1337 O VAL A 89 2.718 -5.732 -2.907 1.00 0.00 O ATOM 1338 CB VAL A 89 2.191 -3.976 -0.263 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.813 -3.931 1.207 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.680 -4.178 -0.417 1.00 0.00 C ATOM 0 H VAL A 89 2.521 -6.761 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 89 0.335 -4.821 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 89 1.922 -3.014 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.398 -3.161 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.752 -3.701 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.018 -4.899 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.211 -3.407 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.956 -5.160 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.949 -4.113 -1.471 1.00 0.00 H new ATOM 1350 N LEU A 90 1.068 -4.337 -3.302 1.00 0.00 N ATOM 1351 CA LEU A 90 1.415 -4.195 -4.687 1.00 0.00 C ATOM 1352 C LEU A 90 1.880 -2.780 -4.915 1.00 0.00 C ATOM 1353 O LEU A 90 1.430 -1.869 -4.239 1.00 0.00 O ATOM 1354 CB LEU A 90 0.202 -4.554 -5.584 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.887 -3.503 -5.709 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.596 -2.572 -6.856 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.253 -4.105 -5.850 1.00 0.00 C ATOM 0 H LEU A 90 0.217 -3.848 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 90 2.220 -4.880 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.573 -4.781 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.249 -5.468 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.886 -2.932 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.388 -1.826 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.358 -2.073 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.548 -3.142 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.994 -3.310 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.285 -4.729 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.474 -4.714 -4.974 1.00 0.00 H new ATOM 1369 N SER A 91 2.745 -2.588 -5.838 1.00 0.00 N ATOM 1370 CA SER A 91 3.248 -1.294 -6.102 1.00 0.00 C ATOM 1371 C SER A 91 2.397 -0.612 -7.151 1.00 0.00 C ATOM 1372 O SER A 91 2.109 -1.168 -8.190 1.00 0.00 O ATOM 1373 CB SER A 91 4.721 -1.366 -6.545 1.00 0.00 C ATOM 1374 OG SER A 91 4.900 -1.761 -7.894 1.00 0.00 O ATOM 0 H SER A 91 3.125 -3.324 -6.433 1.00 0.00 H new ATOM 0 HA SER A 91 3.204 -0.704 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.181 -0.389 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.250 -2.067 -5.899 1.00 0.00 H new ATOM 0 HG SER A 91 5.857 -1.783 -8.104 1.00 0.00 H new ATOM 1380 N LEU A 92 2.011 0.582 -6.880 1.00 0.00 N ATOM 1381 CA LEU A 92 1.282 1.406 -7.826 1.00 0.00 C ATOM 1382 C LEU A 92 2.277 2.174 -8.684 1.00 0.00 C ATOM 1383 O LEU A 92 1.977 3.225 -9.253 1.00 0.00 O ATOM 1384 CB LEU A 92 0.391 2.353 -7.044 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.802 1.704 -6.363 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.426 2.641 -5.380 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.824 1.353 -7.392 1.00 0.00 C ATOM 0 H LEU A 92 2.187 1.039 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 92 0.663 0.795 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.995 2.852 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.027 3.126 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.457 0.812 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.278 2.155 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.693 2.913 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.763 3.540 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.682 0.887 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.146 2.257 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.392 0.658 -8.112 1.00 0.00 H new ATOM 1399 N ASP A 93 3.448 1.602 -8.788 1.00 0.00 N ATOM 1400 CA ASP A 93 4.565 2.198 -9.476 1.00 0.00 C ATOM 1401 C ASP A 93 4.914 1.379 -10.678 1.00 0.00 C ATOM 1402 O ASP A 93 4.796 1.821 -11.819 1.00 0.00 O ATOM 1403 CB ASP A 93 5.755 2.192 -8.545 1.00 0.00 C ATOM 1404 CG ASP A 93 6.908 3.034 -9.048 1.00 0.00 C ATOM 1405 OD1 ASP A 93 6.808 4.257 -9.022 1.00 0.00 O ATOM 1406 OD2 ASP A 93 7.944 2.471 -9.477 1.00 0.00 O ATOM 0 H ASP A 93 3.657 0.687 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 93 4.307 3.212 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.445 2.559 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.096 1.166 -8.407 1.00 0.00 H new ATOM 1411 N ASN A 94 5.323 0.169 -10.408 1.00 0.00 N ATOM 1412 CA ASN A 94 5.757 -0.747 -11.451 1.00 0.00 C ATOM 1413 C ASN A 94 4.763 -1.878 -11.532 1.00 0.00 C ATOM 1414 O ASN A 94 4.804 -2.711 -12.435 1.00 0.00 O ATOM 1415 CB ASN A 94 7.185 -1.269 -11.134 1.00 0.00 C ATOM 1416 CG ASN A 94 7.759 -2.200 -12.192 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.601 -3.420 -12.128 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.451 -1.654 -13.139 1.00 0.00 N ATOM 0 H ASN A 94 5.368 -0.217 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 94 5.799 -0.240 -12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.853 -0.416 -11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.164 -1.793 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.882 -2.237 -13.857 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.566 -0.641 -13.168 1.00 0.00 H new ATOM 1425 N TRP A 95 3.838 -1.862 -10.585 1.00 0.00 N ATOM 1426 CA TRP A 95 2.824 -2.891 -10.446 1.00 0.00 C ATOM 1427 C TRP A 95 3.458 -4.213 -10.098 1.00 0.00 C ATOM 1428 O TRP A 95 3.332 -5.223 -10.823 1.00 0.00 O ATOM 1429 CB TRP A 95 1.861 -2.971 -11.652 1.00 0.00 C ATOM 1430 CG TRP A 95 0.966 -1.769 -11.747 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.200 -0.613 -12.425 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.302 -1.609 -11.112 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.148 0.248 -12.255 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.784 -0.336 -11.452 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.075 -2.422 -10.295 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -2.006 0.145 -10.996 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.285 -1.948 -9.841 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.742 -0.676 -10.191 1.00 0.00 C ATOM 0 H TRP A 95 3.771 -1.124 -9.884 1.00 0.00 H new ATOM 0 HA TRP A 95 2.183 -2.607 -9.612 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.440 -3.064 -12.571 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.251 -3.870 -11.568 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.084 -0.405 -13.010 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.074 1.179 -12.665 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.733 -3.409 -10.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.359 1.129 -11.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.892 -2.572 -9.202 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.696 -0.335 -9.818 1.00 0.00 H new ATOM 1449 N SER A 96 4.215 -4.187 -9.030 1.00 0.00 N ATOM 1450 CA SER A 96 4.831 -5.363 -8.533 1.00 0.00 C ATOM 1451 C SER A 96 4.107 -5.763 -7.314 1.00 0.00 C ATOM 1452 O SER A 96 3.268 -5.034 -6.836 1.00 0.00 O ATOM 1453 CB SER A 96 6.269 -5.118 -8.146 1.00 0.00 C ATOM 1454 OG SER A 96 7.010 -4.528 -9.204 1.00 0.00 O ATOM 0 H SER A 96 4.413 -3.344 -8.490 1.00 0.00 H new ATOM 0 HA SER A 96 4.803 -6.127 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.304 -4.468 -7.272 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.734 -6.062 -7.860 1.00 0.00 H new ATOM 0 HG SER A 96 7.953 -4.785 -9.126 1.00 0.00 H new ATOM 1460 N VAL A 97 4.414 -6.883 -6.820 1.00 0.00 N ATOM 1461 CA VAL A 97 3.880 -7.325 -5.601 1.00 0.00 C ATOM 1462 C VAL A 97 5.028 -7.599 -4.680 1.00 0.00 C ATOM 1463 O VAL A 97 6.049 -8.094 -5.115 1.00 0.00 O ATOM 1464 CB VAL A 97 3.034 -8.582 -5.826 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.685 -9.225 -4.556 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.765 -8.233 -6.486 1.00 0.00 C ATOM 0 H VAL A 97 5.060 -7.540 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 97 3.228 -6.570 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 97 3.630 -9.256 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.085 -10.114 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.596 -9.511 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.114 -8.529 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.174 -9.136 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.208 -7.537 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.972 -7.767 -7.449 1.00 0.00 H new ATOM 1476 N TRP A 98 4.880 -7.269 -3.452 1.00 0.00 N ATOM 1477 CA TRP A 98 5.893 -7.516 -2.508 1.00 0.00 C ATOM 1478 C TRP A 98 5.288 -8.315 -1.409 1.00 0.00 C ATOM 1479 O TRP A 98 4.156 -7.999 -0.950 1.00 0.00 O ATOM 1480 CB TRP A 98 6.495 -6.237 -1.939 1.00 0.00 C ATOM 1481 CG TRP A 98 7.773 -6.530 -1.248 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.974 -6.755 0.085 1.00 0.00 C ATOM 1483 CD2 TRP A 98 9.028 -6.690 -1.880 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.286 -7.060 0.308 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.953 -7.018 -0.887 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.458 -6.587 -3.205 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.276 -7.250 -1.168 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.780 -6.814 -3.490 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.683 -7.147 -2.474 1.00 0.00 C ATOM 0 H TRP A 98 4.047 -6.818 -3.075 1.00 0.00 H new ATOM 0 HA TRP A 98 6.708 -8.048 -2.999 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.664 -5.519 -2.741 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.795 -5.777 -1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.210 -6.700 0.847 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.700 -7.282 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.762 -6.333 -3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.975 -7.506 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.128 -6.735 -4.509 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.719 -7.326 -2.723 1.00 0.00 H new ATOM 1500 N CYS A 99 5.988 -9.353 -0.994 1.00 0.00 N ATOM 1501 CA CYS A 99 5.535 -10.148 0.097 1.00 0.00 C ATOM 1502 C CYS A 99 6.560 -10.060 1.135 1.00 0.00 C ATOM 1503 O CYS A 99 7.650 -10.575 0.963 1.00 0.00 O ATOM 1504 CB CYS A 99 5.287 -11.604 -0.294 1.00 0.00 C ATOM 1505 SG CYS A 99 4.792 -12.686 1.069 1.00 0.00 S ATOM 0 H CYS A 99 6.871 -9.654 -1.406 1.00 0.00 H new ATOM 0 HA CYS A 99 4.573 -9.773 0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.512 -11.632 -1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.196 -12.004 -0.744 1.00 0.00 H new ATOM 1510 N TYR A 100 6.220 -9.446 2.211 1.00 0.00 N ATOM 1511 CA TYR A 100 7.186 -9.168 3.256 1.00 0.00 C ATOM 1512 C TYR A 100 7.678 -10.425 3.935 1.00 0.00 C ATOM 1513 O TYR A 100 8.804 -10.492 4.390 1.00 0.00 O ATOM 1514 CB TYR A 100 6.605 -8.250 4.289 1.00 0.00 C ATOM 1515 CG TYR A 100 6.249 -6.877 3.806 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.232 -5.934 3.541 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.933 -6.521 3.638 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.904 -4.665 3.116 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.587 -5.251 3.216 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.582 -4.325 2.955 1.00 0.00 C ATOM 1521 OH TYR A 100 5.251 -3.056 2.534 1.00 0.00 O ATOM 0 H TYR A 100 5.275 -9.117 2.408 1.00 0.00 H new ATOM 0 HA TYR A 100 8.035 -8.688 2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.709 -8.715 4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.319 -8.154 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.271 -6.199 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.157 -7.245 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.680 -3.943 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.548 -4.983 3.091 1.00 0.00 H new ATOM 0 HH TYR A 100 5.966 -2.704 1.964 1.00 0.00 H new ATOM 1531 N VAL A 101 6.849 -11.428 3.965 1.00 0.00 N ATOM 1532 CA VAL A 101 7.203 -12.663 4.638 1.00 0.00 C ATOM 1533 C VAL A 101 8.018 -13.577 3.694 1.00 0.00 C ATOM 1534 O VAL A 101 8.775 -14.437 4.138 1.00 0.00 O ATOM 1535 CB VAL A 101 5.945 -13.359 5.203 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.009 -13.683 4.100 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.277 -14.591 6.028 1.00 0.00 C ATOM 0 H VAL A 101 5.924 -11.424 3.535 1.00 0.00 H new ATOM 0 HA VAL A 101 7.842 -12.434 5.491 1.00 0.00 H new ATOM 0 HB VAL A 101 5.461 -12.661 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.124 -14.174 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.714 -12.765 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.500 -14.349 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.356 -15.039 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.807 -15.313 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.907 -14.306 6.870 1.00 0.00 H new ATOM 1547 N CYS A 102 7.888 -13.349 2.386 1.00 0.00 N ATOM 1548 CA CYS A 102 8.720 -14.043 1.416 1.00 0.00 C ATOM 1549 C CYS A 102 10.022 -13.278 1.331 1.00 0.00 C ATOM 1550 O CYS A 102 11.118 -13.846 1.207 1.00 0.00 O ATOM 1551 CB CYS A 102 8.063 -14.060 0.041 1.00 0.00 C ATOM 1552 SG CYS A 102 6.920 -15.409 -0.311 1.00 0.00 S ATOM 0 H CYS A 102 7.219 -12.694 1.982 1.00 0.00 H new ATOM 0 HA CYS A 102 8.872 -15.077 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.526 -13.120 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.853 -14.082 -0.710 1.00 0.00 H new ATOM 1557 N ASP A 103 9.847 -11.976 1.482 1.00 0.00 N ATOM 1558 CA ASP A 103 10.890 -10.955 1.431 1.00 0.00 C ATOM 1559 C ASP A 103 11.447 -10.835 0.014 1.00 0.00 C ATOM 1560 O ASP A 103 12.634 -10.600 -0.209 1.00 0.00 O ATOM 1561 CB ASP A 103 11.976 -11.215 2.488 1.00 0.00 C ATOM 1562 CG ASP A 103 12.897 -10.028 2.717 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.466 -9.049 3.359 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.070 -10.072 2.306 1.00 0.00 O ATOM 0 H ASP A 103 8.924 -11.577 1.653 1.00 0.00 H new ATOM 0 HA ASP A 103 10.453 -9.989 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.498 -11.481 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.573 -12.074 2.180 1.00 0.00 H new ATOM 1569 N ASN A 104 10.556 -10.902 -0.950 1.00 0.00 N ATOM 1570 CA ASN A 104 10.912 -10.768 -2.299 1.00 0.00 C ATOM 1571 C ASN A 104 9.691 -10.200 -3.032 1.00 0.00 C ATOM 1572 O ASN A 104 8.609 -9.980 -2.402 1.00 0.00 O ATOM 1573 CB ASN A 104 11.287 -12.126 -2.893 1.00 0.00 C ATOM 1574 CG ASN A 104 10.098 -13.005 -3.053 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.794 -13.817 -2.224 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.432 -12.848 -4.127 1.00 0.00 N ATOM 0 H ASN A 104 9.560 -11.053 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 104 11.775 -10.110 -2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.764 -11.980 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.017 -12.616 -2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.609 -13.423 -4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.722 -12.147 -4.809 1.00 0.00 H new ATOM 1583 N GLU A 105 9.833 -10.033 -4.335 1.00 0.00 N ATOM 1584 CA GLU A 105 8.789 -9.552 -5.193 1.00 0.00 C ATOM 1585 C GLU A 105 7.994 -10.720 -5.777 1.00 0.00 C ATOM 1586 O GLU A 105 8.579 -11.617 -6.385 1.00 0.00 O ATOM 1587 CB GLU A 105 9.450 -8.827 -6.308 1.00 0.00 C ATOM 1588 CG GLU A 105 8.480 -8.091 -7.178 1.00 0.00 C ATOM 1589 CD GLU A 105 9.136 -7.236 -8.228 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.402 -7.744 -9.338 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.391 -6.044 -7.975 1.00 0.00 O ATOM 0 H GLU A 105 10.702 -10.236 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 105 8.106 -8.913 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.172 -8.120 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.009 -9.538 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.825 -8.812 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.849 -7.461 -6.551 1.00 0.00 H new ATOM 1598 N VAL A 106 6.698 -10.694 -5.638 1.00 0.00 N ATOM 1599 CA VAL A 106 5.877 -11.800 -6.073 1.00 0.00 C ATOM 1600 C VAL A 106 5.438 -11.575 -7.510 1.00 0.00 C ATOM 1601 O VAL A 106 5.305 -10.432 -7.962 1.00 0.00 O ATOM 1602 CB VAL A 106 4.637 -12.015 -5.159 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.951 -13.343 -5.469 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.049 -11.985 -3.710 1.00 0.00 C ATOM 0 H VAL A 106 6.181 -9.917 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 106 6.481 -12.705 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 106 3.932 -11.207 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.088 -13.468 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.623 -13.349 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.652 -14.162 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.173 -12.137 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.773 -12.777 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.499 -11.019 -3.480 1.00 0.00 H new ATOM 1614 N GLN A 107 5.213 -12.651 -8.192 1.00 0.00 N ATOM 1615 CA GLN A 107 4.853 -12.687 -9.539 1.00 0.00 C ATOM 1616 C GLN A 107 3.572 -13.478 -9.673 1.00 0.00 C ATOM 1617 O GLN A 107 3.371 -14.496 -9.010 1.00 0.00 O ATOM 1618 CB GLN A 107 5.974 -13.294 -10.420 1.00 0.00 C ATOM 1619 CG GLN A 107 6.508 -14.643 -9.942 1.00 0.00 C ATOM 1620 CD GLN A 107 7.467 -14.537 -8.762 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.240 -13.577 -8.656 1.00 0.00 O ATOM 1622 NE2 GLN A 107 7.349 -15.438 -7.831 1.00 0.00 N ATOM 0 H GLN A 107 5.286 -13.581 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 107 4.699 -11.668 -9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.596 -13.409 -11.436 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.803 -12.587 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.668 -15.278 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.017 -15.137 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.701 -16.216 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.905 -15.366 -6.979 1.00 0.00 H new ATOM 1631 N TYR A 108 2.736 -12.979 -10.473 1.00 0.00 N ATOM 1632 CA TYR A 108 1.426 -13.543 -10.765 1.00 0.00 C ATOM 1633 C TYR A 108 1.228 -13.672 -12.250 1.00 0.00 C ATOM 1634 O TYR A 108 1.838 -12.928 -13.022 1.00 0.00 O ATOM 1635 CB TYR A 108 0.323 -12.677 -10.157 1.00 0.00 C ATOM 1636 CG TYR A 108 0.513 -11.199 -10.361 1.00 0.00 C ATOM 1637 CD1 TYR A 108 1.227 -10.469 -9.443 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -0.013 -10.539 -11.458 1.00 0.00 C ATOM 1639 CE1 TYR A 108 1.424 -9.143 -9.589 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.176 -9.188 -11.623 1.00 0.00 C ATOM 1641 CZ TYR A 108 0.903 -8.488 -10.680 1.00 0.00 C ATOM 1642 OH TYR A 108 1.097 -7.129 -10.830 1.00 0.00 O ATOM 0 H TYR A 108 2.922 -12.119 -10.989 1.00 0.00 H new ATOM 0 HA TYR A 108 1.373 -14.536 -10.320 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.634 -12.971 -10.589 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.266 -12.880 -9.088 1.00 0.00 H new ATOM 0 HD1 TYR A 108 1.642 -10.970 -8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.579 -11.092 -12.193 1.00 0.00 H new ATOM 0 HE1 TYR A 108 1.990 -8.596 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.239 -8.679 -12.480 1.00 0.00 H new ATOM 0 HH TYR A 108 2.050 -6.922 -10.733 1.00 0.00 H new ATOM 1652 N CYS A 109 0.404 -14.605 -12.648 1.00 0.00 N ATOM 1653 CA CYS A 109 0.108 -14.837 -14.044 1.00 0.00 C ATOM 1654 C CYS A 109 -1.096 -15.763 -14.117 1.00 0.00 C ATOM 1655 O CYS A 109 -1.403 -16.437 -13.121 1.00 0.00 O ATOM 1656 CB CYS A 109 1.328 -15.477 -14.750 1.00 0.00 C ATOM 1657 SG CYS A 109 1.194 -15.611 -16.555 1.00 0.00 S ATOM 0 H CYS A 109 -0.086 -15.232 -12.010 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.112 -13.896 -14.548 1.00 0.00 H new ATOM 0 HB2 CYS A 109 2.215 -14.891 -14.510 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.484 -16.474 -14.338 1.00 0.00 H new ATOM 0 HG CYS A 109 2.273 -16.158 -17.031 1.00 0.00 H new ATOM 1663 N SER A 110 -1.802 -15.751 -15.246 1.00 0.00 N ATOM 1664 CA SER A 110 -2.943 -16.628 -15.490 1.00 0.00 C ATOM 1665 C SER A 110 -4.072 -16.387 -14.448 1.00 0.00 C ATOM 1666 O SER A 110 -4.237 -15.260 -13.955 1.00 0.00 O ATOM 1667 CB SER A 110 -2.450 -18.088 -15.513 1.00 0.00 C ATOM 1668 OG SER A 110 -1.458 -18.260 -16.525 1.00 0.00 O ATOM 0 H SER A 110 -1.595 -15.125 -16.024 1.00 0.00 H new ATOM 0 HA SER A 110 -3.386 -16.402 -16.460 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.037 -18.355 -14.540 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.289 -18.759 -15.698 1.00 0.00 H new ATOM 0 HG SER A 110 -1.152 -19.191 -16.528 1.00 0.00 H new ATOM 1674 N SER A 111 -4.835 -17.424 -14.115 1.00 0.00 N ATOM 1675 CA SER A 111 -5.966 -17.310 -13.191 1.00 0.00 C ATOM 1676 C SER A 111 -5.505 -17.320 -11.713 1.00 0.00 C ATOM 1677 O SER A 111 -6.236 -17.759 -10.822 1.00 0.00 O ATOM 1678 CB SER A 111 -6.915 -18.478 -13.451 1.00 0.00 C ATOM 1679 OG SER A 111 -7.190 -18.585 -14.852 1.00 0.00 O ATOM 0 H SER A 111 -4.690 -18.367 -14.476 1.00 0.00 H new ATOM 0 HA SER A 111 -6.469 -16.358 -13.363 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.472 -19.405 -13.088 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.844 -18.332 -12.900 1.00 0.00 H new ATOM 0 HG SER A 111 -7.798 -19.337 -15.010 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.312 -16.827 -11.460 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.799 -16.735 -10.107 1.00 0.00 C ATOM 1687 C ASN A 112 -4.514 -15.588 -9.418 1.00 0.00 C ATOM 1688 O ASN A 112 -4.653 -14.515 -10.012 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.294 -16.473 -10.120 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.693 -16.493 -8.733 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.659 -15.479 -8.055 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.205 -17.630 -8.321 1.00 0.00 N ATOM 0 H ASN A 112 -3.674 -16.481 -12.177 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.973 -17.672 -9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.802 -17.225 -10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.100 -15.505 -10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.774 -17.696 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.255 -18.454 -8.921 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.954 -15.807 -8.186 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.750 -14.829 -7.418 1.00 0.00 C ATOM 1701 C GLN A 113 -5.044 -13.483 -7.330 1.00 0.00 C ATOM 1702 O GLN A 113 -5.678 -12.430 -7.371 1.00 0.00 O ATOM 1703 CB GLN A 113 -5.989 -15.321 -5.995 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.046 -14.511 -5.240 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.983 -14.656 -3.731 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -8.003 -14.645 -3.052 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -5.804 -14.688 -3.190 1.00 0.00 N ATOM 0 H GLN A 113 -4.773 -16.673 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.697 -14.716 -7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.297 -16.366 -6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.050 -15.283 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.932 -13.458 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.035 -14.818 -5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.972 -14.696 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -5.709 -14.705 -2.175 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.731 -13.519 -7.239 1.00 0.00 N ATOM 1717 CA LEU A 114 -2.938 -12.328 -7.103 1.00 0.00 C ATOM 1718 C LEU A 114 -3.026 -11.508 -8.371 1.00 0.00 C ATOM 1719 O LEU A 114 -3.191 -10.289 -8.327 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.504 -12.744 -6.804 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.491 -11.650 -6.615 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.872 -10.765 -5.457 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.870 -12.255 -6.407 1.00 0.00 C ATOM 0 H LEU A 114 -3.187 -14.382 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.306 -11.707 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.512 -13.355 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.162 -13.383 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.466 -11.028 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.125 -9.980 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.845 -10.314 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.921 -11.360 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.604 -11.461 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.854 -12.891 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.140 -12.852 -7.278 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.993 -12.194 -9.483 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.128 -11.545 -10.747 1.00 0.00 C ATOM 1737 C GLY A 115 -4.522 -11.038 -10.946 1.00 0.00 C ATOM 1738 O GLY A 115 -4.701 -9.929 -11.436 1.00 0.00 O ATOM 0 H GLY A 115 -2.873 -13.206 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.424 -10.716 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.873 -12.241 -11.546 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.518 -11.852 -10.550 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.942 -11.485 -10.620 1.00 0.00 C ATOM 1744 C GLN A 116 -7.192 -10.202 -9.907 1.00 0.00 C ATOM 1745 O GLN A 116 -7.827 -9.292 -10.430 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.800 -12.530 -9.912 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.700 -13.914 -10.457 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.588 -14.891 -9.701 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -8.825 -14.741 -8.500 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -9.093 -15.881 -10.384 1.00 0.00 N ATOM 0 H GLN A 116 -5.356 -12.785 -10.172 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.195 -11.408 -11.677 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.521 -12.551 -8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.842 -12.213 -9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.981 -13.910 -11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.664 -14.250 -10.404 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.878 -15.978 -11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.703 -16.558 -9.926 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.637 -10.107 -8.737 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.908 -8.978 -7.909 1.00 0.00 C ATOM 1761 C VAL A 117 -6.177 -7.757 -8.361 1.00 0.00 C ATOM 1762 O VAL A 117 -6.766 -6.717 -8.451 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.755 -9.254 -6.413 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.627 -7.977 -5.615 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.969 -9.984 -5.968 1.00 0.00 C ATOM 0 H VAL A 117 -5.998 -10.795 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.970 -8.768 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.848 -9.835 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.520 -8.218 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.750 -7.424 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.518 -7.367 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.894 -10.198 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.851 -9.371 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.054 -10.919 -6.521 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.908 -7.883 -8.657 1.00 0.00 N ATOM 1776 CA VAL A 118 -4.138 -6.753 -9.214 1.00 0.00 C ATOM 1777 C VAL A 118 -4.760 -6.268 -10.515 1.00 0.00 C ATOM 1778 O VAL A 118 -4.778 -5.082 -10.794 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.656 -7.124 -9.447 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.910 -6.018 -10.188 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.973 -7.386 -8.131 1.00 0.00 C ATOM 0 H VAL A 118 -4.372 -8.742 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 118 -4.172 -5.949 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.637 -8.024 -10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.871 -6.314 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.379 -5.849 -11.158 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.946 -5.099 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.929 -7.646 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.023 -6.491 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.471 -8.210 -7.620 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.327 -7.170 -11.260 1.00 0.00 N ATOM 1792 CA ASP A 119 -6.004 -6.808 -12.510 1.00 0.00 C ATOM 1793 C ASP A 119 -7.258 -6.010 -12.155 1.00 0.00 C ATOM 1794 O ASP A 119 -7.508 -4.915 -12.683 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.404 -8.073 -13.272 1.00 0.00 C ATOM 1796 CG ASP A 119 -7.007 -7.795 -14.616 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.256 -7.723 -15.607 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.229 -7.674 -14.728 1.00 0.00 O ATOM 0 H ASP A 119 -5.344 -8.166 -11.040 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.339 -6.217 -13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.524 -8.704 -13.401 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -7.117 -8.639 -12.672 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.962 -6.523 -11.167 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.188 -5.927 -10.668 1.00 0.00 C ATOM 1805 C TYR A 120 -8.902 -4.528 -10.108 1.00 0.00 C ATOM 1806 O TYR A 120 -9.503 -3.530 -10.513 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.835 -6.870 -9.611 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.719 -6.196 -8.596 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.920 -5.624 -8.943 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.317 -6.118 -7.275 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.682 -4.978 -8.009 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -11.070 -5.495 -6.344 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.255 -4.914 -6.713 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.997 -4.238 -5.792 1.00 0.00 O ATOM 0 H TYR A 120 -7.696 -7.379 -10.680 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.903 -5.806 -11.482 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.422 -7.625 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.039 -7.395 -9.082 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.266 -5.685 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.379 -6.566 -6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.618 -4.520 -8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.741 -5.455 -5.316 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.793 -3.864 -6.224 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.920 -4.441 -9.278 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.577 -3.204 -8.628 1.00 0.00 C ATOM 1826 C VAL A 121 -6.965 -2.245 -9.599 1.00 0.00 C ATOM 1827 O VAL A 121 -7.030 -1.061 -9.395 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.631 -3.383 -7.441 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -7.235 -4.201 -6.355 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -5.352 -3.970 -7.890 1.00 0.00 C ATOM 0 H VAL A 121 -7.322 -5.227 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.515 -2.805 -8.243 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.441 -2.394 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.524 -4.299 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.141 -3.714 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.484 -5.190 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.688 -4.092 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.538 -4.942 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.885 -3.310 -8.621 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.382 -2.754 -10.650 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.853 -1.908 -11.661 1.00 0.00 C ATOM 1842 C ARG A 122 -6.989 -1.273 -12.401 1.00 0.00 C ATOM 1843 O ARG A 122 -6.910 -0.126 -12.769 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.908 -2.647 -12.582 1.00 0.00 C ATOM 1845 CG ARG A 122 -4.072 -1.728 -13.432 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.813 -2.426 -13.894 1.00 0.00 C ATOM 1847 NE ARG A 122 -3.073 -3.589 -14.750 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.140 -4.204 -15.485 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.922 -3.679 -15.604 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -2.436 -5.324 -16.121 1.00 0.00 N ATOM 0 H ARG A 122 -6.266 -3.753 -10.820 1.00 0.00 H new ATOM 0 HA ARG A 122 -5.253 -1.126 -11.197 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.250 -3.280 -11.986 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.484 -3.307 -13.230 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.649 -1.398 -14.296 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.811 -0.835 -12.863 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.191 -1.715 -14.438 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.243 -2.746 -13.022 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.026 -3.951 -14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.696 -2.803 -15.133 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.215 -4.153 -16.166 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.374 -5.718 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.726 -5.795 -16.682 1.00 0.00 H new ATOM 1864 N LYS A 123 -8.087 -1.998 -12.547 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.286 -1.427 -13.142 1.00 0.00 C ATOM 1866 C LYS A 123 -9.965 -0.486 -12.167 1.00 0.00 C ATOM 1867 O LYS A 123 -10.683 0.429 -12.557 1.00 0.00 O ATOM 1868 CB LYS A 123 -10.246 -2.528 -13.562 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.571 -3.496 -14.466 1.00 0.00 C ATOM 1870 CD LYS A 123 -10.542 -4.344 -15.250 1.00 0.00 C ATOM 1871 CE LYS A 123 -9.799 -5.298 -16.176 1.00 0.00 C ATOM 1872 NZ LYS A 123 -8.898 -4.582 -17.115 1.00 0.00 N ATOM 0 H LYS A 123 -8.173 -2.974 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.994 -0.861 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.621 -3.047 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -11.109 -2.093 -14.066 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.930 -2.951 -15.159 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.924 -4.145 -13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.172 -4.911 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -11.203 -3.703 -15.834 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.216 -6.000 -15.580 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -10.520 -5.885 -16.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.639 -5.215 -17.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.385 -3.744 -17.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.038 -4.284 -16.612 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.698 -0.699 -10.893 1.00 0.00 N ATOM 1887 CA GLN A 124 -10.245 0.198 -9.858 1.00 0.00 C ATOM 1888 C GLN A 124 -9.496 1.502 -9.880 1.00 0.00 C ATOM 1889 O GLN A 124 -10.077 2.591 -9.942 1.00 0.00 O ATOM 1890 CB GLN A 124 -10.147 -0.350 -8.427 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.972 -1.571 -8.110 1.00 0.00 C ATOM 1892 CD GLN A 124 -12.129 -1.771 -9.022 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -13.235 -1.280 -8.805 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.886 -2.528 -10.020 1.00 0.00 N ATOM 0 H GLN A 124 -9.121 -1.463 -10.541 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.301 0.309 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -9.102 -0.584 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.436 0.444 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.331 -2.452 -8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.338 -1.494 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.950 -2.910 -10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.628 -2.751 -10.683 1.00 0.00 H new ATOM 1903 N ALA A 125 -8.193 1.359 -9.847 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.245 2.430 -9.776 1.00 0.00 C ATOM 1905 C ALA A 125 -7.234 3.245 -11.029 1.00 0.00 C ATOM 1906 O ALA A 125 -7.066 4.463 -10.961 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.879 1.839 -9.503 1.00 0.00 C ATOM 0 H ALA A 125 -7.748 0.441 -9.870 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.528 3.106 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.141 2.639 -9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.900 1.296 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.611 1.156 -10.309 1.00 0.00 H new ATOM 1913 N SER A 126 -7.360 2.543 -12.154 1.00 0.00 N ATOM 1914 CA SER A 126 -7.465 3.126 -13.509 1.00 0.00 C ATOM 1915 C SER A 126 -8.234 4.480 -13.506 1.00 0.00 C ATOM 1916 O SER A 126 -9.493 4.487 -13.421 1.00 0.00 O ATOM 1917 CB SER A 126 -8.141 2.103 -14.453 1.00 0.00 C ATOM 1918 OG SER A 126 -8.105 2.499 -15.824 1.00 0.00 O ATOM 1919 OXT SER A 126 -7.571 5.545 -13.575 1.00 0.00 O ATOM 0 H SER A 126 -7.394 1.524 -12.158 1.00 0.00 H new ATOM 0 HA SER A 126 -6.460 3.343 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.647 1.137 -14.347 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.178 1.966 -14.148 1.00 0.00 H new ATOM 0 HG SER A 126 -8.544 1.816 -16.373 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.645 7.411 3.699 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.357 -4.139 5.515 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 4.825 -14.890 0.378 1.00 0.00 ZN