USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 88 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 90 HIS : no HE2:sc= -0.601 X(o=-0.6,f=-1.1) USER MOD Set 2.1: A 37 TYR OH : rot 120:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0142) USER MOD Single : A 1 ALA N :NH3+ -125:sc= -0.595 (180deg=-2.62!) USER MOD Single : A 5 GLN : amide:sc= -0.0325 K(o=-0.032,f=-1.6!) USER MOD Single : A 11 THR OG1 : rot 65:sc= 0.134! USER MOD Single : A 13 GLN : amide:sc= -2.45! C(o=-2.4!,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc= -12.5! C(o=-12!,f=-16!) USER MOD Single : A 19 SER OG : rot 45:sc= -0.363 USER MOD Single : A 20 GLN : amide:sc= -2.86! C(o=-2.9!,f=-8.9!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00922 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.26! USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 22:sc= 0.507 USER MOD Single : A 55 SER OG : rot -160:sc= -0.102 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 62:sc= -0.349! USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.103) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.076 K(o=-0.076,f=-1) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 71 MET CE :methyl -161:sc= -0.243 (180deg=-1.65) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 80 THR OG1 : rot 178:sc= -3.02! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -5.09! C(o=-7.8!,f=-5.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.54 (180deg=-1.05) USER MOD Single : A 92 SER OG : rot 95:sc= 0.795 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot -25:sc= 0.0501 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot -154:sc= 1.11 USER MOD Single : A1078 NAG O6 : rot 180:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.480 18.841 -7.705 1.00 0.00 N ATOM 2 CA ALA A 1 -8.922 19.760 -8.729 1.00 0.00 C ATOM 3 C ALA A 1 -7.400 19.663 -8.785 1.00 0.00 C ATOM 4 O ALA A 1 -6.836 19.184 -9.768 1.00 0.00 O ATOM 5 CB ALA A 1 -9.353 21.191 -8.442 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.187 18.219 -8.146 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.714 18.264 -7.302 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.930 19.396 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.313 19.462 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.937 21.855 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.441 21.254 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.990 21.490 -7.459 1.00 0.00 H new ATOM 13 N PRO A 2 -6.716 20.121 -7.725 1.00 0.00 N ATOM 14 CA PRO A 2 -5.252 20.087 -7.652 1.00 0.00 C ATOM 15 C PRO A 2 -4.715 18.684 -7.385 1.00 0.00 C ATOM 16 O PRO A 2 -5.484 17.740 -7.198 1.00 0.00 O ATOM 17 CB PRO A 2 -4.944 21.015 -6.477 1.00 0.00 C ATOM 18 CG PRO A 2 -6.139 20.907 -5.596 1.00 0.00 C ATOM 19 CD PRO A 2 -7.317 20.711 -6.513 1.00 0.00 C ATOM 0 HA PRO A 2 -4.785 20.390 -8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.037 20.708 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.788 22.041 -6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.039 20.070 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.261 21.806 -4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.063 20.050 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.817 21.655 -6.732 1.00 0.00 H new ATOM 27 N ASP A 3 -3.392 18.554 -7.368 1.00 0.00 N ATOM 28 CA ASP A 3 -2.753 17.265 -7.124 1.00 0.00 C ATOM 29 C ASP A 3 -3.014 16.790 -5.698 1.00 0.00 C ATOM 30 O ASP A 3 -3.892 17.313 -5.011 1.00 0.00 O ATOM 31 CB ASP A 3 -1.246 17.361 -7.372 1.00 0.00 C ATOM 32 CG ASP A 3 -0.893 18.413 -8.406 1.00 0.00 C ATOM 33 OD1 ASP A 3 -1.737 18.691 -9.283 1.00 0.00 O ATOM 34 OD2 ASP A 3 0.229 18.958 -8.338 1.00 0.00 O ATOM 0 H ASP A 3 -2.742 19.325 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.182 16.540 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.741 17.594 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.873 16.392 -7.703 1.00 0.00 H new ATOM 39 N VAL A 4 -2.248 15.797 -5.260 1.00 0.00 N ATOM 40 CA VAL A 4 -2.397 15.254 -3.916 1.00 0.00 C ATOM 41 C VAL A 4 -1.804 13.853 -3.817 1.00 0.00 C ATOM 42 O VAL A 4 -2.530 12.859 -3.822 1.00 0.00 O ATOM 43 CB VAL A 4 -3.877 15.198 -3.495 1.00 0.00 C ATOM 44 CG1 VAL A 4 -4.733 14.658 -4.630 1.00 0.00 C ATOM 45 CG2 VAL A 4 -4.043 14.350 -2.242 1.00 0.00 C ATOM 0 H VAL A 4 -1.518 15.352 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.857 15.923 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.211 16.210 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.776 14.625 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.637 15.308 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.401 13.653 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.095 14.321 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.693 13.337 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.460 14.784 -1.429 1.00 0.00 H new ATOM 55 N GLN A 5 -0.480 13.779 -3.723 1.00 0.00 N ATOM 56 CA GLN A 5 0.206 12.497 -3.618 1.00 0.00 C ATOM 57 C GLN A 5 0.295 12.051 -2.164 1.00 0.00 C ATOM 58 O GLN A 5 1.340 11.586 -1.710 1.00 0.00 O ATOM 59 CB GLN A 5 1.608 12.592 -4.220 1.00 0.00 C ATOM 60 CG GLN A 5 1.618 12.587 -5.739 1.00 0.00 C ATOM 61 CD GLN A 5 1.420 11.200 -6.317 1.00 0.00 C ATOM 62 OE1 GLN A 5 1.604 10.195 -5.629 1.00 0.00 O ATOM 63 NE2 GLN A 5 1.042 11.136 -7.589 1.00 0.00 N ATOM 0 H GLN A 5 0.138 14.591 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.369 11.758 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.086 13.505 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.207 11.757 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.831 13.246 -6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.565 12.993 -6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.901 11.994 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.893 10.229 -8.032 1.00 0.00 H new ATOM 72 N ASP A 6 -0.808 12.201 -1.436 1.00 0.00 N ATOM 73 CA ASP A 6 -0.851 11.816 -0.031 1.00 0.00 C ATOM 74 C ASP A 6 -1.427 10.414 0.139 1.00 0.00 C ATOM 75 O ASP A 6 -2.635 10.207 0.028 1.00 0.00 O ATOM 76 CB ASP A 6 -1.680 12.820 0.771 1.00 0.00 C ATOM 77 CG ASP A 6 -1.207 14.247 0.574 1.00 0.00 C ATOM 78 OD1 ASP A 6 -0.011 14.439 0.268 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.032 15.172 0.728 1.00 0.00 O ATOM 0 H ASP A 6 -1.681 12.586 -1.796 1.00 0.00 H new ATOM 0 HA ASP A 6 0.172 11.814 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.726 12.743 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.629 12.566 1.830 1.00 0.00 H new ATOM 84 N CYS A 7 -0.550 9.455 0.415 1.00 0.00 N ATOM 85 CA CYS A 7 -0.961 8.069 0.609 1.00 0.00 C ATOM 86 C CYS A 7 -1.977 7.636 -0.443 1.00 0.00 C ATOM 87 O CYS A 7 -3.154 7.437 -0.139 1.00 0.00 O ATOM 88 CB CYS A 7 -1.552 7.879 2.007 1.00 0.00 C ATOM 89 SG CYS A 7 -1.607 6.142 2.560 1.00 0.00 S ATOM 0 H CYS A 7 0.453 9.613 0.510 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.074 7.445 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.965 8.458 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.563 8.286 2.021 1.00 0.00 H new ATOM 94 N PRO A 8 -1.531 7.473 -1.696 1.00 0.00 N ATOM 95 CA PRO A 8 -2.399 7.047 -2.795 1.00 0.00 C ATOM 96 C PRO A 8 -2.647 5.543 -2.767 1.00 0.00 C ATOM 97 O PRO A 8 -2.295 4.868 -1.800 1.00 0.00 O ATOM 98 CB PRO A 8 -1.592 7.431 -4.031 1.00 0.00 C ATOM 99 CG PRO A 8 -0.174 7.288 -3.598 1.00 0.00 C ATOM 100 CD PRO A 8 -0.141 7.682 -2.142 1.00 0.00 C ATOM 0 HA PRO A 8 -3.388 7.504 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.819 6.778 -4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.811 8.450 -4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.174 6.264 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.481 7.927 -4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.559 7.067 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.170 8.719 -2.014 1.00 0.00 H new ATOM 108 N GLU A 9 -3.246 5.020 -3.831 1.00 0.00 N ATOM 109 CA GLU A 9 -3.525 3.592 -3.915 1.00 0.00 C ATOM 110 C GLU A 9 -2.286 2.782 -3.550 1.00 0.00 C ATOM 111 O GLU A 9 -1.329 2.711 -4.321 1.00 0.00 O ATOM 112 CB GLU A 9 -3.995 3.224 -5.322 1.00 0.00 C ATOM 113 CG GLU A 9 -4.102 1.726 -5.558 1.00 0.00 C ATOM 114 CD GLU A 9 -3.596 1.314 -6.927 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.293 1.589 -7.926 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.501 0.716 -7.000 1.00 0.00 O ATOM 0 H GLU A 9 -3.546 5.560 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.318 3.356 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.968 3.682 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.303 3.649 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.534 1.200 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.142 1.418 -5.451 1.00 0.00 H new ATOM 123 N CYS A 10 -2.310 2.178 -2.367 1.00 0.00 N ATOM 124 CA CYS A 10 -1.186 1.377 -1.893 1.00 0.00 C ATOM 125 C CYS A 10 -0.504 0.656 -3.050 1.00 0.00 C ATOM 126 O CYS A 10 -1.166 0.122 -3.939 1.00 0.00 O ATOM 127 CB CYS A 10 -1.657 0.362 -0.846 1.00 0.00 C ATOM 128 SG CYS A 10 -0.657 -1.162 -0.775 1.00 0.00 S ATOM 0 H CYS A 10 -3.095 2.228 -1.718 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.463 2.050 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.644 0.837 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.692 0.094 -1.057 1.00 0.00 H new ATOM 133 N THR A 11 0.824 0.646 -3.031 1.00 0.00 N ATOM 134 CA THR A 11 1.597 -0.008 -4.074 1.00 0.00 C ATOM 135 C THR A 11 3.064 0.340 -3.940 1.00 0.00 C ATOM 136 O THR A 11 3.492 0.894 -2.932 1.00 0.00 O ATOM 137 CB THR A 11 1.093 0.396 -5.459 1.00 0.00 C ATOM 138 OG1 THR A 11 1.947 -0.107 -6.472 1.00 0.00 O ATOM 139 CG2 THR A 11 0.990 1.895 -5.640 1.00 0.00 C ATOM 0 H THR A 11 1.386 1.085 -2.302 1.00 0.00 H new ATOM 0 HA THR A 11 1.474 -1.085 -3.960 1.00 0.00 H new ATOM 0 HB THR A 11 0.094 -0.033 -5.542 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.915 -1.086 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.627 2.116 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.297 2.303 -4.905 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.972 2.346 -5.502 1.00 0.00 H new ATOM 147 N LEU A 12 3.826 0.008 -4.962 1.00 0.00 N ATOM 148 CA LEU A 12 5.250 0.279 -4.963 1.00 0.00 C ATOM 149 C LEU A 12 5.535 1.714 -5.354 1.00 0.00 C ATOM 150 O LEU A 12 4.962 2.237 -6.310 1.00 0.00 O ATOM 151 CB LEU A 12 5.953 -0.667 -5.920 1.00 0.00 C ATOM 152 CG LEU A 12 6.080 -2.096 -5.414 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.705 -2.689 -5.164 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.852 -2.932 -6.417 1.00 0.00 C ATOM 0 H LEU A 12 3.482 -0.451 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 12 5.627 0.122 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.411 -0.677 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.950 -0.279 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 12 6.626 -2.093 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.810 -3.712 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.182 -2.092 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.135 -2.690 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.939 -3.954 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.325 -2.934 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.847 -2.509 -6.553 1.00 0.00 H new ATOM 166 N GLN A 13 6.431 2.346 -4.615 1.00 0.00 N ATOM 167 CA GLN A 13 6.794 3.721 -4.899 1.00 0.00 C ATOM 168 C GLN A 13 8.239 3.817 -5.315 1.00 0.00 C ATOM 169 O GLN A 13 9.053 4.487 -4.682 1.00 0.00 O ATOM 170 CB GLN A 13 6.538 4.605 -3.707 1.00 0.00 C ATOM 171 CG GLN A 13 5.062 4.790 -3.418 1.00 0.00 C ATOM 172 CD GLN A 13 4.740 6.148 -2.826 1.00 0.00 C ATOM 173 OE1 GLN A 13 5.546 6.732 -2.103 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.552 6.657 -3.133 1.00 0.00 N ATOM 0 H GLN A 13 6.917 1.931 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 13 6.170 4.066 -5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.024 4.175 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.995 5.580 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.497 4.659 -4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.732 4.012 -2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.915 6.137 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.277 7.568 -2.765 1.00 0.00 H new ATOM 183 N GLU A 14 8.520 3.114 -6.385 1.00 0.00 N ATOM 184 CA GLU A 14 9.855 3.040 -6.968 1.00 0.00 C ATOM 185 C GLU A 14 10.855 3.857 -6.184 1.00 0.00 C ATOM 186 O GLU A 14 10.704 5.064 -5.999 1.00 0.00 O ATOM 187 CB GLU A 14 9.861 3.492 -8.418 1.00 0.00 C ATOM 188 CG GLU A 14 11.253 3.510 -9.033 1.00 0.00 C ATOM 189 CD GLU A 14 11.395 4.550 -10.128 1.00 0.00 C ATOM 190 OE1 GLU A 14 10.506 5.419 -10.243 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.397 4.495 -10.872 1.00 0.00 O ATOM 0 H GLU A 14 7.823 2.566 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 14 10.149 1.991 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.221 2.830 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.429 4.491 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.988 3.707 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.478 2.525 -9.442 1.00 0.00 H new ATOM 198 N ASN A 15 11.871 3.170 -5.732 1.00 0.00 N ATOM 199 CA ASN A 15 12.929 3.771 -4.950 1.00 0.00 C ATOM 200 C ASN A 15 13.545 4.974 -5.645 1.00 0.00 C ATOM 201 O ASN A 15 14.386 4.823 -6.532 1.00 0.00 O ATOM 202 CB ASN A 15 14.009 2.744 -4.659 1.00 0.00 C ATOM 203 CG ASN A 15 14.383 2.707 -3.194 1.00 0.00 C ATOM 204 OD1 ASN A 15 15.471 3.133 -2.805 1.00 0.00 O ATOM 205 ND2 ASN A 15 13.478 2.198 -2.372 1.00 0.00 N ATOM 0 H ASN A 15 11.992 2.170 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 15 12.484 4.118 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.663 1.758 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.894 2.972 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.669 2.147 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.590 1.857 -2.740 1.00 0.00 H new ATOM 212 N PRO A 16 13.179 6.193 -5.217 1.00 0.00 N ATOM 213 CA PRO A 16 13.752 7.413 -5.775 1.00 0.00 C ATOM 214 C PRO A 16 15.171 7.587 -5.256 1.00 0.00 C ATOM 215 O PRO A 16 15.776 8.654 -5.362 1.00 0.00 O ATOM 216 CB PRO A 16 12.835 8.512 -5.243 1.00 0.00 C ATOM 217 CG PRO A 16 12.302 7.971 -3.960 1.00 0.00 C ATOM 218 CD PRO A 16 12.229 6.472 -4.124 1.00 0.00 C ATOM 0 HA PRO A 16 13.813 7.415 -6.863 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.382 9.442 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.031 8.731 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.951 8.239 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.318 8.386 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.511 5.955 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.220 6.146 -4.377 1.00 0.00 H new ATOM 226 N PHE A 17 15.672 6.502 -4.675 1.00 0.00 N ATOM 227 CA PHE A 17 16.999 6.445 -4.095 1.00 0.00 C ATOM 228 C PHE A 17 17.918 5.578 -4.946 1.00 0.00 C ATOM 229 O PHE A 17 18.981 6.016 -5.386 1.00 0.00 O ATOM 230 CB PHE A 17 16.891 5.846 -2.693 1.00 0.00 C ATOM 231 CG PHE A 17 17.918 6.352 -1.735 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.025 7.043 -2.188 1.00 0.00 C ATOM 233 CD2 PHE A 17 17.770 6.135 -0.377 1.00 0.00 C ATOM 234 CE1 PHE A 17 19.973 7.515 -1.300 1.00 0.00 C ATOM 235 CE2 PHE A 17 18.712 6.603 0.518 1.00 0.00 C ATOM 236 CZ PHE A 17 19.816 7.295 0.056 1.00 0.00 C ATOM 0 H PHE A 17 15.155 5.626 -4.595 1.00 0.00 H new ATOM 0 HA PHE A 17 17.417 7.451 -4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.900 6.060 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 17 16.979 4.762 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.151 7.216 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.909 5.594 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.835 8.055 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 17 18.586 6.429 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.554 7.663 0.753 1.00 0.00 H new ATOM 246 N PHE A 18 17.494 4.337 -5.159 1.00 0.00 N ATOM 247 CA PHE A 18 18.262 3.380 -5.944 1.00 0.00 C ATOM 248 C PHE A 18 17.823 3.385 -7.402 1.00 0.00 C ATOM 249 O PHE A 18 18.343 2.628 -8.221 1.00 0.00 O ATOM 250 CB PHE A 18 18.083 1.983 -5.361 1.00 0.00 C ATOM 251 CG PHE A 18 17.865 1.982 -3.876 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.395 2.988 -3.090 1.00 0.00 C ATOM 253 CD2 PHE A 18 17.133 0.977 -3.267 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.202 2.995 -1.722 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.935 0.976 -1.899 1.00 0.00 C ATOM 256 CZ PHE A 18 17.471 1.987 -1.125 1.00 0.00 C ATOM 0 H PHE A 18 16.615 3.969 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 18 19.312 3.668 -5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.234 1.501 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.964 1.385 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.968 3.779 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.712 0.185 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.622 3.788 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.362 0.186 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.319 1.989 -0.056 1.00 0.00 H new ATOM 266 N SER A 19 16.852 4.230 -7.712 1.00 0.00 N ATOM 267 CA SER A 19 16.325 4.329 -9.064 1.00 0.00 C ATOM 268 C SER A 19 17.367 4.863 -10.037 1.00 0.00 C ATOM 269 O SER A 19 17.687 6.052 -10.035 1.00 0.00 O ATOM 270 CB SER A 19 15.087 5.224 -9.087 1.00 0.00 C ATOM 271 OG SER A 19 15.323 6.440 -8.398 1.00 0.00 O ATOM 0 H SER A 19 16.411 4.860 -7.042 1.00 0.00 H new ATOM 0 HA SER A 19 16.051 3.323 -9.383 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.807 5.436 -10.119 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.247 4.700 -8.630 1.00 0.00 H new ATOM 0 HG SER A 19 16.196 6.800 -8.659 1.00 0.00 H new ATOM 277 N GLN A 20 17.880 3.975 -10.877 1.00 0.00 N ATOM 278 CA GLN A 20 18.876 4.346 -11.876 1.00 0.00 C ATOM 279 C GLN A 20 18.321 4.132 -13.282 1.00 0.00 C ATOM 280 O GLN A 20 17.312 3.451 -13.461 1.00 0.00 O ATOM 281 CB GLN A 20 20.156 3.526 -11.690 1.00 0.00 C ATOM 282 CG GLN A 20 20.370 3.042 -10.265 1.00 0.00 C ATOM 283 CD GLN A 20 20.717 4.170 -9.313 1.00 0.00 C ATOM 284 OE1 GLN A 20 19.875 4.625 -8.538 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.963 4.627 -9.365 1.00 0.00 N ATOM 0 H GLN A 20 17.622 2.988 -10.887 1.00 0.00 H new ATOM 0 HA GLN A 20 19.115 5.401 -11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.125 2.664 -12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.011 4.131 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.467 2.541 -9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.170 2.302 -10.253 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.628 4.221 -10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.255 5.384 -8.747 1.00 0.00 H new ATOM 294 N PRO A 21 18.979 4.712 -14.299 1.00 0.00 N ATOM 295 CA PRO A 21 18.553 4.582 -15.698 1.00 0.00 C ATOM 296 C PRO A 21 18.596 3.132 -16.166 1.00 0.00 C ATOM 297 O PRO A 21 19.317 2.789 -17.104 1.00 0.00 O ATOM 298 CB PRO A 21 19.571 5.427 -16.476 1.00 0.00 C ATOM 299 CG PRO A 21 20.214 6.305 -15.455 1.00 0.00 C ATOM 300 CD PRO A 21 20.187 5.535 -14.167 1.00 0.00 C ATOM 0 HA PRO A 21 17.524 4.909 -15.844 1.00 0.00 H new ATOM 0 HB2 PRO A 21 20.308 4.796 -16.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.082 6.017 -17.251 1.00 0.00 H new ATOM 0 HG2 PRO A 21 21.237 6.551 -15.741 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.675 7.248 -15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.081 4.923 -14.044 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.132 6.197 -13.302 1.00 0.00 H new ATOM 308 N GLY A 22 17.823 2.288 -15.494 1.00 0.00 N ATOM 309 CA GLY A 22 17.780 0.879 -15.832 1.00 0.00 C ATOM 310 C GLY A 22 17.312 0.034 -14.669 1.00 0.00 C ATOM 311 O GLY A 22 16.876 -1.103 -14.850 1.00 0.00 O ATOM 0 H GLY A 22 17.221 2.557 -14.716 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.113 0.730 -16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.771 0.550 -16.144 1.00 0.00 H new ATOM 315 N ALA A 23 17.404 0.593 -13.468 1.00 0.00 N ATOM 316 CA ALA A 23 16.989 -0.113 -12.268 1.00 0.00 C ATOM 317 C ALA A 23 16.384 0.838 -11.263 1.00 0.00 C ATOM 318 O ALA A 23 17.076 1.583 -10.570 1.00 0.00 O ATOM 319 CB ALA A 23 18.163 -0.865 -11.673 1.00 0.00 C ATOM 0 H ALA A 23 17.763 1.533 -13.302 1.00 0.00 H new ATOM 0 HA ALA A 23 16.220 -0.836 -12.539 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.841 -1.390 -10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.539 -1.585 -12.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.954 -0.160 -11.417 1.00 0.00 H new ATOM 325 N PRO A 24 15.058 0.837 -11.227 1.00 0.00 N ATOM 326 CA PRO A 24 14.259 1.693 -10.386 1.00 0.00 C ATOM 327 C PRO A 24 13.646 0.981 -9.189 1.00 0.00 C ATOM 328 O PRO A 24 12.447 0.707 -9.165 1.00 0.00 O ATOM 329 CB PRO A 24 13.187 2.108 -11.386 1.00 0.00 C ATOM 330 CG PRO A 24 13.017 0.920 -12.298 1.00 0.00 C ATOM 331 CD PRO A 24 14.198 0.018 -12.072 1.00 0.00 C ATOM 0 HA PRO A 24 14.824 2.501 -9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.252 2.355 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.491 2.993 -11.945 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.086 0.397 -12.080 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.968 1.238 -13.340 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.911 -0.912 -11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.687 -0.254 -13.008 1.00 0.00 H new ATOM 339 N ILE A 25 14.481 0.693 -8.197 1.00 0.00 N ATOM 340 CA ILE A 25 14.053 0.033 -6.989 1.00 0.00 C ATOM 341 C ILE A 25 12.674 0.477 -6.527 1.00 0.00 C ATOM 342 O ILE A 25 12.001 1.252 -7.203 1.00 0.00 O ATOM 343 CB ILE A 25 15.085 0.269 -5.890 1.00 0.00 C ATOM 344 CG1 ILE A 25 16.337 -0.486 -6.261 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.556 -0.232 -4.569 1.00 0.00 C ATOM 346 CD1 ILE A 25 16.005 -1.875 -6.729 1.00 0.00 C ATOM 0 H ILE A 25 15.476 0.916 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 25 13.975 -1.032 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 25 15.297 1.334 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.870 0.049 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.004 -0.537 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.299 -0.059 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.638 0.300 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.348 -1.299 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.924 -2.400 -6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.493 -2.415 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.357 -1.819 -7.604 1.00 0.00 H new ATOM 358 N LEU A 26 12.221 -0.076 -5.401 1.00 0.00 N ATOM 359 CA LEU A 26 10.890 0.208 -4.916 1.00 0.00 C ATOM 360 C LEU A 26 10.747 0.229 -3.421 1.00 0.00 C ATOM 361 O LEU A 26 11.707 0.309 -2.659 1.00 0.00 O ATOM 362 CB LEU A 26 9.996 -0.869 -5.465 1.00 0.00 C ATOM 363 CG LEU A 26 10.628 -1.563 -6.639 1.00 0.00 C ATOM 364 CD1 LEU A 26 10.223 -3.015 -6.703 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.304 -0.836 -7.930 1.00 0.00 C ATOM 0 H LEU A 26 12.760 -0.717 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 26 10.631 1.214 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.780 -1.597 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.044 -0.434 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 26 11.709 -1.537 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.697 -3.487 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.539 -3.521 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.140 -3.087 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.771 -1.355 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.224 -0.814 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.684 0.184 -7.878 1.00 0.00 H new ATOM 377 N GLN A 27 9.490 0.158 -3.048 1.00 0.00 N ATOM 378 CA GLN A 27 9.072 0.164 -1.656 1.00 0.00 C ATOM 379 C GLN A 27 7.575 0.441 -1.569 1.00 0.00 C ATOM 380 O GLN A 27 7.136 1.588 -1.650 1.00 0.00 O ATOM 381 CB GLN A 27 9.865 1.209 -0.872 1.00 0.00 C ATOM 382 CG GLN A 27 9.142 1.740 0.357 1.00 0.00 C ATOM 383 CD GLN A 27 9.913 2.843 1.055 1.00 0.00 C ATOM 384 OE1 GLN A 27 10.480 2.636 2.128 1.00 0.00 O ATOM 385 NE2 GLN A 27 9.939 4.024 0.449 1.00 0.00 N ATOM 0 H GLN A 27 8.715 0.093 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 27 9.271 -0.813 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.814 0.772 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.099 2.044 -1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.162 2.116 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.973 0.921 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.455 4.152 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.443 4.803 0.872 1.00 0.00 H new ATOM 394 N CYS A 28 6.796 -0.625 -1.425 1.00 0.00 N ATOM 395 CA CYS A 28 5.346 -0.510 -1.351 1.00 0.00 C ATOM 396 C CYS A 28 4.950 0.623 -0.409 1.00 0.00 C ATOM 397 O CYS A 28 5.090 0.502 0.808 1.00 0.00 O ATOM 398 CB CYS A 28 4.715 -1.827 -0.879 1.00 0.00 C ATOM 399 SG CYS A 28 3.286 -2.367 -1.881 1.00 0.00 S ATOM 0 H CYS A 28 7.146 -1.581 -1.357 1.00 0.00 H new ATOM 0 HA CYS A 28 4.974 -0.287 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.474 -2.609 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.397 -1.715 0.158 1.00 0.00 H new ATOM 404 N MET A 29 4.461 1.726 -0.968 1.00 0.00 N ATOM 405 CA MET A 29 4.059 2.870 -0.156 1.00 0.00 C ATOM 406 C MET A 29 2.658 3.341 -0.520 1.00 0.00 C ATOM 407 O MET A 29 2.307 3.434 -1.697 1.00 0.00 O ATOM 408 CB MET A 29 5.051 4.023 -0.317 1.00 0.00 C ATOM 409 CG MET A 29 5.330 4.769 0.979 1.00 0.00 C ATOM 410 SD MET A 29 4.006 5.911 1.423 1.00 0.00 S ATOM 411 CE MET A 29 4.228 6.020 3.198 1.00 0.00 C ATOM 0 H MET A 29 4.334 1.852 -1.972 1.00 0.00 H new ATOM 0 HA MET A 29 4.055 2.547 0.885 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.989 3.632 -0.711 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.663 4.725 -1.055 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.469 4.049 1.785 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.264 5.322 0.881 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.480 6.693 3.618 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.115 5.030 3.640 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.224 6.404 3.417 1.00 0.00 H new ATOM 421 N GLY A 30 1.864 3.638 0.500 1.00 0.00 N ATOM 422 CA GLY A 30 0.509 4.097 0.276 1.00 0.00 C ATOM 423 C GLY A 30 -0.463 3.519 1.282 1.00 0.00 C ATOM 424 O GLY A 30 -0.134 3.371 2.459 1.00 0.00 O ATOM 0 H GLY A 30 2.136 3.569 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.482 5.185 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.195 3.821 -0.731 1.00 0.00 H new ATOM 428 N CYS A 31 -1.662 3.192 0.820 1.00 0.00 N ATOM 429 CA CYS A 31 -2.685 2.626 1.688 1.00 0.00 C ATOM 430 C CYS A 31 -3.632 1.736 0.894 1.00 0.00 C ATOM 431 O CYS A 31 -3.948 2.026 -0.260 1.00 0.00 O ATOM 432 CB CYS A 31 -3.468 3.745 2.378 1.00 0.00 C ATOM 433 SG CYS A 31 -3.242 5.387 1.620 1.00 0.00 S ATOM 0 H CYS A 31 -1.950 3.309 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.194 2.016 2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.528 3.493 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.165 3.795 3.424 1.00 0.00 H new ATOM 438 N CYS A 32 -4.085 0.653 1.516 1.00 0.00 N ATOM 439 CA CYS A 32 -4.999 -0.276 0.862 1.00 0.00 C ATOM 440 C CYS A 32 -6.396 0.331 0.745 1.00 0.00 C ATOM 441 O CYS A 32 -7.392 -0.307 1.087 1.00 0.00 O ATOM 442 CB CYS A 32 -5.062 -1.595 1.639 1.00 0.00 C ATOM 443 SG CYS A 32 -3.458 -2.447 1.796 1.00 0.00 S ATOM 0 H CYS A 32 -3.835 0.397 2.471 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.624 -0.474 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.455 -1.398 2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.768 -2.262 1.144 1.00 0.00 H new ATOM 448 N PHE A 33 -6.459 1.568 0.256 1.00 0.00 N ATOM 449 CA PHE A 33 -7.729 2.266 0.088 1.00 0.00 C ATOM 450 C PHE A 33 -8.369 2.577 1.437 1.00 0.00 C ATOM 451 O PHE A 33 -8.492 3.739 1.823 1.00 0.00 O ATOM 452 CB PHE A 33 -8.681 1.432 -0.768 1.00 0.00 C ATOM 453 CG PHE A 33 -8.028 0.848 -1.987 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.946 1.580 -3.161 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.493 -0.430 -1.959 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.343 1.047 -4.285 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.889 -0.968 -3.080 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.815 -0.228 -4.245 1.00 0.00 C ATOM 0 H PHE A 33 -5.642 2.107 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.531 3.211 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.090 0.624 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.520 2.055 -1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.358 2.578 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.549 -1.012 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.285 1.628 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.476 -1.965 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.345 -0.647 -5.123 1.00 0.00 H new ATOM 468 N SER A 34 -8.775 1.533 2.151 1.00 0.00 N ATOM 469 CA SER A 34 -9.402 1.700 3.456 1.00 0.00 C ATOM 470 C SER A 34 -10.783 2.338 3.320 1.00 0.00 C ATOM 471 O SER A 34 -11.005 3.181 2.452 1.00 0.00 O ATOM 472 CB SER A 34 -8.516 2.557 4.364 1.00 0.00 C ATOM 473 OG SER A 34 -7.236 1.970 4.532 1.00 0.00 O ATOM 0 H SER A 34 -8.681 0.563 1.848 1.00 0.00 H new ATOM 0 HA SER A 34 -9.522 0.713 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.409 3.554 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.995 2.677 5.336 1.00 0.00 H new ATOM 0 HG SER A 34 -6.690 2.538 5.114 1.00 0.00 H new ATOM 479 N ARG A 35 -11.706 1.927 4.184 1.00 0.00 N ATOM 480 CA ARG A 35 -13.066 2.455 4.162 1.00 0.00 C ATOM 481 C ARG A 35 -13.200 3.642 5.114 1.00 0.00 C ATOM 482 O ARG A 35 -12.209 4.286 5.455 1.00 0.00 O ATOM 483 CB ARG A 35 -14.062 1.352 4.538 1.00 0.00 C ATOM 484 CG ARG A 35 -14.551 0.538 3.349 1.00 0.00 C ATOM 485 CD ARG A 35 -13.506 0.473 2.245 1.00 0.00 C ATOM 486 NE ARG A 35 -13.710 1.507 1.234 1.00 0.00 N ATOM 487 CZ ARG A 35 -14.719 1.504 0.370 1.00 0.00 C ATOM 488 NH1 ARG A 35 -15.630 0.541 0.412 1.00 0.00 N ATOM 489 NH2 ARG A 35 -14.821 2.469 -0.534 1.00 0.00 N ATOM 0 H ARG A 35 -11.537 1.229 4.909 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.288 2.802 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.593 0.681 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.920 1.804 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.798 -0.472 3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.467 0.980 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.513 0.583 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.540 -0.508 1.771 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.040 2.275 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.557 -0.200 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.404 0.541 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.125 3.214 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.596 2.467 -1.197 1.00 0.00 H new ATOM 503 N ALA A 36 -14.431 3.929 5.532 1.00 0.00 N ATOM 504 CA ALA A 36 -14.697 5.039 6.439 1.00 0.00 C ATOM 505 C ALA A 36 -14.596 6.376 5.711 1.00 0.00 C ATOM 506 O ALA A 36 -13.753 6.552 4.832 1.00 0.00 O ATOM 507 CB ALA A 36 -13.746 5.002 7.628 1.00 0.00 C ATOM 0 H ALA A 36 -15.261 3.405 5.255 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.716 4.933 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.961 5.839 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.877 4.065 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.718 5.075 7.274 1.00 0.00 H new ATOM 513 N TYR A 37 -15.466 7.313 6.078 1.00 0.00 N ATOM 514 CA TYR A 37 -15.475 8.632 5.453 1.00 0.00 C ATOM 515 C TYR A 37 -16.171 9.658 6.343 1.00 0.00 C ATOM 516 O TYR A 37 -17.268 10.122 6.032 1.00 0.00 O ATOM 517 CB TYR A 37 -16.171 8.566 4.092 1.00 0.00 C ATOM 518 CG TYR A 37 -16.297 7.162 3.544 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.385 6.365 3.871 1.00 0.00 C ATOM 520 CD2 TYR A 37 -15.325 6.634 2.702 1.00 0.00 C ATOM 521 CE1 TYR A 37 -17.504 5.081 3.375 1.00 0.00 C ATOM 522 CE2 TYR A 37 -15.436 5.350 2.203 1.00 0.00 C ATOM 523 CZ TYR A 37 -16.527 4.578 2.542 1.00 0.00 C ATOM 524 OH TYR A 37 -16.641 3.299 2.049 1.00 0.00 O ATOM 0 H TYR A 37 -16.172 7.184 6.803 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.441 8.946 5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.166 9.003 4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -15.616 9.177 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.152 6.755 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.470 7.237 2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.358 4.474 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.672 4.953 1.551 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.667 3.327 1.070 1.00 0.00 H new ATOM 534 N PRO A 38 -15.536 10.022 7.468 1.00 0.00 N ATOM 535 CA PRO A 38 -16.089 10.996 8.418 1.00 0.00 C ATOM 536 C PRO A 38 -16.188 12.397 7.833 1.00 0.00 C ATOM 537 O PRO A 38 -16.598 13.343 8.507 1.00 0.00 O ATOM 538 CB PRO A 38 -15.095 10.982 9.583 1.00 0.00 C ATOM 539 CG PRO A 38 -14.267 9.755 9.389 1.00 0.00 C ATOM 540 CD PRO A 38 -14.235 9.508 7.909 1.00 0.00 C ATOM 0 HA PRO A 38 -17.107 10.733 8.705 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.475 11.878 9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.614 10.957 10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.261 9.897 9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.699 8.905 9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.409 10.032 7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.118 8.449 7.678 1.00 0.00 H new ATOM 548 N THR A 39 -15.811 12.514 6.578 1.00 0.00 N ATOM 549 CA THR A 39 -15.848 13.789 5.872 1.00 0.00 C ATOM 550 C THR A 39 -16.970 13.799 4.838 1.00 0.00 C ATOM 551 O THR A 39 -17.235 12.789 4.186 1.00 0.00 O ATOM 552 CB THR A 39 -14.505 14.053 5.188 1.00 0.00 C ATOM 553 OG1 THR A 39 -13.757 12.856 5.073 1.00 0.00 O ATOM 554 CG2 THR A 39 -13.645 15.061 5.922 1.00 0.00 C ATOM 0 H THR A 39 -15.470 11.735 6.015 1.00 0.00 H new ATOM 0 HA THR A 39 -16.038 14.578 6.599 1.00 0.00 H new ATOM 0 HB THR A 39 -14.756 14.459 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.903 13.045 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.708 15.201 5.383 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.173 16.012 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.434 14.696 6.927 1.00 0.00 H new ATOM 562 N PRO A 40 -17.642 14.947 4.671 1.00 0.00 N ATOM 563 CA PRO A 40 -18.736 15.096 3.715 1.00 0.00 C ATOM 564 C PRO A 40 -18.440 14.410 2.387 1.00 0.00 C ATOM 565 O PRO A 40 -17.682 14.924 1.564 1.00 0.00 O ATOM 566 CB PRO A 40 -18.853 16.618 3.523 1.00 0.00 C ATOM 567 CG PRO A 40 -17.791 17.234 4.383 1.00 0.00 C ATOM 568 CD PRO A 40 -17.393 16.194 5.392 1.00 0.00 C ATOM 0 HA PRO A 40 -19.654 14.633 4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.712 16.890 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.842 16.972 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.934 17.537 3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.166 18.130 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.348 16.292 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.988 16.263 6.303 1.00 0.00 H new ATOM 576 N LEU A 41 -19.044 13.245 2.185 1.00 0.00 N ATOM 577 CA LEU A 41 -18.849 12.485 0.957 1.00 0.00 C ATOM 578 C LEU A 41 -19.722 13.039 -0.163 1.00 0.00 C ATOM 579 O LEU A 41 -20.383 14.064 0.004 1.00 0.00 O ATOM 580 CB LEU A 41 -19.172 11.008 1.193 1.00 0.00 C ATOM 581 CG LEU A 41 -20.480 10.743 1.941 1.00 0.00 C ATOM 582 CD1 LEU A 41 -21.479 10.041 1.036 1.00 0.00 C ATOM 583 CD2 LEU A 41 -20.222 9.918 3.195 1.00 0.00 C ATOM 0 H LEU A 41 -19.674 12.806 2.857 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.805 12.576 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.214 10.502 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.353 10.558 1.754 1.00 0.00 H new ATOM 0 HG LEU A 41 -20.904 11.701 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -22.403 9.861 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -21.688 10.668 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -21.063 9.090 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -21.164 9.740 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.775 8.964 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.542 10.459 3.853 1.00 0.00 H new ATOM 595 N ARG A 42 -19.722 12.357 -1.304 1.00 0.00 N ATOM 596 CA ARG A 42 -20.517 12.788 -2.449 1.00 0.00 C ATOM 597 C ARG A 42 -20.495 11.743 -3.559 1.00 0.00 C ATOM 598 O ARG A 42 -21.537 11.217 -3.949 1.00 0.00 O ATOM 599 CB ARG A 42 -19.999 14.125 -2.983 1.00 0.00 C ATOM 600 CG ARG A 42 -21.074 15.196 -3.085 1.00 0.00 C ATOM 601 CD ARG A 42 -20.720 16.247 -4.125 1.00 0.00 C ATOM 602 NE ARG A 42 -21.648 16.239 -5.253 1.00 0.00 N ATOM 603 CZ ARG A 42 -22.962 16.403 -5.130 1.00 0.00 C ATOM 604 NH1 ARG A 42 -23.500 16.596 -3.933 1.00 0.00 N ATOM 605 NH2 ARG A 42 -23.739 16.380 -6.205 1.00 0.00 N ATOM 0 H ARG A 42 -19.182 11.506 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 42 -21.547 12.911 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -19.202 14.483 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -19.559 13.968 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -22.026 14.733 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -21.206 15.674 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -20.724 17.233 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -19.707 16.070 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 42 -21.266 16.100 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -22.906 16.619 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -24.508 16.722 -3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -23.329 16.236 -7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -24.747 16.506 -6.109 1.00 0.00 H new ATOM 619 N SER A 43 -19.302 11.447 -4.066 1.00 0.00 N ATOM 620 CA SER A 43 -19.147 10.465 -5.133 1.00 0.00 C ATOM 621 C SER A 43 -20.177 9.349 -4.993 1.00 0.00 C ATOM 622 O SER A 43 -20.541 8.965 -3.882 1.00 0.00 O ATOM 623 CB SER A 43 -17.732 9.882 -5.116 1.00 0.00 C ATOM 624 OG SER A 43 -16.784 10.837 -5.561 1.00 0.00 O ATOM 0 H SER A 43 -18.429 11.873 -3.755 1.00 0.00 H new ATOM 0 HA SER A 43 -19.310 10.967 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.480 9.558 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.691 8.999 -5.754 1.00 0.00 H new ATOM 0 HG SER A 43 -15.887 10.442 -5.540 1.00 0.00 H new ATOM 630 N LYS A 44 -20.648 8.833 -6.124 1.00 0.00 N ATOM 631 CA LYS A 44 -21.640 7.763 -6.115 1.00 0.00 C ATOM 632 C LYS A 44 -20.993 6.424 -5.777 1.00 0.00 C ATOM 633 O LYS A 44 -21.163 5.444 -6.501 1.00 0.00 O ATOM 634 CB LYS A 44 -22.356 7.665 -7.467 1.00 0.00 C ATOM 635 CG LYS A 44 -22.059 8.818 -8.413 1.00 0.00 C ATOM 636 CD LYS A 44 -22.845 8.688 -9.709 1.00 0.00 C ATOM 637 CE LYS A 44 -22.524 9.818 -10.675 1.00 0.00 C ATOM 638 NZ LYS A 44 -23.732 10.275 -11.417 1.00 0.00 N ATOM 0 H LYS A 44 -20.361 9.137 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 44 -22.375 8.004 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.071 6.730 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.431 7.619 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.307 9.762 -7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.992 8.844 -8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.617 7.731 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -23.913 8.689 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -22.098 10.656 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.767 9.485 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.471 11.046 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.125 9.482 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.445 10.617 -10.742 1.00 0.00 H new ATOM 652 N LYS A 45 -20.255 6.391 -4.671 1.00 0.00 N ATOM 653 CA LYS A 45 -19.584 5.172 -4.232 1.00 0.00 C ATOM 654 C LYS A 45 -19.172 4.319 -5.432 1.00 0.00 C ATOM 655 O LYS A 45 -18.915 4.844 -6.515 1.00 0.00 O ATOM 656 CB LYS A 45 -20.499 4.379 -3.294 1.00 0.00 C ATOM 657 CG LYS A 45 -20.690 5.038 -1.937 1.00 0.00 C ATOM 658 CD LYS A 45 -19.357 5.419 -1.311 1.00 0.00 C ATOM 659 CE LYS A 45 -18.367 4.266 -1.365 1.00 0.00 C ATOM 660 NZ LYS A 45 -18.837 3.097 -0.572 1.00 0.00 N ATOM 0 H LYS A 45 -20.107 7.196 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.680 5.448 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.472 4.253 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -20.083 3.382 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.309 5.928 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.224 4.358 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.942 6.281 -1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.513 5.718 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.216 3.965 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.401 4.598 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.106 2.357 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.022 3.394 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.712 2.722 -0.991 1.00 0.00 H new ATOM 674 N THR A 46 -19.108 3.004 -5.236 1.00 0.00 N ATOM 675 CA THR A 46 -18.726 2.094 -6.310 1.00 0.00 C ATOM 676 C THR A 46 -18.864 0.639 -5.872 1.00 0.00 C ATOM 677 O THR A 46 -18.090 -0.221 -6.290 1.00 0.00 O ATOM 678 CB THR A 46 -17.290 2.369 -6.756 1.00 0.00 C ATOM 679 OG1 THR A 46 -16.746 3.466 -6.045 1.00 0.00 O ATOM 680 CG2 THR A 46 -17.172 2.673 -8.234 1.00 0.00 C ATOM 0 H THR A 46 -19.315 2.548 -4.348 1.00 0.00 H new ATOM 0 HA THR A 46 -19.400 2.266 -7.149 1.00 0.00 H new ATOM 0 HB THR A 46 -16.740 1.452 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.826 3.626 -6.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.128 2.859 -8.485 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.538 1.824 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 46 -17.765 3.556 -8.472 1.00 0.00 H new ATOM 688 N MET A 47 -19.854 0.371 -5.028 1.00 0.00 N ATOM 689 CA MET A 47 -20.091 -0.981 -4.538 1.00 0.00 C ATOM 690 C MET A 47 -21.555 -1.172 -4.157 1.00 0.00 C ATOM 691 O MET A 47 -22.394 -0.312 -4.424 1.00 0.00 O ATOM 692 CB MET A 47 -19.195 -1.274 -3.333 1.00 0.00 C ATOM 693 CG MET A 47 -18.277 -2.468 -3.535 1.00 0.00 C ATOM 694 SD MET A 47 -16.762 -2.036 -4.410 1.00 0.00 S ATOM 695 CE MET A 47 -15.636 -1.809 -3.037 1.00 0.00 C ATOM 0 H MET A 47 -20.504 1.071 -4.670 1.00 0.00 H new ATOM 0 HA MET A 47 -19.849 -1.679 -5.339 1.00 0.00 H new ATOM 0 HB2 MET A 47 -18.590 -0.393 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 47 -19.822 -1.452 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 47 -18.023 -2.895 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 47 -18.807 -3.239 -4.093 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.651 -1.537 -3.416 1.00 0.00 H new ATOM 0 HE2 MET A 47 -16.008 -1.015 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 47 -15.563 -2.737 -2.469 1.00 0.00 H new ATOM 705 N LEU A 48 -21.854 -2.305 -3.532 1.00 0.00 N ATOM 706 CA LEU A 48 -23.216 -2.609 -3.113 1.00 0.00 C ATOM 707 C LEU A 48 -23.272 -2.901 -1.619 1.00 0.00 C ATOM 708 O LEU A 48 -22.261 -3.241 -1.005 1.00 0.00 O ATOM 709 CB LEU A 48 -23.764 -3.807 -3.891 1.00 0.00 C ATOM 710 CG LEU A 48 -22.752 -4.516 -4.792 1.00 0.00 C ATOM 711 CD1 LEU A 48 -23.069 -6.001 -4.878 1.00 0.00 C ATOM 712 CD2 LEU A 48 -22.745 -3.892 -6.179 1.00 0.00 C ATOM 0 H LEU A 48 -21.171 -3.028 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 48 -23.832 -1.735 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -24.162 -4.530 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -24.599 -3.470 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 48 -21.759 -4.398 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -22.340 -6.492 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -23.026 -6.441 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -24.068 -6.136 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -22.019 -4.409 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -23.737 -3.980 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.474 -2.839 -6.103 1.00 0.00 H new ATOM 724 N VAL A 49 -24.463 -2.773 -1.044 1.00 0.00 N ATOM 725 CA VAL A 49 -24.660 -3.029 0.377 1.00 0.00 C ATOM 726 C VAL A 49 -23.533 -2.427 1.209 1.00 0.00 C ATOM 727 O VAL A 49 -22.664 -1.731 0.685 1.00 0.00 O ATOM 728 CB VAL A 49 -24.754 -4.539 0.664 1.00 0.00 C ATOM 729 CG1 VAL A 49 -25.961 -5.138 -0.039 1.00 0.00 C ATOM 730 CG2 VAL A 49 -23.476 -5.249 0.239 1.00 0.00 C ATOM 0 H VAL A 49 -25.308 -2.493 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 49 -25.600 -2.555 0.658 1.00 0.00 H new ATOM 0 HB VAL A 49 -24.877 -4.678 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.013 -6.206 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -26.869 -4.652 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -25.868 -4.987 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.564 -6.315 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -23.317 -5.103 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -22.631 -4.838 0.791 1.00 0.00 H new ATOM 740 N GLN A 50 -23.559 -2.698 2.510 1.00 0.00 N ATOM 741 CA GLN A 50 -22.544 -2.182 3.421 1.00 0.00 C ATOM 742 C GLN A 50 -22.679 -2.825 4.797 1.00 0.00 C ATOM 743 O GLN A 50 -23.302 -2.264 5.697 1.00 0.00 O ATOM 744 CB GLN A 50 -22.660 -0.661 3.540 1.00 0.00 C ATOM 745 CG GLN A 50 -21.372 0.074 3.205 1.00 0.00 C ATOM 746 CD GLN A 50 -20.320 -0.074 4.286 1.00 0.00 C ATOM 747 OE1 GLN A 50 -19.705 -1.130 4.429 1.00 0.00 O ATOM 748 NE2 GLN A 50 -20.107 0.988 5.054 1.00 0.00 N ATOM 0 H GLN A 50 -24.273 -3.273 2.957 1.00 0.00 H new ATOM 0 HA GLN A 50 -21.563 -2.431 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -23.451 -0.312 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -22.961 -0.406 4.556 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.976 -0.305 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -21.589 1.132 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -20.640 1.844 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.410 0.948 5.798 1.00 0.00 H new ATOM 757 N LYS A 51 -22.095 -4.008 4.949 1.00 0.00 N ATOM 758 CA LYS A 51 -22.156 -4.730 6.214 1.00 0.00 C ATOM 759 C LYS A 51 -20.952 -5.651 6.378 1.00 0.00 C ATOM 760 O LYS A 51 -21.103 -6.839 6.662 1.00 0.00 O ATOM 761 CB LYS A 51 -23.447 -5.546 6.288 1.00 0.00 C ATOM 762 CG LYS A 51 -23.445 -6.768 5.384 1.00 0.00 C ATOM 763 CD LYS A 51 -24.439 -6.618 4.244 1.00 0.00 C ATOM 764 CE LYS A 51 -25.233 -7.895 4.027 1.00 0.00 C ATOM 765 NZ LYS A 51 -26.677 -7.709 4.336 1.00 0.00 N ATOM 0 H LYS A 51 -21.575 -4.487 4.214 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.141 -4.000 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -23.607 -5.866 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -24.288 -4.906 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.445 -6.920 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.691 -7.655 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -25.121 -5.796 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.908 -6.358 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.122 -8.220 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.826 -8.687 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.184 -8.603 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.785 -7.423 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -27.072 -6.971 3.719 1.00 0.00 H new ATOM 779 N ASN A 52 -19.757 -5.097 6.201 1.00 0.00 N ATOM 780 CA ASN A 52 -18.531 -5.874 6.333 1.00 0.00 C ATOM 781 C ASN A 52 -17.351 -4.981 6.700 1.00 0.00 C ATOM 782 O ASN A 52 -17.084 -3.982 6.032 1.00 0.00 O ATOM 783 CB ASN A 52 -18.232 -6.622 5.033 1.00 0.00 C ATOM 784 CG ASN A 52 -17.978 -8.099 5.261 1.00 0.00 C ATOM 785 OD1 ASN A 52 -17.964 -8.565 6.401 1.00 0.00 O ATOM 786 ND2 ASN A 52 -17.778 -8.838 4.173 1.00 0.00 N ATOM 0 H ASN A 52 -19.612 -4.115 5.966 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.678 -6.596 7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.071 -6.502 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.361 -6.176 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.800 -8.404 3.250 1.00 0.00 H new ATOM 791 N VAL A 53 -16.646 -5.351 7.764 1.00 0.00 N ATOM 792 CA VAL A 53 -15.490 -4.590 8.220 1.00 0.00 C ATOM 793 C VAL A 53 -15.819 -3.108 8.368 1.00 0.00 C ATOM 794 O VAL A 53 -16.869 -2.645 7.924 1.00 0.00 O ATOM 795 CB VAL A 53 -14.302 -4.742 7.251 1.00 0.00 C ATOM 796 CG1 VAL A 53 -12.999 -4.890 8.021 1.00 0.00 C ATOM 797 CG2 VAL A 53 -14.519 -5.927 6.322 1.00 0.00 C ATOM 0 H VAL A 53 -16.856 -6.175 8.327 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.216 -4.994 9.194 1.00 0.00 H new ATOM 0 HB VAL A 53 -14.236 -3.840 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.172 -4.996 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.839 -4.007 8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.051 -5.774 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.670 -6.019 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.613 -6.839 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.430 -5.774 5.743 1.00 0.00 H new ATOM 807 N THR A 54 -14.908 -2.371 8.995 1.00 0.00 N ATOM 808 CA THR A 54 -15.088 -0.939 9.205 1.00 0.00 C ATOM 809 C THR A 54 -13.738 -0.243 9.351 1.00 0.00 C ATOM 810 O THR A 54 -13.182 -0.168 10.446 1.00 0.00 O ATOM 811 CB THR A 54 -15.946 -0.684 10.446 1.00 0.00 C ATOM 812 OG1 THR A 54 -17.318 -0.889 10.158 1.00 0.00 O ATOM 813 CG2 THR A 54 -15.798 0.717 11.001 1.00 0.00 C ATOM 0 H THR A 54 -14.035 -2.743 9.368 1.00 0.00 H new ATOM 0 HA THR A 54 -15.599 -0.529 8.334 1.00 0.00 H new ATOM 0 HB THR A 54 -15.588 -1.392 11.193 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.404 -1.463 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.433 0.829 11.879 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.759 0.890 11.280 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.095 1.442 10.243 1.00 0.00 H new ATOM 821 N SER A 55 -13.217 0.263 8.238 1.00 0.00 N ATOM 822 CA SER A 55 -11.932 0.952 8.241 1.00 0.00 C ATOM 823 C SER A 55 -10.924 0.216 9.117 1.00 0.00 C ATOM 824 O SER A 55 -10.690 0.598 10.264 1.00 0.00 O ATOM 825 CB SER A 55 -12.104 2.389 8.735 1.00 0.00 C ATOM 826 OG SER A 55 -11.228 3.272 8.056 1.00 0.00 O ATOM 0 H SER A 55 -13.665 0.209 7.323 1.00 0.00 H new ATOM 0 HA SER A 55 -11.552 0.970 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.135 2.708 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.911 2.434 9.807 1.00 0.00 H new ATOM 0 HG SER A 55 -11.119 4.092 8.581 1.00 0.00 H new ATOM 832 N GLU A 56 -10.330 -0.842 8.572 1.00 0.00 N ATOM 833 CA GLU A 56 -9.346 -1.628 9.309 1.00 0.00 C ATOM 834 C GLU A 56 -8.942 -2.878 8.534 1.00 0.00 C ATOM 835 O GLU A 56 -9.517 -3.191 7.492 1.00 0.00 O ATOM 836 CB GLU A 56 -9.906 -2.028 10.675 1.00 0.00 C ATOM 837 CG GLU A 56 -11.240 -2.750 10.595 1.00 0.00 C ATOM 838 CD GLU A 56 -11.344 -3.897 11.582 1.00 0.00 C ATOM 839 OE1 GLU A 56 -10.798 -3.772 12.698 1.00 0.00 O ATOM 840 OE2 GLU A 56 -11.972 -4.921 11.238 1.00 0.00 O ATOM 0 H GLU A 56 -10.512 -1.174 7.625 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.460 -1.008 9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.184 -2.669 11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.022 -1.134 11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.045 -2.040 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.382 -3.132 9.584 1.00 0.00 H new ATOM 847 N SER A 57 -7.950 -3.592 9.058 1.00 0.00 N ATOM 848 CA SER A 57 -7.465 -4.814 8.426 1.00 0.00 C ATOM 849 C SER A 57 -6.650 -4.502 7.175 1.00 0.00 C ATOM 850 O SER A 57 -6.336 -3.344 6.897 1.00 0.00 O ATOM 851 CB SER A 57 -8.638 -5.730 8.071 1.00 0.00 C ATOM 852 OG SER A 57 -8.591 -6.933 8.819 1.00 0.00 O ATOM 0 H SER A 57 -7.466 -3.344 9.921 1.00 0.00 H new ATOM 0 HA SER A 57 -6.816 -5.324 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.578 -5.214 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.615 -5.959 7.006 1.00 0.00 H new ATOM 0 HG SER A 57 -9.352 -7.500 8.575 1.00 0.00 H new ATOM 858 N THR A 58 -6.308 -5.547 6.427 1.00 0.00 N ATOM 859 CA THR A 58 -5.526 -5.394 5.206 1.00 0.00 C ATOM 860 C THR A 58 -4.187 -4.726 5.497 1.00 0.00 C ATOM 861 O THR A 58 -4.082 -3.886 6.391 1.00 0.00 O ATOM 862 CB THR A 58 -6.302 -4.576 4.173 1.00 0.00 C ATOM 863 OG1 THR A 58 -7.290 -3.778 4.802 1.00 0.00 O ATOM 864 CG2 THR A 58 -6.996 -5.429 3.133 1.00 0.00 C ATOM 0 H THR A 58 -6.561 -6.510 6.646 1.00 0.00 H new ATOM 0 HA THR A 58 -5.337 -6.388 4.802 1.00 0.00 H new ATOM 0 HB THR A 58 -5.555 -3.959 3.675 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.858 -3.141 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.528 -4.786 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.256 -6.020 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.705 -6.096 3.624 1.00 0.00 H new ATOM 872 N CYS A 59 -3.166 -5.104 4.736 1.00 0.00 N ATOM 873 CA CYS A 59 -1.834 -4.540 4.912 1.00 0.00 C ATOM 874 C CYS A 59 -0.928 -4.906 3.743 1.00 0.00 C ATOM 875 O CYS A 59 -0.709 -6.082 3.457 1.00 0.00 O ATOM 876 CB CYS A 59 -1.216 -5.027 6.223 1.00 0.00 C ATOM 877 SG CYS A 59 -1.592 -3.974 7.662 1.00 0.00 S ATOM 0 H CYS A 59 -3.236 -5.798 3.992 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.931 -3.455 4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.569 -6.038 6.425 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.134 -5.085 6.102 1.00 0.00 H new ATOM 882 N CYS A 60 -0.404 -3.887 3.073 1.00 0.00 N ATOM 883 CA CYS A 60 0.479 -4.096 1.935 1.00 0.00 C ATOM 884 C CYS A 60 1.738 -4.849 2.351 1.00 0.00 C ATOM 885 O CYS A 60 2.428 -4.457 3.291 1.00 0.00 O ATOM 886 CB CYS A 60 0.864 -2.754 1.310 1.00 0.00 C ATOM 887 SG CYS A 60 -0.506 -1.556 1.211 1.00 0.00 S ATOM 0 H CYS A 60 -0.576 -2.907 3.299 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.057 -4.696 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.675 -2.315 1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.251 -2.931 0.306 1.00 0.00 H new ATOM 892 N VAL A 61 2.031 -5.930 1.638 1.00 0.00 N ATOM 893 CA VAL A 61 3.208 -6.741 1.920 1.00 0.00 C ATOM 894 C VAL A 61 3.716 -7.403 0.646 1.00 0.00 C ATOM 895 O VAL A 61 3.385 -8.554 0.365 1.00 0.00 O ATOM 896 CB VAL A 61 2.909 -7.827 2.970 1.00 0.00 C ATOM 897 CG1 VAL A 61 1.748 -8.703 2.524 1.00 0.00 C ATOM 898 CG2 VAL A 61 4.149 -8.666 3.234 1.00 0.00 C ATOM 0 H VAL A 61 1.467 -6.266 0.857 1.00 0.00 H new ATOM 0 HA VAL A 61 3.973 -6.074 2.318 1.00 0.00 H new ATOM 0 HB VAL A 61 2.623 -7.337 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.554 -9.463 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.858 -8.088 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.999 -9.187 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.921 -9.429 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.467 -9.146 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.949 -8.026 3.605 1.00 0.00 H new ATOM 908 N ALA A 62 4.508 -6.659 -0.125 1.00 0.00 N ATOM 909 CA ALA A 62 5.055 -7.158 -1.385 1.00 0.00 C ATOM 910 C ALA A 62 4.874 -8.663 -1.525 1.00 0.00 C ATOM 911 O ALA A 62 5.546 -9.447 -0.855 1.00 0.00 O ATOM 912 CB ALA A 62 6.526 -6.801 -1.520 1.00 0.00 C ATOM 0 H ALA A 62 4.786 -5.704 0.103 1.00 0.00 H new ATOM 0 HA ALA A 62 4.497 -6.673 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.908 -7.184 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.641 -5.717 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.085 -7.245 -0.696 1.00 0.00 H new ATOM 918 N LYS A 63 3.982 -9.057 -2.421 1.00 0.00 N ATOM 919 CA LYS A 63 3.729 -10.459 -2.680 1.00 0.00 C ATOM 920 C LYS A 63 5.022 -11.114 -3.103 1.00 0.00 C ATOM 921 O LYS A 63 5.337 -12.241 -2.718 1.00 0.00 O ATOM 922 CB LYS A 63 2.702 -10.591 -3.794 1.00 0.00 C ATOM 923 CG LYS A 63 1.922 -11.885 -3.756 1.00 0.00 C ATOM 924 CD LYS A 63 0.621 -11.751 -4.521 1.00 0.00 C ATOM 925 CE LYS A 63 0.054 -13.107 -4.909 1.00 0.00 C ATOM 926 NZ LYS A 63 -0.074 -14.016 -3.735 1.00 0.00 N ATOM 0 H LYS A 63 3.420 -8.418 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 63 3.345 -10.942 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.005 -9.756 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.210 -10.512 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.521 -12.688 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.714 -12.160 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.106 -11.214 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.787 -11.155 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.924 -12.972 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.699 -13.569 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.631 -14.853 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.872 -14.315 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.553 -13.516 -2.959 1.00 0.00 H new ATOM 940 N SER A 64 5.771 -10.368 -3.894 1.00 0.00 N ATOM 941 CA SER A 64 7.054 -10.817 -4.388 1.00 0.00 C ATOM 942 C SER A 64 8.037 -9.655 -4.396 1.00 0.00 C ATOM 943 O SER A 64 7.718 -8.561 -4.862 1.00 0.00 O ATOM 944 CB SER A 64 6.919 -11.406 -5.792 1.00 0.00 C ATOM 945 OG SER A 64 7.185 -12.798 -5.790 1.00 0.00 O ATOM 0 H SER A 64 5.505 -9.435 -4.210 1.00 0.00 H new ATOM 0 HA SER A 64 7.428 -11.599 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.913 -11.226 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.609 -10.902 -6.469 1.00 0.00 H new ATOM 0 HG SER A 64 7.090 -13.150 -6.699 1.00 0.00 H new ATOM 951 N TYR A 65 9.223 -9.891 -3.860 1.00 0.00 N ATOM 952 CA TYR A 65 10.242 -8.855 -3.786 1.00 0.00 C ATOM 953 C TYR A 65 11.437 -9.184 -4.657 1.00 0.00 C ATOM 954 O TYR A 65 11.680 -10.342 -4.995 1.00 0.00 O ATOM 955 CB TYR A 65 10.722 -8.710 -2.346 1.00 0.00 C ATOM 956 CG TYR A 65 11.036 -10.034 -1.686 1.00 0.00 C ATOM 957 CD1 TYR A 65 12.160 -10.763 -2.051 1.00 0.00 C ATOM 958 CD2 TYR A 65 10.207 -10.555 -0.701 1.00 0.00 C ATOM 959 CE1 TYR A 65 12.450 -11.974 -1.453 1.00 0.00 C ATOM 960 CE2 TYR A 65 10.490 -11.765 -0.096 1.00 0.00 C ATOM 961 CZ TYR A 65 11.613 -12.470 -0.477 1.00 0.00 C ATOM 962 OH TYR A 65 11.900 -13.677 0.119 1.00 0.00 O ATOM 0 H TYR A 65 9.505 -10.790 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 65 9.793 -7.927 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 65 11.613 -8.082 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.957 -8.194 -1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 65 12.818 -10.377 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.326 -10.005 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 65 13.328 -12.529 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.836 -12.156 0.670 1.00 0.00 H new ATOM 0 HH TYR A 65 11.213 -13.884 0.786 1.00 0.00 H new ATOM 972 N ASN A 66 12.216 -8.160 -4.965 1.00 0.00 N ATOM 973 CA ASN A 66 13.430 -8.346 -5.738 1.00 0.00 C ATOM 974 C ASN A 66 14.546 -7.659 -5.002 1.00 0.00 C ATOM 975 O ASN A 66 15.542 -7.213 -5.572 1.00 0.00 O ATOM 976 CB ASN A 66 13.292 -7.804 -7.153 1.00 0.00 C ATOM 977 CG ASN A 66 13.516 -8.866 -8.210 1.00 0.00 C ATOM 978 OD1 ASN A 66 12.650 -9.118 -9.048 1.00 0.00 O ATOM 979 ND2 ASN A 66 14.687 -9.492 -8.178 1.00 0.00 N ATOM 0 H ASN A 66 12.029 -7.195 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 66 13.639 -9.411 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.297 -7.376 -7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.008 -6.995 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.898 -10.214 -8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.375 -9.250 -7.465 1.00 0.00 H new ATOM 986 N ARG A 67 14.320 -7.593 -3.709 1.00 0.00 N ATOM 987 CA ARG A 67 15.230 -6.977 -2.763 1.00 0.00 C ATOM 988 C ARG A 67 16.575 -6.676 -3.403 1.00 0.00 C ATOM 989 O ARG A 67 17.264 -7.570 -3.895 1.00 0.00 O ATOM 990 CB ARG A 67 15.409 -7.897 -1.564 1.00 0.00 C ATOM 991 CG ARG A 67 15.179 -7.229 -0.219 1.00 0.00 C ATOM 992 CD ARG A 67 15.757 -8.063 0.913 1.00 0.00 C ATOM 993 NE ARG A 67 15.058 -9.339 1.058 1.00 0.00 N ATOM 994 CZ ARG A 67 15.663 -10.525 1.085 1.00 0.00 C ATOM 995 NH1 ARG A 67 16.985 -10.611 1.006 1.00 0.00 N ATOM 996 NH2 ARG A 67 14.940 -11.630 1.197 1.00 0.00 N ATOM 0 H ARG A 67 13.480 -7.974 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 67 14.802 -6.029 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.721 -8.737 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.419 -8.307 -1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.638 -6.240 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.110 -7.085 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.815 -8.247 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.691 -7.504 1.847 1.00 0.00 H new ATOM 0 HE ARG A 67 14.042 -9.319 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.547 -9.764 0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.439 -11.524 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.924 -11.570 1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.400 -12.540 1.218 1.00 0.00 H new ATOM 1010 N VAL A 68 16.940 -5.410 -3.377 1.00 0.00 N ATOM 1011 CA VAL A 68 18.208 -4.963 -3.938 1.00 0.00 C ATOM 1012 C VAL A 68 19.040 -4.298 -2.865 1.00 0.00 C ATOM 1013 O VAL A 68 19.664 -3.263 -3.091 1.00 0.00 O ATOM 1014 CB VAL A 68 18.018 -3.984 -5.122 1.00 0.00 C ATOM 1015 CG1 VAL A 68 16.992 -4.515 -6.112 1.00 0.00 C ATOM 1016 CG2 VAL A 68 17.619 -2.592 -4.636 1.00 0.00 C ATOM 0 H VAL A 68 16.375 -4.664 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 68 18.719 -5.847 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 68 18.978 -3.901 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.879 -3.807 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.328 -5.475 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.034 -4.644 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.494 -1.930 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.681 -2.654 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.398 -2.198 -3.983 1.00 0.00 H new ATOM 1026 N THR A 69 19.027 -4.908 -1.690 1.00 0.00 N ATOM 1027 CA THR A 69 19.757 -4.393 -0.541 1.00 0.00 C ATOM 1028 C THR A 69 20.775 -3.343 -0.952 1.00 0.00 C ATOM 1029 O THR A 69 21.715 -3.622 -1.698 1.00 0.00 O ATOM 1030 CB THR A 69 20.459 -5.511 0.217 1.00 0.00 C ATOM 1031 OG1 THR A 69 19.518 -6.440 0.730 1.00 0.00 O ATOM 1032 CG2 THR A 69 21.286 -4.989 1.373 1.00 0.00 C ATOM 0 H THR A 69 18.513 -5.770 -1.506 1.00 0.00 H new ATOM 0 HA THR A 69 19.021 -3.929 0.116 1.00 0.00 H new ATOM 0 HB THR A 69 21.121 -5.996 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 69 19.990 -7.151 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 69 21.767 -5.824 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 69 22.048 -4.306 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 69 20.639 -4.460 2.073 1.00 0.00 H new ATOM 1040 N VAL A 70 20.578 -2.134 -0.457 1.00 0.00 N ATOM 1041 CA VAL A 70 21.471 -1.028 -0.763 1.00 0.00 C ATOM 1042 C VAL A 70 21.948 -0.342 0.497 1.00 0.00 C ATOM 1043 O VAL A 70 21.778 -0.846 1.608 1.00 0.00 O ATOM 1044 CB VAL A 70 20.795 0.024 -1.656 1.00 0.00 C ATOM 1045 CG1 VAL A 70 21.793 0.606 -2.644 1.00 0.00 C ATOM 1046 CG2 VAL A 70 19.607 -0.574 -2.385 1.00 0.00 C ATOM 0 H VAL A 70 19.804 -1.891 0.162 1.00 0.00 H new ATOM 0 HA VAL A 70 22.319 -1.461 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 70 20.432 0.831 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 70 21.296 1.349 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 70 22.611 1.078 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 22.188 -0.191 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 70 19.143 0.188 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 70 19.942 -1.402 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 70 18.880 -0.938 -1.659 1.00 0.00 H new ATOM 1056 N MET A 71 22.549 0.815 0.304 1.00 0.00 N ATOM 1057 CA MET A 71 23.067 1.599 1.406 1.00 0.00 C ATOM 1058 C MET A 71 23.860 0.715 2.358 1.00 0.00 C ATOM 1059 O MET A 71 24.639 -0.135 1.927 1.00 0.00 O ATOM 1060 CB MET A 71 21.926 2.285 2.153 1.00 0.00 C ATOM 1061 CG MET A 71 20.674 2.454 1.319 1.00 0.00 C ATOM 1062 SD MET A 71 21.005 3.193 -0.293 1.00 0.00 S ATOM 1063 CE MET A 71 21.888 4.677 0.185 1.00 0.00 C ATOM 0 H MET A 71 22.691 1.235 -0.614 1.00 0.00 H new ATOM 0 HA MET A 71 23.731 2.364 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 71 21.684 1.705 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 71 22.262 3.265 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.202 1.481 1.178 1.00 0.00 H new ATOM 0 HG3 MET A 71 19.963 3.078 1.861 1.00 0.00 H new ATOM 0 HE1 MET A 71 21.866 5.394 -0.636 1.00 0.00 H new ATOM 0 HE2 MET A 71 21.414 5.116 1.063 1.00 0.00 H new ATOM 0 HE3 MET A 71 22.922 4.425 0.419 1.00 0.00 H new ATOM 1073 N GLY A 72 23.650 0.911 3.653 1.00 0.00 N ATOM 1074 CA GLY A 72 24.345 0.117 4.640 1.00 0.00 C ATOM 1075 C GLY A 72 23.702 -1.242 4.850 1.00 0.00 C ATOM 1076 O GLY A 72 23.982 -1.921 5.838 1.00 0.00 O ATOM 0 H GLY A 72 23.010 1.607 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 72 25.381 -0.019 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.365 0.656 5.587 1.00 0.00 H new ATOM 1080 N GLY A 73 22.836 -1.639 3.920 1.00 0.00 N ATOM 1081 CA GLY A 73 22.165 -2.919 4.029 1.00 0.00 C ATOM 1082 C GLY A 73 20.656 -2.789 3.924 1.00 0.00 C ATOM 1083 O GLY A 73 19.919 -3.653 4.400 1.00 0.00 O ATOM 0 H GLY A 73 22.589 -1.095 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.526 -3.584 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.422 -3.382 4.982 1.00 0.00 H new ATOM 1087 N PHE A 74 20.195 -1.708 3.297 1.00 0.00 N ATOM 1088 CA PHE A 74 18.765 -1.473 3.130 1.00 0.00 C ATOM 1089 C PHE A 74 18.124 -2.634 2.386 1.00 0.00 C ATOM 1090 O PHE A 74 18.807 -3.585 2.012 1.00 0.00 O ATOM 1091 CB PHE A 74 18.521 -0.166 2.372 1.00 0.00 C ATOM 1092 CG PHE A 74 18.791 1.066 3.191 1.00 0.00 C ATOM 1093 CD1 PHE A 74 19.741 1.050 4.199 1.00 0.00 C ATOM 1094 CD2 PHE A 74 18.094 2.240 2.951 1.00 0.00 C ATOM 1095 CE1 PHE A 74 19.991 2.180 4.953 1.00 0.00 C ATOM 1096 CE2 PHE A 74 18.340 3.374 3.702 1.00 0.00 C ATOM 1097 CZ PHE A 74 19.290 3.344 4.705 1.00 0.00 C ATOM 0 H PHE A 74 20.791 -0.983 2.897 1.00 0.00 H new ATOM 0 HA PHE A 74 18.312 -1.393 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 74 19.153 -0.147 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 74 17.487 -0.143 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 74 20.293 0.143 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 74 17.350 2.269 2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 74 20.734 2.153 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 74 17.790 4.283 3.505 1.00 0.00 H new ATOM 0 HZ PHE A 74 19.484 4.229 5.294 1.00 0.00 H new ATOM 1107 N LYS A 75 16.814 -2.558 2.172 1.00 0.00 N ATOM 1108 CA LYS A 75 16.104 -3.619 1.468 1.00 0.00 C ATOM 1109 C LYS A 75 14.725 -3.161 0.992 1.00 0.00 C ATOM 1110 O LYS A 75 13.798 -3.011 1.789 1.00 0.00 O ATOM 1111 CB LYS A 75 15.955 -4.845 2.368 1.00 0.00 C ATOM 1112 CG LYS A 75 17.236 -5.236 3.085 1.00 0.00 C ATOM 1113 CD LYS A 75 17.045 -6.496 3.909 1.00 0.00 C ATOM 1114 CE LYS A 75 18.067 -6.592 5.031 1.00 0.00 C ATOM 1115 NZ LYS A 75 17.608 -7.492 6.127 1.00 0.00 N ATOM 0 H LYS A 75 16.227 -1.780 2.473 1.00 0.00 H new ATOM 0 HA LYS A 75 16.695 -3.879 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.180 -4.649 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.615 -5.687 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 75 18.030 -5.393 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 17.556 -4.420 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.040 -6.507 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.130 -7.370 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.012 -6.960 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.258 -5.597 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.333 -7.530 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.720 -7.127 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.450 -8.448 5.748 1.00 0.00 H new ATOM 1129 N VAL A 76 14.598 -2.965 -0.315 1.00 0.00 N ATOM 1130 CA VAL A 76 13.333 -2.551 -0.923 1.00 0.00 C ATOM 1131 C VAL A 76 12.611 -3.749 -1.436 1.00 0.00 C ATOM 1132 O VAL A 76 11.686 -3.637 -2.241 1.00 0.00 O ATOM 1133 CB VAL A 76 13.579 -1.612 -2.122 1.00 0.00 C ATOM 1134 CG1 VAL A 76 14.046 -0.250 -1.623 1.00 0.00 C ATOM 1135 CG2 VAL A 76 14.636 -2.275 -2.998 1.00 0.00 C ATOM 0 H VAL A 76 15.361 -3.087 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 76 12.750 -2.034 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 76 12.667 -1.450 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.218 0.410 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.282 0.183 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.972 -0.367 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.842 -1.643 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.551 -2.412 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.272 -3.245 -3.337 1.00 0.00 H new ATOM 1145 N GLU A 77 13.072 -4.895 -0.993 1.00 0.00 N ATOM 1146 CA GLU A 77 12.503 -6.150 -1.454 1.00 0.00 C ATOM 1147 C GLU A 77 12.023 -5.890 -2.858 1.00 0.00 C ATOM 1148 O GLU A 77 10.945 -6.317 -3.261 1.00 0.00 O ATOM 1149 CB GLU A 77 11.343 -6.575 -0.552 1.00 0.00 C ATOM 1150 CG GLU A 77 11.530 -7.933 0.094 1.00 0.00 C ATOM 1151 CD GLU A 77 12.026 -7.840 1.523 1.00 0.00 C ATOM 1152 OE1 GLU A 77 12.521 -6.761 1.911 1.00 0.00 O ATOM 1153 OE2 GLU A 77 11.918 -8.846 2.255 1.00 0.00 O ATOM 0 H GLU A 77 13.832 -4.990 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 77 13.234 -6.958 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.211 -5.827 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.425 -6.587 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.583 -8.472 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.239 -8.516 -0.495 1.00 0.00 H new ATOM 1160 N ASN A 78 12.838 -5.094 -3.554 1.00 0.00 N ATOM 1161 CA ASN A 78 12.530 -4.620 -4.884 1.00 0.00 C ATOM 1162 C ASN A 78 11.213 -5.211 -5.315 1.00 0.00 C ATOM 1163 O ASN A 78 11.132 -6.075 -6.188 1.00 0.00 O ATOM 1164 CB ASN A 78 13.624 -4.895 -5.897 1.00 0.00 C ATOM 1165 CG ASN A 78 13.338 -4.098 -7.142 1.00 0.00 C ATOM 1166 OD1 ASN A 78 13.194 -2.878 -7.085 1.00 0.00 O ATOM 1167 ND2 ASN A 78 13.247 -4.771 -8.267 1.00 0.00 N ATOM 0 H ASN A 78 13.735 -4.764 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 78 12.457 -3.533 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.596 -4.621 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.665 -5.959 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.374 -5.783 -8.268 1.00 0.00 H new ATOM 1172 N HIS A 79 10.194 -4.757 -4.620 1.00 0.00 N ATOM 1173 CA HIS A 79 8.842 -5.225 -4.804 1.00 0.00 C ATOM 1174 C HIS A 79 8.476 -5.489 -6.241 1.00 0.00 C ATOM 1175 O HIS A 79 8.469 -4.607 -7.093 1.00 0.00 O ATOM 1176 CB HIS A 79 7.865 -4.251 -4.173 1.00 0.00 C ATOM 1177 CG HIS A 79 8.098 -4.151 -2.718 1.00 0.00 C ATOM 1178 ND1 HIS A 79 7.389 -3.353 -1.865 1.00 0.00 N ATOM 1179 CD2 HIS A 79 9.034 -4.772 -1.979 1.00 0.00 C ATOM 1180 CE1 HIS A 79 7.916 -3.500 -0.640 1.00 0.00 C ATOM 1181 NE2 HIS A 79 8.920 -4.359 -0.655 1.00 0.00 N ATOM 0 H HIS A 79 10.285 -4.041 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 79 8.781 -6.191 -4.303 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.974 -3.269 -4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.843 -4.579 -4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.759 -5.479 -2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.566 -2.984 0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.491 -4.656 0.136 1.00 0.00 H new ATOM 1189 N THR A 80 8.129 -6.726 -6.474 1.00 0.00 N ATOM 1190 CA THR A 80 7.698 -7.167 -7.784 1.00 0.00 C ATOM 1191 C THR A 80 6.212 -7.469 -7.730 1.00 0.00 C ATOM 1192 O THR A 80 5.546 -7.600 -8.756 1.00 0.00 O ATOM 1193 CB THR A 80 8.495 -8.387 -8.212 1.00 0.00 C ATOM 1194 OG1 THR A 80 7.805 -9.580 -7.893 1.00 0.00 O ATOM 1195 CG2 THR A 80 9.847 -8.434 -7.548 1.00 0.00 C ATOM 0 H THR A 80 8.135 -7.460 -5.766 1.00 0.00 H new ATOM 0 HA THR A 80 7.874 -6.385 -8.522 1.00 0.00 H new ATOM 0 HB THR A 80 8.626 -8.306 -9.291 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.322 -10.351 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.385 -9.322 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.415 -7.543 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.720 -8.471 -6.466 1.00 0.00 H new ATOM 1203 N ALA A 81 5.702 -7.555 -6.503 1.00 0.00 N ATOM 1204 CA ALA A 81 4.290 -7.815 -6.272 1.00 0.00 C ATOM 1205 C ALA A 81 3.897 -7.360 -4.872 1.00 0.00 C ATOM 1206 O ALA A 81 4.686 -7.476 -3.938 1.00 0.00 O ATOM 1207 CB ALA A 81 3.984 -9.293 -6.464 1.00 0.00 C ATOM 0 H ALA A 81 6.253 -7.447 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 81 3.704 -7.250 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.923 -9.471 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.237 -9.588 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.573 -9.881 -5.760 1.00 0.00 H new ATOM 1213 N CYS A 82 2.680 -6.841 -4.732 1.00 0.00 N ATOM 1214 CA CYS A 82 2.189 -6.370 -3.437 1.00 0.00 C ATOM 1215 C CYS A 82 0.746 -6.821 -3.220 1.00 0.00 C ATOM 1216 O CYS A 82 -0.096 -6.677 -4.105 1.00 0.00 O ATOM 1217 CB CYS A 82 2.287 -4.843 -3.347 1.00 0.00 C ATOM 1218 SG CYS A 82 3.784 -4.240 -2.491 1.00 0.00 S ATOM 0 H CYS A 82 2.015 -6.735 -5.498 1.00 0.00 H new ATOM 0 HA CYS A 82 2.812 -6.803 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.266 -4.428 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.407 -4.463 -2.828 1.00 0.00 H new ATOM 1223 N HIS A 83 0.467 -7.377 -2.043 1.00 0.00 N ATOM 1224 CA HIS A 83 -0.877 -7.854 -1.729 1.00 0.00 C ATOM 1225 C HIS A 83 -1.254 -7.555 -0.278 1.00 0.00 C ATOM 1226 O HIS A 83 -0.614 -8.046 0.652 1.00 0.00 O ATOM 1227 CB HIS A 83 -0.978 -9.359 -1.995 1.00 0.00 C ATOM 1228 CG HIS A 83 -0.047 -10.182 -1.160 1.00 0.00 C ATOM 1229 ND1 HIS A 83 1.054 -9.834 -0.451 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -0.197 -11.543 -0.985 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 1.541 -10.977 0.131 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 0.770 -11.994 -0.205 1.00 0.00 N flip ATOM 0 H HIS A 83 1.149 -7.508 -1.296 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.577 -7.324 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.002 -9.684 -1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.770 -9.548 -3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.982 -12.145 -1.418 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.415 -11.035 0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.898 -12.963 0.087 1.00 0.00 H new ATOM 1241 N CYS A 84 -2.303 -6.754 -0.093 1.00 0.00 N ATOM 1242 CA CYS A 84 -2.771 -6.399 1.246 1.00 0.00 C ATOM 1243 C CYS A 84 -3.236 -7.644 1.999 1.00 0.00 C ATOM 1244 O CYS A 84 -4.055 -8.413 1.495 1.00 0.00 O ATOM 1245 CB CYS A 84 -3.917 -5.385 1.164 1.00 0.00 C ATOM 1246 SG CYS A 84 -3.487 -3.832 0.310 1.00 0.00 S ATOM 0 H CYS A 84 -2.844 -6.339 -0.852 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.939 -5.949 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.759 -5.847 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.251 -5.150 2.175 1.00 0.00 H new ATOM 1251 N SER A 85 -2.706 -7.840 3.202 1.00 0.00 N ATOM 1252 CA SER A 85 -3.067 -8.997 4.016 1.00 0.00 C ATOM 1253 C SER A 85 -3.346 -8.591 5.460 1.00 0.00 C ATOM 1254 O SER A 85 -2.728 -7.666 5.984 1.00 0.00 O ATOM 1255 CB SER A 85 -1.947 -10.038 3.979 1.00 0.00 C ATOM 1256 OG SER A 85 -1.932 -10.813 5.164 1.00 0.00 O ATOM 0 H SER A 85 -2.026 -7.215 3.635 1.00 0.00 H new ATOM 0 HA SER A 85 -3.977 -9.429 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.081 -10.690 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.986 -9.539 3.855 1.00 0.00 H new ATOM 0 HG SER A 85 -1.208 -11.472 5.115 1.00 0.00 H new ATOM 1262 N THR A 86 -4.279 -9.294 6.097 1.00 0.00 N ATOM 1263 CA THR A 86 -4.636 -9.010 7.484 1.00 0.00 C ATOM 1264 C THR A 86 -3.396 -8.650 8.297 1.00 0.00 C ATOM 1265 O THR A 86 -2.334 -9.245 8.120 1.00 0.00 O ATOM 1266 CB THR A 86 -5.339 -10.218 8.111 1.00 0.00 C ATOM 1267 OG1 THR A 86 -4.913 -10.408 9.449 1.00 0.00 O ATOM 1268 CG2 THR A 86 -5.090 -11.512 7.364 1.00 0.00 C ATOM 0 H THR A 86 -4.800 -10.063 5.676 1.00 0.00 H new ATOM 0 HA THR A 86 -5.317 -8.159 7.493 1.00 0.00 H new ATOM 0 HB THR A 86 -6.403 -9.988 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.374 -11.183 9.832 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.617 -12.326 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.453 -11.417 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.021 -11.725 7.352 1.00 0.00 H new ATOM 1276 N CYS A 87 -3.536 -7.671 9.186 1.00 0.00 N ATOM 1277 CA CYS A 87 -2.421 -7.233 10.020 1.00 0.00 C ATOM 1278 C CYS A 87 -2.552 -7.764 11.445 1.00 0.00 C ATOM 1279 O CYS A 87 -3.620 -7.688 12.053 1.00 0.00 O ATOM 1280 CB CYS A 87 -2.342 -5.705 10.039 1.00 0.00 C ATOM 1281 SG CYS A 87 -0.855 -5.025 9.235 1.00 0.00 S ATOM 0 H CYS A 87 -4.408 -7.167 9.347 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.504 -7.636 9.590 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.226 -5.300 9.545 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.370 -5.364 11.074 1.00 0.00 H new ATOM 1286 N TYR A 88 -1.454 -8.297 11.970 1.00 0.00 N ATOM 1287 CA TYR A 88 -1.432 -8.839 13.324 1.00 0.00 C ATOM 1288 C TYR A 88 -2.440 -9.972 13.482 1.00 0.00 C ATOM 1289 O TYR A 88 -3.023 -10.442 12.505 1.00 0.00 O ATOM 1290 CB TYR A 88 -1.730 -7.737 14.343 1.00 0.00 C ATOM 1291 CG TYR A 88 -1.001 -7.912 15.658 1.00 0.00 C ATOM 1292 CD1 TYR A 88 0.307 -8.384 15.694 1.00 0.00 C ATOM 1293 CD2 TYR A 88 -1.621 -7.606 16.863 1.00 0.00 C ATOM 1294 CE1 TYR A 88 0.973 -8.545 16.895 1.00 0.00 C ATOM 1295 CE2 TYR A 88 -0.961 -7.765 18.067 1.00 0.00 C ATOM 1296 CZ TYR A 88 0.335 -8.234 18.078 1.00 0.00 C ATOM 1297 OH TYR A 88 0.995 -8.393 19.274 1.00 0.00 O ATOM 0 H TYR A 88 -0.564 -8.365 11.476 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.434 -9.238 13.506 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.459 -6.773 13.913 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.803 -7.710 14.533 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.810 -8.628 14.770 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.636 -7.238 16.859 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.988 -8.913 16.907 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.458 -7.523 18.995 1.00 0.00 H new ATOM 0 HH TYR A 88 0.512 -7.915 19.980 1.00 0.00 H new ATOM 1307 N TYR A 89 -2.638 -10.404 14.723 1.00 0.00 N ATOM 1308 CA TYR A 89 -3.575 -11.480 15.024 1.00 0.00 C ATOM 1309 C TYR A 89 -3.664 -11.706 16.531 1.00 0.00 C ATOM 1310 O TYR A 89 -2.645 -11.797 17.216 1.00 0.00 O ATOM 1311 CB TYR A 89 -3.151 -12.769 14.307 1.00 0.00 C ATOM 1312 CG TYR A 89 -2.772 -13.904 15.235 1.00 0.00 C ATOM 1313 CD1 TYR A 89 -3.695 -14.440 16.126 1.00 0.00 C ATOM 1314 CD2 TYR A 89 -1.492 -14.440 15.216 1.00 0.00 C ATOM 1315 CE1 TYR A 89 -3.350 -15.478 16.972 1.00 0.00 C ATOM 1316 CE2 TYR A 89 -1.140 -15.477 16.058 1.00 0.00 C ATOM 1317 CZ TYR A 89 -2.071 -15.992 16.934 1.00 0.00 C ATOM 1318 OH TYR A 89 -1.722 -17.025 17.772 1.00 0.00 O ATOM 0 H TYR A 89 -2.160 -10.023 15.540 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.563 -11.193 14.664 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.967 -13.098 13.664 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.304 -12.548 13.658 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.697 -14.039 16.158 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.759 -14.040 14.531 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.078 -15.884 17.659 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.139 -15.882 16.030 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.786 -17.270 17.617 1.00 0.00 H new ATOM 1328 N HIS A 90 -4.888 -11.791 17.040 1.00 0.00 N ATOM 1329 CA HIS A 90 -5.109 -12.002 18.466 1.00 0.00 C ATOM 1330 C HIS A 90 -6.499 -12.573 18.722 1.00 0.00 C ATOM 1331 O HIS A 90 -7.414 -11.851 19.119 1.00 0.00 O ATOM 1332 CB HIS A 90 -4.937 -10.686 19.228 1.00 0.00 C ATOM 1333 CG HIS A 90 -3.636 -10.583 19.961 1.00 0.00 C ATOM 1334 ND1 HIS A 90 -2.860 -9.443 19.961 1.00 0.00 N ATOM 1335 CD2 HIS A 90 -2.974 -11.486 20.725 1.00 0.00 C ATOM 1336 CE1 HIS A 90 -1.778 -9.649 20.691 1.00 0.00 C ATOM 1337 NE2 HIS A 90 -1.824 -10.880 21.165 1.00 0.00 N ATOM 0 H HIS A 90 -5.742 -11.717 16.487 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.370 -12.720 18.822 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.015 -9.856 18.525 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.755 -10.579 19.940 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -3.086 -8.576 19.474 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.292 -12.494 20.946 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.990 -8.932 20.869 1.00 0.00 H new ATOM 1346 N LYS A 91 -6.652 -13.874 18.494 1.00 0.00 N ATOM 1347 CA LYS A 91 -7.932 -14.540 18.702 1.00 0.00 C ATOM 1348 C LYS A 91 -7.993 -15.183 20.083 1.00 0.00 C ATOM 1349 O LYS A 91 -9.065 -15.292 20.675 1.00 0.00 O ATOM 1350 CB LYS A 91 -8.163 -15.601 17.624 1.00 0.00 C ATOM 1351 CG LYS A 91 -9.372 -15.323 16.744 1.00 0.00 C ATOM 1352 CD LYS A 91 -9.022 -15.423 15.268 1.00 0.00 C ATOM 1353 CE LYS A 91 -10.034 -14.689 14.402 1.00 0.00 C ATOM 1354 NZ LYS A 91 -10.692 -13.572 15.134 1.00 0.00 N ATOM 0 H LYS A 91 -5.906 -14.487 18.165 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.718 -13.787 18.635 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.275 -15.668 16.996 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.288 -16.572 18.103 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.166 -16.032 16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.760 -14.327 16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.029 -15.007 15.100 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.982 -16.472 14.973 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.535 -14.297 13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.792 -15.392 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.230 -12.987 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.338 -13.960 15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.968 -12.988 15.600 1.00 0.00 H new ATOM 1368 N SER A 92 -6.830 -15.605 20.580 1.00 0.00 N ATOM 1369 CA SER A 92 -6.716 -16.245 21.892 1.00 0.00 C ATOM 1370 C SER A 92 -6.185 -17.666 21.752 1.00 0.00 C ATOM 1371 O SER A 92 -5.939 -18.311 22.793 1.00 0.00 O ATOM 1372 CB SER A 92 -8.062 -16.267 22.622 1.00 0.00 C ATOM 1373 OG SER A 92 -8.516 -14.951 22.891 1.00 0.00 O ATOM 1374 OXT SER A 92 -6.021 -18.124 20.602 1.00 0.00 O ATOM 0 H SER A 92 -5.942 -15.513 20.086 1.00 0.00 H new ATOM 0 HA SER A 92 -6.014 -15.656 22.482 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.800 -16.793 22.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.964 -16.820 23.556 1.00 0.00 H new ATOM 0 HG SER A 92 -9.123 -14.662 22.178 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -17.524 -10.264 4.285 1.00 0.00 C HETATM 1382 C2 NAG A1052 -16.171 -10.578 3.659 1.00 0.00 C HETATM 1383 C3 NAG A1052 -15.849 -12.056 3.807 1.00 0.00 C HETATM 1384 C4 NAG A1052 -15.969 -12.474 5.260 1.00 0.00 C HETATM 1385 C5 NAG A1052 -17.329 -12.082 5.818 1.00 0.00 C HETATM 1386 C6 NAG A1052 -17.451 -12.380 7.298 1.00 0.00 C HETATM 1387 C7 NAG A1052 -17.043 -10.834 1.425 1.00 0.00 C HETATM 1388 C8 NAG A1052 -17.000 -10.422 -0.037 1.00 0.00 C HETATM 1389 N2 NAG A1052 -16.193 -10.234 2.251 1.00 0.00 N HETATM 1390 O3 NAG A1052 -14.523 -12.290 3.358 1.00 0.00 O HETATM 1391 O4 NAG A1052 -15.813 -13.884 5.356 1.00 0.00 O HETATM 1392 O5 NAG A1052 -17.563 -10.669 5.660 1.00 0.00 O HETATM 1393 O6 NAG A1052 -18.706 -11.956 7.810 1.00 0.00 O HETATM 1394 O7 NAG A1052 -17.844 -11.693 1.798 1.00 0.00 O HETATM 0 HO6 NAG A1052 -19.061 -11.235 7.249 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -15.570 -14.124 6.274 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -14.309 -13.242 3.453 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -15.552 -9.527 1.892 1.00 0.00 H new HETATM 0 H83 NAG A1052 -17.216 -9.357 -0.121 1.00 0.00 H new HETATM 0 H82 NAG A1052 -16.009 -10.624 -0.443 1.00 0.00 H new HETATM 0 H81 NAG A1052 -17.744 -10.989 -0.597 1.00 0.00 H new HETATM 0 H62 NAG A1052 -17.330 -13.450 7.466 1.00 0.00 H new HETATM 0 H61 NAG A1052 -16.648 -11.880 7.839 1.00 0.00 H new HETATM 0 H5 NAG A1052 -18.056 -12.670 5.258 1.00 0.00 H new HETATM 0 H4 NAG A1052 -15.193 -11.970 5.836 1.00 0.00 H new HETATM 0 H3 NAG A1052 -16.553 -12.638 3.212 1.00 0.00 H new HETATM 0 H2 NAG A1052 -15.407 -9.993 4.171 1.00 0.00 H new HETATM 1404 C1 NAG A1078 12.828 -4.093 -9.466 1.00 0.00 C HETATM 1405 C2 NAG A1078 13.913 -4.189 -10.534 1.00 0.00 C HETATM 1406 C3 NAG A1078 13.422 -3.601 -11.845 1.00 0.00 C HETATM 1407 C4 NAG A1078 12.096 -4.220 -12.242 1.00 0.00 C HETATM 1408 C5 NAG A1078 11.092 -4.101 -11.108 1.00 0.00 C HETATM 1409 C6 NAG A1078 9.781 -4.799 -11.414 1.00 0.00 C HETATM 1410 C7 NAG A1078 16.255 -4.078 -9.976 1.00 0.00 C HETATM 1411 C8 NAG A1078 17.447 -3.247 -9.531 1.00 0.00 C HETATM 1412 N2 NAG A1078 15.088 -3.457 -10.100 1.00 0.00 N HETATM 1413 O3 NAG A1078 14.381 -3.859 -12.860 1.00 0.00 O HETATM 1414 O4 NAG A1078 11.588 -3.550 -13.386 1.00 0.00 O HETATM 1415 O5 NAG A1078 11.606 -4.697 -9.913 1.00 0.00 O HETATM 1416 O6 NAG A1078 9.186 -4.285 -12.597 1.00 0.00 O HETATM 1417 O7 NAG A1078 16.398 -5.279 -10.206 1.00 0.00 O HETATM 0 HO6 NAG A1078 8.343 -4.755 -12.770 1.00 0.00 H new HETATM 0 HO4 NAG A1078 10.612 -3.634 -13.408 1.00 0.00 H new HETATM 0 HO3 NAG A1078 14.068 -3.483 -13.709 1.00 0.00 H new HETATM 0 HN2 NAG A1078 15.017 -2.461 -9.889 1.00 0.00 H new HETATM 0 H83 NAG A1078 17.621 -2.447 -10.250 1.00 0.00 H new HETATM 0 H82 NAG A1078 17.244 -2.816 -8.551 1.00 0.00 H new HETATM 0 H81 NAG A1078 18.331 -3.881 -9.473 1.00 0.00 H new HETATM 0 H62 NAG A1078 9.954 -5.869 -11.527 1.00 0.00 H new HETATM 0 H61 NAG A1078 9.096 -4.674 -10.576 1.00 0.00 H new HETATM 0 H5 NAG A1078 10.918 -3.032 -10.982 1.00 0.00 H new HETATM 0 H4 NAG A1078 12.255 -5.275 -12.465 1.00 0.00 H new HETATM 0 H3 NAG A1078 13.285 -2.527 -11.721 1.00 0.00 H new HETATM 0 H2 NAG A1078 14.160 -5.240 -10.684 1.00 0.00 H new