USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 79 LYS NZ :NH3+ 159:sc= -2.09 (180deg=-2.79!) USER MOD Set 1.2: A 110 HEC O2D : rot 71:sc= -0.397 USER MOD Set 2.1: A 49 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.678 K(o=0.68,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.695 (180deg=-4.07!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= 1.1 (180deg=-1.17!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0797 (180deg=-0.33) USER MOD Single : A 16 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.00847 K(o=0.0085,f=-3.4!) USER MOD Single : A 33 HIS : no HD1:sc= -0.546 K(o=-0.55,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 66:sc= 0.519 USER MOD Single : A 42 GLN : amide:sc=-0.00181 K(o=-0.0018,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -1.14 (180deg=-4.65!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= 0.0864 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -135:sc= -0.0294 (180deg=-0.352) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.114 K(o=-0.11,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -30:sc= -0.824 USER MOD Single : A 78 THR OG1 : rot 78:sc= 0.0935 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= 1.11 (180deg=0.445) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 97 TYR OH : rot -57:sc= 0.951 USER MOD Single : A 99 LYS NZ :NH3+ 140:sc=-0.00287 (180deg=-0.605) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= 0.994 (180deg=-1.88!) USER MOD Single : A 102 THR OG1 : rot -80:sc= 1.27 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 110 HEC O2A : rot 80:sc= -0.0647 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.587 -4.271 -14.943 1.00 10.00 N ATOM 2 CA GLY A 1 -4.156 -4.171 -15.033 1.00 10.00 C ATOM 3 C GLY A 1 -3.685 -5.602 -15.222 1.00 10.00 C ATOM 4 O GLY A 1 -4.467 -6.531 -15.013 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.024 -3.601 -15.608 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.883 -5.239 -15.182 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.891 -4.045 -13.974 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.854 -3.540 -15.869 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.732 -3.729 -14.131 1.00 10.00 H new ATOM 10 N ASP A 2 -2.474 -5.743 -15.689 1.00 10.00 N ATOM 11 CA ASP A 2 -1.762 -6.996 -15.869 1.00 10.00 C ATOM 12 C ASP A 2 -1.264 -7.528 -14.525 1.00 10.00 C ATOM 13 O ASP A 2 -0.488 -6.861 -13.843 1.00 10.00 O ATOM 14 CB ASP A 2 -0.548 -6.805 -16.779 1.00 10.00 C ATOM 15 CG ASP A 2 0.070 -8.154 -17.113 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.706 -9.115 -17.293 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.316 -8.222 -17.113 1.00 10.00 O ATOM 0 H ASP A 2 -1.916 -4.939 -15.975 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.458 -7.703 -16.320 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.847 -6.296 -17.695 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.189 -6.170 -16.287 1.00 10.00 H new ATOM 22 N VAL A 3 -1.672 -8.737 -14.141 1.00 10.00 N ATOM 23 CA VAL A 3 -1.190 -9.372 -12.919 1.00 10.00 C ATOM 24 C VAL A 3 0.323 -9.607 -12.992 1.00 10.00 C ATOM 25 O VAL A 3 1.029 -9.367 -12.012 1.00 10.00 O ATOM 26 CB VAL A 3 -1.978 -10.673 -12.671 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.396 -11.500 -11.516 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.443 -10.338 -12.363 1.00 10.00 C ATOM 0 H VAL A 3 -2.342 -9.299 -14.666 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.361 -8.712 -12.069 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.904 -11.273 -13.578 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.988 -12.406 -11.383 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.365 -11.770 -11.745 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.421 -10.912 -10.599 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.998 -11.260 -12.188 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.493 -9.710 -11.474 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.880 -9.806 -13.208 1.00 10.00 H new ATOM 38 N GLU A 4 0.832 -10.080 -14.134 1.00 10.00 N ATOM 39 CA GLU A 4 2.250 -10.389 -14.259 1.00 10.00 C ATOM 40 C GLU A 4 3.066 -9.118 -14.065 1.00 10.00 C ATOM 41 O GLU A 4 3.892 -9.037 -13.155 1.00 10.00 O ATOM 42 CB GLU A 4 2.563 -11.051 -15.610 1.00 10.00 C ATOM 43 CG GLU A 4 2.665 -12.578 -15.474 1.00 10.00 C ATOM 44 CD GLU A 4 3.877 -13.011 -14.651 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.010 -12.592 -14.970 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.671 -13.736 -13.653 1.00 10.00 O ATOM 0 H GLU A 4 0.284 -10.254 -14.976 1.00 10.00 H new ATOM 0 HA GLU A 4 2.522 -11.106 -13.484 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.784 -10.799 -16.330 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.500 -10.655 -16.003 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.757 -12.960 -15.007 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.725 -13.025 -16.466 1.00 10.00 H new ATOM 53 N LYS A 5 2.831 -8.104 -14.897 1.00 10.00 N ATOM 54 CA LYS A 5 3.522 -6.848 -14.741 1.00 10.00 C ATOM 55 C LYS A 5 3.277 -6.290 -13.349 1.00 10.00 C ATOM 56 O LYS A 5 4.233 -5.866 -12.717 1.00 10.00 O ATOM 57 CB LYS A 5 3.215 -5.861 -15.866 1.00 10.00 C ATOM 58 CG LYS A 5 4.040 -6.179 -17.124 1.00 10.00 C ATOM 59 CD LYS A 5 4.294 -4.909 -17.950 1.00 10.00 C ATOM 60 CE LYS A 5 3.137 -4.593 -18.909 1.00 10.00 C ATOM 61 NZ LYS A 5 3.478 -4.949 -20.301 1.00 10.00 N ATOM 0 H LYS A 5 2.172 -8.137 -15.675 1.00 10.00 H new ATOM 0 HA LYS A 5 4.593 -7.029 -14.832 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.152 -5.898 -16.106 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.432 -4.846 -15.532 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.991 -6.626 -16.836 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.513 -6.914 -17.733 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.445 -4.065 -17.277 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.214 -5.029 -18.522 1.00 10.00 H new ATOM 0 HE2 LYS A 5 2.246 -5.140 -18.600 1.00 10.00 H new ATOM 0 HE3 LYS A 5 2.895 -3.532 -18.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 2.676 -4.723 -20.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 4.313 -4.408 -20.603 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 3.685 -5.967 -20.358 1.00 10.00 H new ATOM 75 N GLY A 6 2.056 -6.361 -12.825 1.00 10.00 N ATOM 76 CA GLY A 6 1.771 -5.978 -11.454 1.00 10.00 C ATOM 77 C GLY A 6 2.738 -6.597 -10.441 1.00 10.00 C ATOM 78 O GLY A 6 3.267 -5.902 -9.568 1.00 10.00 O ATOM 0 H GLY A 6 1.240 -6.686 -13.343 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.814 -4.892 -11.371 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.753 -6.277 -11.204 1.00 10.00 H new ATOM 82 N LYS A 7 2.975 -7.908 -10.564 1.00 10.00 N ATOM 83 CA LYS A 7 3.866 -8.657 -9.706 1.00 10.00 C ATOM 84 C LYS A 7 5.239 -8.013 -9.803 1.00 10.00 C ATOM 85 O LYS A 7 5.846 -7.652 -8.795 1.00 10.00 O ATOM 86 CB LYS A 7 3.847 -10.132 -10.130 1.00 10.00 C ATOM 87 CG LYS A 7 4.677 -11.055 -9.229 1.00 10.00 C ATOM 88 CD LYS A 7 4.578 -12.522 -9.685 1.00 10.00 C ATOM 89 CE LYS A 7 5.261 -12.748 -11.043 1.00 10.00 C ATOM 90 NZ LYS A 7 5.058 -14.114 -11.566 1.00 10.00 N ATOM 0 H LYS A 7 2.536 -8.481 -11.285 1.00 10.00 H new ATOM 0 HA LYS A 7 3.558 -8.635 -8.661 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.815 -10.483 -10.139 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.219 -10.210 -11.152 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.720 -10.738 -9.242 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.331 -10.968 -8.199 1.00 10.00 H new ATOM 0 HD2 LYS A 7 5.038 -13.167 -8.936 1.00 10.00 H new ATOM 0 HD3 LYS A 7 3.529 -12.811 -9.754 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.874 -12.027 -11.763 1.00 10.00 H new ATOM 0 HE3 LYS A 7 6.330 -12.557 -10.943 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 5.956 -14.637 -11.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.347 -14.605 -10.987 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.727 -14.063 -12.551 1.00 10.00 H new ATOM 104 N LYS A 8 5.725 -7.841 -11.033 1.00 10.00 N ATOM 105 CA LYS A 8 7.067 -7.325 -11.210 1.00 10.00 C ATOM 106 C LYS A 8 7.163 -5.879 -10.716 1.00 10.00 C ATOM 107 O LYS A 8 8.145 -5.511 -10.085 1.00 10.00 O ATOM 108 CB LYS A 8 7.586 -7.497 -12.645 1.00 10.00 C ATOM 109 CG LYS A 8 7.238 -8.839 -13.313 1.00 10.00 C ATOM 110 CD LYS A 8 7.415 -10.095 -12.441 1.00 10.00 C ATOM 111 CE LYS A 8 8.884 -10.509 -12.259 1.00 10.00 C ATOM 112 NZ LYS A 8 9.254 -11.642 -13.133 1.00 10.00 N ATOM 0 H LYS A 8 5.220 -8.047 -11.895 1.00 10.00 H new ATOM 0 HA LYS A 8 7.732 -7.927 -10.591 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.185 -6.690 -13.258 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.670 -7.384 -12.638 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.202 -8.797 -13.648 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.857 -8.950 -14.204 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.972 -9.914 -11.462 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.865 -10.922 -12.891 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.530 -9.658 -12.476 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.057 -10.783 -11.218 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.252 -11.888 -12.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.656 -12.463 -12.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 9.114 -11.373 -14.128 1.00 10.00 H new ATOM 126 N ILE A 9 6.146 -5.056 -10.966 1.00 10.00 N ATOM 127 CA ILE A 9 6.082 -3.682 -10.517 1.00 10.00 C ATOM 128 C ILE A 9 6.254 -3.658 -9.002 1.00 10.00 C ATOM 129 O ILE A 9 7.189 -3.028 -8.514 1.00 10.00 O ATOM 130 CB ILE A 9 4.768 -3.034 -11.000 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.818 -2.749 -12.513 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.481 -1.715 -10.286 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.473 -2.247 -13.051 1.00 10.00 C ATOM 0 H ILE A 9 5.326 -5.342 -11.501 1.00 10.00 H new ATOM 0 HA ILE A 9 6.888 -3.086 -10.946 1.00 10.00 H new ATOM 0 HB ILE A 9 3.977 -3.748 -10.771 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.589 -2.006 -12.716 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.104 -3.658 -13.043 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.546 -1.296 -10.658 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.397 -1.892 -9.214 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.294 -1.014 -10.475 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.556 -2.059 -14.121 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.706 -3.001 -12.873 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.199 -1.323 -12.541 1.00 10.00 H new ATOM 145 N PHE A 10 5.391 -4.359 -8.263 1.00 10.00 N ATOM 146 CA PHE A 10 5.518 -4.456 -6.812 1.00 10.00 C ATOM 147 C PHE A 10 6.966 -4.778 -6.413 1.00 10.00 C ATOM 148 O PHE A 10 7.536 -4.142 -5.525 1.00 10.00 O ATOM 149 CB PHE A 10 4.534 -5.507 -6.291 1.00 10.00 C ATOM 150 CG PHE A 10 4.626 -5.744 -4.798 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.927 -4.910 -3.906 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.449 -6.771 -4.298 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.010 -5.139 -2.523 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.534 -6.995 -2.915 1.00 10.00 C ATOM 155 CZ PHE A 10 4.785 -6.203 -2.031 1.00 10.00 C ATOM 0 H PHE A 10 4.596 -4.868 -8.649 1.00 10.00 H new ATOM 0 HA PHE A 10 5.272 -3.497 -6.357 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.519 -5.195 -6.538 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.713 -6.448 -6.811 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.328 -4.095 -4.284 1.00 10.00 H new ATOM 0 HD2 PHE A 10 6.016 -7.388 -4.980 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.478 -4.497 -1.837 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.175 -7.775 -2.532 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.804 -6.411 -0.971 1.00 10.00 H new ATOM 165 N VAL A 11 7.577 -5.737 -7.113 1.00 10.00 N ATOM 166 CA VAL A 11 8.945 -6.172 -6.856 1.00 10.00 C ATOM 167 C VAL A 11 9.996 -5.115 -7.227 1.00 10.00 C ATOM 168 O VAL A 11 11.063 -5.058 -6.624 1.00 10.00 O ATOM 169 CB VAL A 11 9.197 -7.518 -7.550 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.650 -7.990 -7.412 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.286 -8.578 -6.931 1.00 10.00 C ATOM 0 H VAL A 11 7.128 -6.236 -7.881 1.00 10.00 H new ATOM 0 HA VAL A 11 9.056 -6.308 -5.780 1.00 10.00 H new ATOM 0 HB VAL A 11 8.987 -7.379 -8.611 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.772 -8.946 -7.921 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.316 -7.253 -7.860 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.896 -8.107 -6.357 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.460 -9.537 -7.419 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.503 -8.668 -5.867 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.244 -8.286 -7.065 1.00 10.00 H new ATOM 181 N GLN A 12 9.730 -4.287 -8.232 1.00 10.00 N ATOM 182 CA GLN A 12 10.662 -3.260 -8.680 1.00 10.00 C ATOM 183 C GLN A 12 10.440 -1.933 -7.953 1.00 10.00 C ATOM 184 O GLN A 12 11.253 -1.023 -8.092 1.00 10.00 O ATOM 185 CB GLN A 12 10.526 -3.088 -10.194 1.00 10.00 C ATOM 186 CG GLN A 12 10.978 -4.372 -10.904 1.00 10.00 C ATOM 187 CD GLN A 12 10.763 -4.298 -12.411 1.00 10.00 C ATOM 188 OE1 GLN A 12 10.683 -3.220 -12.995 1.00 10.00 O ATOM 189 NE2 GLN A 12 10.647 -5.454 -13.057 1.00 10.00 N ATOM 0 H GLN A 12 8.858 -4.310 -8.760 1.00 10.00 H new ATOM 0 HA GLN A 12 11.676 -3.580 -8.440 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.491 -2.863 -10.453 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.129 -2.244 -10.529 1.00 10.00 H new ATOM 0 HG2 GLN A 12 12.033 -4.548 -10.697 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.428 -5.222 -10.501 1.00 10.00 H new ATOM 0 HE21 GLN A 12 10.718 -6.334 -12.545 1.00 10.00 H new ATOM 0 HE22 GLN A 12 10.487 -5.461 -14.064 1.00 10.00 H new ATOM 198 N LYS A 13 9.313 -1.782 -7.250 1.00 10.00 N ATOM 199 CA LYS A 13 8.949 -0.546 -6.572 1.00 10.00 C ATOM 200 C LYS A 13 9.093 -0.688 -5.062 1.00 10.00 C ATOM 201 O LYS A 13 9.678 0.185 -4.424 1.00 10.00 O ATOM 202 CB LYS A 13 7.508 -0.158 -6.916 1.00 10.00 C ATOM 203 CG LYS A 13 7.401 0.695 -8.182 1.00 10.00 C ATOM 204 CD LYS A 13 7.839 -0.043 -9.453 1.00 10.00 C ATOM 205 CE LYS A 13 7.819 0.840 -10.698 1.00 10.00 C ATOM 206 NZ LYS A 13 8.669 2.035 -10.523 1.00 10.00 N ATOM 0 H LYS A 13 8.624 -2.526 -7.138 1.00 10.00 H new ATOM 0 HA LYS A 13 9.627 0.236 -6.914 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.915 -1.064 -7.044 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.076 0.390 -6.079 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.370 1.027 -8.301 1.00 10.00 H new ATOM 0 HG3 LYS A 13 8.012 1.589 -8.061 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.846 -0.435 -9.309 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.184 -0.899 -9.612 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.166 0.267 -11.558 1.00 10.00 H new ATOM 0 HE3 LYS A 13 6.795 1.148 -10.912 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.841 2.477 -11.448 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 8.189 2.714 -9.899 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.577 1.756 -10.098 1.00 10.00 H new ATOM 220 N CYS A 14 8.493 -1.734 -4.491 1.00 10.00 N ATOM 221 CA CYS A 14 8.356 -1.886 -3.053 1.00 10.00 C ATOM 222 C CYS A 14 9.258 -3.032 -2.583 1.00 10.00 C ATOM 223 O CYS A 14 10.313 -2.765 -2.017 1.00 10.00 O ATOM 224 CB CYS A 14 6.895 -2.011 -2.634 1.00 10.00 C ATOM 225 SG CYS A 14 5.658 -1.743 -3.965 1.00 10.00 S ATOM 0 H CYS A 14 8.087 -2.503 -5.024 1.00 10.00 H new ATOM 0 HA CYS A 14 8.698 -0.984 -2.545 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.740 -3.005 -2.215 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.703 -1.295 -1.835 1.00 10.00 H new ATOM 230 N ALA A 15 8.861 -4.284 -2.840 1.00 10.00 N ATOM 231 CA ALA A 15 9.530 -5.534 -2.455 1.00 10.00 C ATOM 232 C ALA A 15 10.294 -5.523 -1.129 1.00 10.00 C ATOM 233 O ALA A 15 9.834 -6.073 -0.135 1.00 10.00 O ATOM 234 CB ALA A 15 10.434 -6.031 -3.589 1.00 10.00 C ATOM 0 H ALA A 15 8.002 -4.464 -3.360 1.00 10.00 H new ATOM 0 HA ALA A 15 8.707 -6.227 -2.279 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.921 -6.958 -3.286 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.833 -6.211 -4.481 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.191 -5.278 -3.808 1.00 10.00 H new ATOM 240 N GLN A 16 11.493 -4.944 -1.088 1.00 10.00 N ATOM 241 CA GLN A 16 12.329 -4.883 0.094 1.00 10.00 C ATOM 242 C GLN A 16 11.807 -3.816 1.072 1.00 10.00 C ATOM 243 O GLN A 16 12.558 -2.984 1.574 1.00 10.00 O ATOM 244 CB GLN A 16 13.785 -4.693 -0.375 1.00 10.00 C ATOM 245 CG GLN A 16 14.658 -5.879 0.032 1.00 10.00 C ATOM 246 CD GLN A 16 15.030 -5.820 1.511 1.00 10.00 C ATOM 247 OE1 GLN A 16 16.058 -5.267 1.878 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.200 -6.384 2.386 1.00 10.00 N ATOM 0 H GLN A 16 11.914 -4.495 -1.901 1.00 10.00 H new ATOM 0 HA GLN A 16 12.295 -5.807 0.672 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.808 -4.576 -1.459 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.191 -3.776 0.053 1.00 10.00 H new ATOM 0 HG2 GLN A 16 14.128 -6.809 -0.174 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.565 -5.888 -0.572 1.00 10.00 H new ATOM 0 HE21 GLN A 16 13.348 -6.840 2.060 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.416 -6.360 3.383 1.00 10.00 H new ATOM 257 N CYS A 17 10.509 -3.890 1.378 1.00 10.00 N ATOM 258 CA CYS A 17 9.814 -3.122 2.397 1.00 10.00 C ATOM 259 C CYS A 17 8.469 -3.795 2.685 1.00 10.00 C ATOM 260 O CYS A 17 8.154 -4.019 3.853 1.00 10.00 O ATOM 261 CB CYS A 17 9.643 -1.665 2.020 1.00 10.00 C ATOM 262 SG CYS A 17 9.044 -0.787 3.499 1.00 10.00 S ATOM 0 H CYS A 17 9.883 -4.529 0.887 1.00 10.00 H new ATOM 0 HA CYS A 17 10.423 -3.115 3.301 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.589 -1.243 1.680 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.934 -1.562 1.199 1.00 10.00 H new ATOM 267 N HIS A 18 7.697 -4.130 1.637 1.00 10.00 N ATOM 268 CA HIS A 18 6.384 -4.762 1.757 1.00 10.00 C ATOM 269 C HIS A 18 6.436 -6.206 1.300 1.00 10.00 C ATOM 270 O HIS A 18 7.249 -6.582 0.466 1.00 10.00 O ATOM 271 CB HIS A 18 5.349 -4.073 0.863 1.00 10.00 C ATOM 272 CG HIS A 18 4.631 -2.923 1.496 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.678 -2.976 2.492 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.618 -1.669 0.980 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.140 -1.744 2.601 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.692 -0.912 1.690 1.00 10.00 N ATOM 0 H HIS A 18 7.978 -3.964 0.670 1.00 10.00 H new ATOM 0 HA HIS A 18 6.105 -4.685 2.808 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.849 -3.718 -0.038 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.613 -4.813 0.549 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.427 -3.796 3.044 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.224 -1.318 0.158 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.378 -1.463 3.313 1.00 10.00 H new ATOM 284 N THR A 19 5.470 -6.984 1.774 1.00 10.00 N ATOM 285 CA THR A 19 5.214 -8.328 1.309 1.00 10.00 C ATOM 286 C THR A 19 3.708 -8.437 1.066 1.00 10.00 C ATOM 287 O THR A 19 2.953 -7.707 1.707 1.00 10.00 O ATOM 288 CB THR A 19 5.707 -9.286 2.393 1.00 10.00 C ATOM 289 OG1 THR A 19 7.058 -9.034 2.725 1.00 10.00 O ATOM 290 CG2 THR A 19 5.593 -10.720 1.908 1.00 10.00 C ATOM 0 H THR A 19 4.831 -6.684 2.510 1.00 10.00 H new ATOM 0 HA THR A 19 5.730 -8.575 0.381 1.00 10.00 H new ATOM 0 HB THR A 19 5.087 -9.131 3.276 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.346 -9.660 3.422 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.946 -11.396 2.686 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.552 -10.944 1.677 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.199 -10.850 1.012 1.00 10.00 H new ATOM 298 N VAL A 20 3.284 -9.289 0.128 1.00 10.00 N ATOM 299 CA VAL A 20 1.882 -9.528 -0.212 1.00 10.00 C ATOM 300 C VAL A 20 1.630 -11.034 -0.296 1.00 10.00 C ATOM 301 O VAL A 20 0.871 -11.497 -1.140 1.00 10.00 O ATOM 302 CB VAL A 20 1.527 -8.829 -1.537 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.463 -7.313 -1.382 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.478 -9.160 -2.684 1.00 10.00 C ATOM 0 H VAL A 20 3.928 -9.848 -0.432 1.00 10.00 H new ATOM 0 HA VAL A 20 1.241 -9.110 0.565 1.00 10.00 H new ATOM 0 HB VAL A 20 0.543 -9.221 -1.793 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.210 -6.860 -2.340 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.702 -7.054 -0.646 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.432 -6.940 -1.049 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.162 -8.630 -3.583 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.489 -8.853 -2.418 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.462 -10.234 -2.871 1.00 10.00 H new ATOM 314 N GLU A 21 2.294 -11.794 0.574 1.00 10.00 N ATOM 315 CA GLU A 21 2.347 -13.243 0.531 1.00 10.00 C ATOM 316 C GLU A 21 2.139 -13.736 1.970 1.00 10.00 C ATOM 317 O GLU A 21 2.514 -13.051 2.934 1.00 10.00 O ATOM 318 CB GLU A 21 3.702 -13.698 -0.048 1.00 10.00 C ATOM 319 CG GLU A 21 4.105 -13.073 -1.409 1.00 10.00 C ATOM 320 CD GLU A 21 3.521 -13.742 -2.657 1.00 10.00 C ATOM 321 OE1 GLU A 21 3.625 -14.986 -2.713 1.00 10.00 O ATOM 322 OE2 GLU A 21 3.072 -12.997 -3.567 1.00 10.00 O ATOM 0 H GLU A 21 2.825 -11.399 1.350 1.00 10.00 H new ATOM 0 HA GLU A 21 1.575 -13.661 -0.115 1.00 10.00 H new ATOM 0 HB2 GLU A 21 4.481 -13.468 0.679 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.681 -14.782 -0.161 1.00 10.00 H new ATOM 0 HG2 GLU A 21 3.803 -12.026 -1.408 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.192 -13.092 -1.487 1.00 10.00 H new ATOM 329 N LYS A 22 1.525 -14.913 2.117 1.00 10.00 N ATOM 330 CA LYS A 22 1.137 -15.484 3.401 1.00 10.00 C ATOM 331 C LYS A 22 2.390 -15.974 4.143 1.00 10.00 C ATOM 332 O LYS A 22 2.658 -17.169 4.243 1.00 10.00 O ATOM 333 CB LYS A 22 0.092 -16.590 3.153 1.00 10.00 C ATOM 334 CG LYS A 22 -0.971 -16.734 4.250 1.00 10.00 C ATOM 335 CD LYS A 22 -0.431 -17.066 5.650 1.00 10.00 C ATOM 336 CE LYS A 22 -1.292 -18.136 6.334 1.00 10.00 C ATOM 337 NZ LYS A 22 -0.856 -19.495 5.948 1.00 10.00 N ATOM 0 H LYS A 22 1.280 -15.507 1.325 1.00 10.00 H new ATOM 0 HA LYS A 22 0.671 -14.740 4.046 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.409 -16.390 2.206 1.00 10.00 H new ATOM 0 HB3 LYS A 22 0.611 -17.542 3.044 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -1.537 -15.804 4.308 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -1.671 -17.515 3.954 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.598 -17.417 5.573 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -0.414 -16.163 6.260 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -1.227 -18.023 7.416 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -2.338 -17.995 6.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -1.454 -20.200 6.424 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -0.942 -19.607 4.918 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 0.135 -19.635 6.230 1.00 10.00 H new ATOM 351 N GLY A 23 3.168 -15.024 4.657 1.00 10.00 N ATOM 352 CA GLY A 23 4.501 -15.263 5.190 1.00 10.00 C ATOM 353 C GLY A 23 5.222 -13.967 5.561 1.00 10.00 C ATOM 354 O GLY A 23 6.033 -13.968 6.486 1.00 10.00 O ATOM 0 H GLY A 23 2.880 -14.047 4.714 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.428 -15.900 6.072 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.092 -15.806 4.453 1.00 10.00 H new ATOM 358 N GLY A 24 4.945 -12.865 4.850 1.00 10.00 N ATOM 359 CA GLY A 24 5.473 -11.554 5.192 1.00 10.00 C ATOM 360 C GLY A 24 5.364 -11.259 6.687 1.00 10.00 C ATOM 361 O GLY A 24 4.284 -11.376 7.270 1.00 10.00 O ATOM 0 H GLY A 24 4.348 -12.866 4.023 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.518 -11.494 4.887 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.933 -10.790 4.632 1.00 10.00 H new ATOM 365 N LYS A 25 6.501 -10.897 7.286 1.00 10.00 N ATOM 366 CA LYS A 25 6.615 -10.548 8.691 1.00 10.00 C ATOM 367 C LYS A 25 6.379 -9.045 8.852 1.00 10.00 C ATOM 368 O LYS A 25 5.861 -8.403 7.942 1.00 10.00 O ATOM 369 CB LYS A 25 7.995 -10.982 9.208 1.00 10.00 C ATOM 370 CG LYS A 25 8.275 -12.453 8.870 1.00 10.00 C ATOM 371 CD LYS A 25 9.521 -12.959 9.617 1.00 10.00 C ATOM 372 CE LYS A 25 9.153 -14.135 10.533 1.00 10.00 C ATOM 373 NZ LYS A 25 10.307 -14.618 11.321 1.00 10.00 N ATOM 0 H LYS A 25 7.389 -10.839 6.787 1.00 10.00 H new ATOM 0 HA LYS A 25 5.863 -11.067 9.285 1.00 10.00 H new ATOM 0 HB2 LYS A 25 8.767 -10.351 8.767 1.00 10.00 H new ATOM 0 HB3 LYS A 25 8.044 -10.838 10.287 1.00 10.00 H new ATOM 0 HG2 LYS A 25 7.412 -13.063 9.138 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.421 -12.562 7.795 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.281 -13.271 8.901 1.00 10.00 H new ATOM 0 HD3 LYS A 25 9.953 -12.151 10.207 1.00 10.00 H new ATOM 0 HE2 LYS A 25 8.356 -13.829 11.211 1.00 10.00 H new ATOM 0 HE3 LYS A 25 8.761 -14.953 9.929 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 10.008 -15.412 11.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.059 -14.936 10.677 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 10.667 -13.846 11.918 1.00 10.00 H new ATOM 387 N HIS A 26 6.763 -8.486 10.005 1.00 10.00 N ATOM 388 CA HIS A 26 6.402 -7.121 10.350 1.00 10.00 C ATOM 389 C HIS A 26 7.114 -6.123 9.429 1.00 10.00 C ATOM 390 O HIS A 26 6.483 -5.517 8.567 1.00 10.00 O ATOM 391 CB HIS A 26 6.670 -6.845 11.850 1.00 10.00 C ATOM 392 CG HIS A 26 6.471 -8.017 12.787 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.399 -8.491 13.692 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.377 -8.838 12.854 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.873 -9.578 14.283 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.649 -9.835 13.796 1.00 10.00 N ATOM 0 H HIS A 26 7.324 -8.964 10.710 1.00 10.00 H new ATOM 0 HA HIS A 26 5.332 -6.988 10.192 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.695 -6.491 11.956 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.017 -6.033 12.172 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.467 -8.734 12.282 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.367 -10.163 15.044 1.00 10.00 H new ATOM 0 HE2 HIS A 26 5.037 -10.607 14.061 1.00 10.00 H new ATOM 404 N LYS A 27 8.438 -5.985 9.593 1.00 10.00 N ATOM 405 CA LYS A 27 9.271 -5.096 8.789 1.00 10.00 C ATOM 406 C LYS A 27 8.687 -3.669 8.722 1.00 10.00 C ATOM 407 O LYS A 27 7.921 -3.283 9.604 1.00 10.00 O ATOM 408 CB LYS A 27 9.546 -5.778 7.434 1.00 10.00 C ATOM 409 CG LYS A 27 10.669 -6.811 7.610 1.00 10.00 C ATOM 410 CD LYS A 27 10.919 -7.573 6.302 1.00 10.00 C ATOM 411 CE LYS A 27 12.291 -8.266 6.336 1.00 10.00 C ATOM 412 NZ LYS A 27 12.659 -8.834 5.022 1.00 10.00 N ATOM 0 H LYS A 27 8.963 -6.499 10.301 1.00 10.00 H new ATOM 0 HA LYS A 27 10.242 -4.936 9.257 1.00 10.00 H new ATOM 0 HB2 LYS A 27 8.642 -6.264 7.067 1.00 10.00 H new ATOM 0 HB3 LYS A 27 9.832 -5.035 6.690 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.584 -6.310 7.925 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.403 -7.513 8.400 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.134 -8.314 6.150 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.874 -6.884 5.459 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.051 -7.549 6.646 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.277 -9.060 7.083 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 13.590 -9.291 5.090 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.948 -9.537 4.736 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 12.698 -8.074 4.314 1.00 10.00 H new ATOM 426 N THR A 28 9.084 -2.853 7.736 1.00 10.00 N ATOM 427 CA THR A 28 8.501 -1.526 7.577 1.00 10.00 C ATOM 428 C THR A 28 7.136 -1.627 6.881 1.00 10.00 C ATOM 429 O THR A 28 6.185 -1.038 7.378 1.00 10.00 O ATOM 430 CB THR A 28 9.505 -0.516 6.986 1.00 10.00 C ATOM 431 OG1 THR A 28 10.632 -0.439 7.835 1.00 10.00 O ATOM 432 CG2 THR A 28 8.914 0.890 6.877 1.00 10.00 C ATOM 0 H THR A 28 9.798 -3.090 7.047 1.00 10.00 H new ATOM 0 HA THR A 28 8.283 -1.095 8.554 1.00 10.00 H new ATOM 0 HB THR A 28 9.768 -0.865 5.987 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.277 0.200 7.466 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.658 1.566 6.456 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.037 0.867 6.230 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.625 1.241 7.868 1.00 10.00 H new ATOM 440 N GLY A 29 6.995 -2.362 5.771 1.00 10.00 N ATOM 441 CA GLY A 29 5.721 -2.493 5.067 1.00 10.00 C ATOM 442 C GLY A 29 4.926 -3.692 5.597 1.00 10.00 C ATOM 443 O GLY A 29 5.329 -4.833 5.364 1.00 10.00 O ATOM 0 H GLY A 29 7.761 -2.880 5.340 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.137 -1.581 5.190 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.902 -2.614 3.999 1.00 10.00 H new ATOM 447 N PRO A 30 3.801 -3.478 6.298 1.00 10.00 N ATOM 448 CA PRO A 30 3.255 -4.491 7.184 1.00 10.00 C ATOM 449 C PRO A 30 2.427 -5.542 6.467 1.00 10.00 C ATOM 450 O PRO A 30 1.203 -5.517 6.546 1.00 10.00 O ATOM 451 CB PRO A 30 2.415 -3.709 8.194 1.00 10.00 C ATOM 452 CG PRO A 30 1.932 -2.495 7.409 1.00 10.00 C ATOM 453 CD PRO A 30 3.138 -2.199 6.523 1.00 10.00 C ATOM 0 HA PRO A 30 4.054 -5.065 7.653 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.580 -4.303 8.564 1.00 10.00 H new ATOM 0 HB3 PRO A 30 3.006 -3.414 9.062 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.039 -2.715 6.824 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.688 -1.657 8.061 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.827 -1.750 5.579 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.811 -1.491 7.006 1.00 10.00 H new ATOM 461 N ASN A 31 3.125 -6.477 5.815 1.00 10.00 N ATOM 462 CA ASN A 31 2.570 -7.565 5.022 1.00 10.00 C ATOM 463 C ASN A 31 1.201 -7.200 4.457 1.00 10.00 C ATOM 464 O ASN A 31 0.171 -7.617 4.975 1.00 10.00 O ATOM 465 CB ASN A 31 2.538 -8.897 5.781 1.00 10.00 C ATOM 466 CG ASN A 31 2.298 -10.050 4.802 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.207 -9.848 3.594 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.265 -11.287 5.281 1.00 10.00 N ATOM 0 H ASN A 31 4.145 -6.491 5.830 1.00 10.00 H new ATOM 0 HA ASN A 31 3.246 -7.713 4.180 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.480 -9.047 6.309 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.750 -8.878 6.534 1.00 10.00 H new ATOM 0 HD21 ASN A 31 2.164 -12.078 4.645 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.341 -11.447 6.285 1.00 10.00 H new ATOM 475 N LEU A 32 1.236 -6.419 3.378 1.00 10.00 N ATOM 476 CA LEU A 32 0.111 -5.895 2.615 1.00 10.00 C ATOM 477 C LEU A 32 -0.956 -6.985 2.360 1.00 10.00 C ATOM 478 O LEU A 32 -2.123 -6.683 2.128 1.00 10.00 O ATOM 479 CB LEU A 32 0.695 -5.343 1.302 1.00 10.00 C ATOM 480 CG LEU A 32 0.488 -3.863 0.961 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.399 -3.513 -0.222 1.00 10.00 C ATOM 482 CD2 LEU A 32 -0.950 -3.618 0.566 1.00 10.00 C ATOM 0 H LEU A 32 2.126 -6.113 2.985 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.404 -5.108 3.166 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.769 -5.531 1.315 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.278 -5.931 0.484 1.00 10.00 H new ATOM 0 HG LEU A 32 0.726 -3.247 1.828 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.269 -2.463 -0.483 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.438 -3.692 0.054 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.138 -4.135 -1.078 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.087 -2.564 0.326 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.196 -4.224 -0.306 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.606 -3.890 1.393 1.00 10.00 H new ATOM 494 N HIS A 33 -0.565 -8.263 2.390 1.00 10.00 N ATOM 495 CA HIS A 33 -1.466 -9.399 2.531 1.00 10.00 C ATOM 496 C HIS A 33 -2.624 -9.128 3.509 1.00 10.00 C ATOM 497 O HIS A 33 -2.410 -8.953 4.704 1.00 10.00 O ATOM 498 CB HIS A 33 -0.631 -10.618 2.922 1.00 10.00 C ATOM 499 CG HIS A 33 -1.381 -11.912 2.847 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.603 -12.680 1.723 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.940 -12.547 3.916 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.315 -13.750 2.118 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.543 -13.714 3.444 1.00 10.00 N ATOM 0 H HIS A 33 0.414 -8.538 2.314 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.961 -9.589 1.579 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.240 -10.675 2.269 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.260 -10.482 3.938 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.920 -12.209 4.941 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.658 -14.534 1.459 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.055 -14.403 3.995 1.00 10.00 H new ATOM 511 N GLY A 34 -3.862 -9.100 2.998 1.00 10.00 N ATOM 512 CA GLY A 34 -5.055 -8.769 3.775 1.00 10.00 C ATOM 513 C GLY A 34 -5.529 -7.323 3.588 1.00 10.00 C ATOM 514 O GLY A 34 -6.526 -6.925 4.189 1.00 10.00 O ATOM 0 H GLY A 34 -4.061 -9.310 2.020 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.861 -9.446 3.493 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -4.849 -8.941 4.831 1.00 10.00 H new ATOM 518 N LEU A 35 -4.849 -6.539 2.746 1.00 10.00 N ATOM 519 CA LEU A 35 -5.218 -5.161 2.455 1.00 10.00 C ATOM 520 C LEU A 35 -6.644 -5.077 1.903 1.00 10.00 C ATOM 521 O LEU A 35 -7.500 -4.385 2.452 1.00 10.00 O ATOM 522 CB LEU A 35 -4.181 -4.595 1.466 1.00 10.00 C ATOM 523 CG LEU A 35 -4.466 -3.219 0.834 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.157 -2.074 1.793 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.750 -2.991 -0.490 1.00 10.00 C ATOM 0 H LEU A 35 -4.018 -6.852 2.244 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.213 -4.565 3.368 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.224 -4.534 1.983 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.061 -5.316 0.658 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.535 -3.228 0.623 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.373 -1.123 1.306 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.773 -2.172 2.687 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.104 -2.108 2.073 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.000 -2.002 -0.873 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.673 -3.060 -0.338 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.064 -3.748 -1.209 1.00 10.00 H new ATOM 537 N PHE A 36 -6.891 -5.772 0.792 1.00 10.00 N ATOM 538 CA PHE A 36 -8.154 -5.686 0.075 1.00 10.00 C ATOM 539 C PHE A 36 -9.245 -6.343 0.909 1.00 10.00 C ATOM 540 O PHE A 36 -9.232 -7.558 1.090 1.00 10.00 O ATOM 541 CB PHE A 36 -8.071 -6.349 -1.309 1.00 10.00 C ATOM 542 CG PHE A 36 -7.285 -5.573 -2.349 1.00 10.00 C ATOM 543 CD1 PHE A 36 -5.918 -5.333 -2.151 1.00 10.00 C ATOM 544 CD2 PHE A 36 -7.906 -5.095 -3.521 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.213 -4.520 -3.045 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.156 -4.375 -4.469 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.832 -4.014 -4.189 1.00 10.00 C ATOM 0 H PHE A 36 -6.217 -6.410 0.367 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.388 -4.634 -0.085 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.619 -7.335 -1.196 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.084 -6.503 -1.682 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.409 -5.776 -1.308 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -8.956 -5.281 -3.691 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.178 -4.281 -2.848 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -7.602 -4.100 -5.414 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.296 -3.351 -4.852 1.00 10.00 H new ATOM 557 N GLY A 37 -10.191 -5.540 1.395 1.00 10.00 N ATOM 558 CA GLY A 37 -11.317 -6.004 2.187 1.00 10.00 C ATOM 559 C GLY A 37 -11.338 -5.283 3.525 1.00 10.00 C ATOM 560 O GLY A 37 -12.400 -4.859 3.979 1.00 10.00 O ATOM 0 H GLY A 37 -10.191 -4.531 1.244 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.249 -5.823 1.652 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.244 -7.080 2.345 1.00 10.00 H new ATOM 564 N ARG A 38 -10.170 -5.132 4.155 1.00 10.00 N ATOM 565 CA ARG A 38 -10.075 -4.452 5.434 1.00 10.00 C ATOM 566 C ARG A 38 -9.857 -2.956 5.203 1.00 10.00 C ATOM 567 O ARG A 38 -9.505 -2.527 4.105 1.00 10.00 O ATOM 568 CB ARG A 38 -9.003 -5.123 6.310 1.00 10.00 C ATOM 569 CG ARG A 38 -9.228 -4.788 7.796 1.00 10.00 C ATOM 570 CD ARG A 38 -9.030 -5.982 8.745 1.00 10.00 C ATOM 571 NE ARG A 38 -9.921 -5.867 9.914 1.00 10.00 N ATOM 572 CZ ARG A 38 -10.141 -6.832 10.822 1.00 10.00 C ATOM 573 NH1 ARG A 38 -9.367 -7.922 10.837 1.00 10.00 N ATOM 574 NH2 ARG A 38 -11.146 -6.708 11.697 1.00 10.00 N ATOM 0 H ARG A 38 -9.280 -5.475 3.793 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.007 -4.541 5.991 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.033 -6.203 6.167 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.012 -4.788 6.002 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.544 -3.990 8.085 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.239 -4.402 7.921 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -9.234 -6.913 8.215 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.992 -6.024 9.075 1.00 10.00 H new ATOM 0 HE ARG A 38 -10.411 -4.982 10.044 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -8.611 -8.020 10.160 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -9.533 -8.656 11.526 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -11.743 -5.882 11.674 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -11.315 -7.440 12.387 1.00 10.00 H new ATOM 588 N LYS A 39 -10.138 -2.151 6.228 1.00 10.00 N ATOM 589 CA LYS A 39 -9.946 -0.712 6.191 1.00 10.00 C ATOM 590 C LYS A 39 -8.560 -0.355 6.726 1.00 10.00 C ATOM 591 O LYS A 39 -7.755 -1.228 7.039 1.00 10.00 O ATOM 592 CB LYS A 39 -11.088 -0.042 6.974 1.00 10.00 C ATOM 593 CG LYS A 39 -12.395 -0.143 6.168 1.00 10.00 C ATOM 594 CD LYS A 39 -13.567 -0.669 7.009 1.00 10.00 C ATOM 595 CE LYS A 39 -14.128 0.396 7.962 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.065 1.317 7.283 1.00 10.00 N ATOM 0 H LYS A 39 -10.510 -2.490 7.115 1.00 10.00 H new ATOM 0 HA LYS A 39 -9.984 -0.340 5.167 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.209 -0.524 7.944 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.847 1.004 7.165 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.650 0.840 5.771 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.241 -0.802 5.314 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -14.361 -1.014 6.346 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.237 -1.532 7.587 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.640 -0.094 8.791 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.305 0.968 8.389 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.418 2.018 7.965 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.572 1.805 6.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.865 0.776 6.897 1.00 10.00 H new ATOM 610 N THR A 40 -8.280 0.941 6.817 1.00 10.00 N ATOM 611 CA THR A 40 -7.070 1.486 7.384 1.00 10.00 C ATOM 612 C THR A 40 -6.954 1.189 8.880 1.00 10.00 C ATOM 613 O THR A 40 -7.897 0.727 9.519 1.00 10.00 O ATOM 614 CB THR A 40 -7.099 2.993 7.122 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.322 3.537 7.584 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.016 3.252 5.628 1.00 10.00 C ATOM 0 H THR A 40 -8.920 1.661 6.482 1.00 10.00 H new ATOM 0 HA THR A 40 -6.197 1.025 6.922 1.00 10.00 H new ATOM 0 HB THR A 40 -6.257 3.452 7.640 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.367 3.458 8.560 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.037 4.326 5.443 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.088 2.834 5.237 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.864 2.782 5.130 1.00 10.00 H new ATOM 624 N GLY A 41 -5.782 1.515 9.426 1.00 10.00 N ATOM 625 CA GLY A 41 -5.406 1.262 10.814 1.00 10.00 C ATOM 626 C GLY A 41 -5.762 -0.148 11.272 1.00 10.00 C ATOM 627 O GLY A 41 -6.311 -0.326 12.358 1.00 10.00 O ATOM 0 H GLY A 41 -5.045 1.978 8.895 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.333 1.417 10.930 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -5.904 1.986 11.459 1.00 10.00 H new ATOM 631 N GLN A 42 -5.452 -1.139 10.437 1.00 10.00 N ATOM 632 CA GLN A 42 -5.754 -2.539 10.664 1.00 10.00 C ATOM 633 C GLN A 42 -4.677 -3.355 9.957 1.00 10.00 C ATOM 634 O GLN A 42 -4.608 -3.331 8.731 1.00 10.00 O ATOM 635 CB GLN A 42 -7.123 -2.879 10.063 1.00 10.00 C ATOM 636 CG GLN A 42 -8.334 -2.424 10.889 1.00 10.00 C ATOM 637 CD GLN A 42 -8.551 -3.277 12.136 1.00 10.00 C ATOM 638 OE1 GLN A 42 -7.819 -4.227 12.400 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.601 -2.986 12.898 1.00 10.00 N ATOM 0 H GLN A 42 -4.967 -0.976 9.555 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.777 -2.759 11.731 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.189 -2.427 9.073 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.183 -3.959 9.925 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.197 -1.384 11.185 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.228 -2.463 10.267 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.198 -2.193 12.663 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.810 -3.556 13.718 1.00 10.00 H new ATOM 648 N ALA A 43 -3.850 -4.067 10.720 1.00 10.00 N ATOM 649 CA ALA A 43 -2.853 -5.000 10.220 1.00 10.00 C ATOM 650 C ALA A 43 -2.289 -5.731 11.438 1.00 10.00 C ATOM 651 O ALA A 43 -2.211 -5.122 12.506 1.00 10.00 O ATOM 652 CB ALA A 43 -1.739 -4.260 9.472 1.00 10.00 C ATOM 0 H ALA A 43 -3.859 -4.005 11.738 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.298 -5.700 9.513 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.005 -4.979 9.108 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.165 -3.717 8.628 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.253 -3.556 10.147 1.00 10.00 H new ATOM 658 N PRO A 44 -1.945 -7.022 11.327 1.00 10.00 N ATOM 659 CA PRO A 44 -1.369 -7.761 12.434 1.00 10.00 C ATOM 660 C PRO A 44 0.084 -7.338 12.667 1.00 10.00 C ATOM 661 O PRO A 44 0.731 -6.787 11.779 1.00 10.00 O ATOM 662 CB PRO A 44 -1.487 -9.237 12.044 1.00 10.00 C ATOM 663 CG PRO A 44 -1.488 -9.215 10.513 1.00 10.00 C ATOM 664 CD PRO A 44 -2.115 -7.866 10.156 1.00 10.00 C ATOM 0 HA PRO A 44 -1.885 -7.567 13.375 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.654 -9.821 12.435 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.401 -9.682 12.438 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.478 -9.303 10.113 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.066 -10.043 10.103 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.628 -7.428 9.285 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.170 -7.980 9.907 1.00 10.00 H new ATOM 672 N GLY A 45 0.592 -7.616 13.873 1.00 10.00 N ATOM 673 CA GLY A 45 1.976 -7.370 14.255 1.00 10.00 C ATOM 674 C GLY A 45 2.431 -5.946 13.954 1.00 10.00 C ATOM 675 O GLY A 45 3.511 -5.744 13.401 1.00 10.00 O ATOM 0 H GLY A 45 0.036 -8.027 14.623 1.00 10.00 H new ATOM 0 HA2 GLY A 45 2.094 -7.566 15.321 1.00 10.00 H new ATOM 0 HA3 GLY A 45 2.623 -8.072 13.729 1.00 10.00 H new ATOM 679 N PHE A 46 1.613 -4.960 14.331 1.00 10.00 N ATOM 680 CA PHE A 46 1.924 -3.555 14.141 1.00 10.00 C ATOM 681 C PHE A 46 1.015 -2.747 15.067 1.00 10.00 C ATOM 682 O PHE A 46 -0.159 -3.086 15.193 1.00 10.00 O ATOM 683 CB PHE A 46 1.659 -3.173 12.675 1.00 10.00 C ATOM 684 CG PHE A 46 2.548 -2.073 12.124 1.00 10.00 C ATOM 685 CD1 PHE A 46 2.205 -0.719 12.292 1.00 10.00 C ATOM 686 CD2 PHE A 46 3.646 -2.409 11.313 1.00 10.00 C ATOM 687 CE1 PHE A 46 2.877 0.280 11.572 1.00 10.00 C ATOM 688 CE2 PHE A 46 4.292 -1.416 10.553 1.00 10.00 C ATOM 689 CZ PHE A 46 3.895 -0.072 10.673 1.00 10.00 C ATOM 0 H PHE A 46 0.711 -5.123 14.779 1.00 10.00 H new ATOM 0 HA PHE A 46 2.970 -3.351 14.372 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.782 -4.062 12.056 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.619 -2.860 12.580 1.00 10.00 H new ATOM 0 HD1 PHE A 46 1.419 -0.447 12.980 1.00 10.00 H new ATOM 0 HD2 PHE A 46 3.994 -3.431 11.273 1.00 10.00 H new ATOM 0 HE1 PHE A 46 2.611 1.318 11.709 1.00 10.00 H new ATOM 0 HE2 PHE A 46 5.091 -1.686 9.879 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.373 0.688 10.074 1.00 10.00 H new ATOM 699 N THR A 47 1.514 -1.673 15.683 1.00 10.00 N ATOM 700 CA THR A 47 0.747 -0.857 16.626 1.00 10.00 C ATOM 701 C THR A 47 -0.019 0.272 15.924 1.00 10.00 C ATOM 702 O THR A 47 -0.314 1.295 16.536 1.00 10.00 O ATOM 703 CB THR A 47 1.704 -0.314 17.705 1.00 10.00 C ATOM 704 OG1 THR A 47 2.761 -1.236 17.918 1.00 10.00 O ATOM 705 CG2 THR A 47 0.998 -0.075 19.045 1.00 10.00 C ATOM 0 H THR A 47 2.469 -1.343 15.540 1.00 10.00 H new ATOM 0 HA THR A 47 -0.012 -1.481 17.098 1.00 10.00 H new ATOM 0 HB THR A 47 2.083 0.640 17.340 1.00 10.00 H new ATOM 0 HG1 THR A 47 3.368 -0.886 18.603 1.00 10.00 H new ATOM 0 HG21 THR A 47 1.715 0.307 19.771 1.00 10.00 H new ATOM 0 HG22 THR A 47 0.197 0.651 18.910 1.00 10.00 H new ATOM 0 HG23 THR A 47 0.579 -1.014 19.408 1.00 10.00 H new ATOM 713 N TYR A 48 -0.346 0.074 14.643 1.00 10.00 N ATOM 714 CA TYR A 48 -0.925 1.041 13.733 1.00 10.00 C ATOM 715 C TYR A 48 0.055 2.182 13.478 1.00 10.00 C ATOM 716 O TYR A 48 1.131 2.213 14.073 1.00 10.00 O ATOM 717 CB TYR A 48 -2.297 1.498 14.247 1.00 10.00 C ATOM 718 CG TYR A 48 -3.169 0.360 14.749 1.00 10.00 C ATOM 719 CD1 TYR A 48 -3.573 -0.647 13.856 1.00 10.00 C ATOM 720 CD2 TYR A 48 -3.421 0.208 16.128 1.00 10.00 C ATOM 721 CE1 TYR A 48 -4.269 -1.773 14.326 1.00 10.00 C ATOM 722 CE2 TYR A 48 -4.125 -0.916 16.596 1.00 10.00 C ATOM 723 CZ TYR A 48 -4.564 -1.897 15.693 1.00 10.00 C ATOM 724 OH TYR A 48 -5.296 -2.956 16.142 1.00 10.00 O ATOM 0 H TYR A 48 -0.199 -0.830 14.194 1.00 10.00 H new ATOM 0 HA TYR A 48 -1.106 0.580 12.762 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -2.152 2.217 15.054 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.821 2.019 13.446 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -3.347 -0.555 12.804 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -3.073 0.955 16.826 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -4.577 -2.544 13.635 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -4.328 -1.024 17.651 1.00 10.00 H new ATOM 0 HH TYR A 48 -5.407 -2.888 17.113 1.00 10.00 H new ATOM 734 N THR A 49 -0.292 3.081 12.554 1.00 10.00 N ATOM 735 CA THR A 49 0.550 4.222 12.224 1.00 10.00 C ATOM 736 C THR A 49 -0.148 5.532 12.611 1.00 10.00 C ATOM 737 O THR A 49 0.275 6.598 12.171 1.00 10.00 O ATOM 738 CB THR A 49 0.908 4.213 10.724 1.00 10.00 C ATOM 739 OG1 THR A 49 0.945 2.891 10.217 1.00 10.00 O ATOM 740 CG2 THR A 49 2.270 4.868 10.472 1.00 10.00 C ATOM 0 H THR A 49 -1.159 3.035 12.019 1.00 10.00 H new ATOM 0 HA THR A 49 1.476 4.148 12.794 1.00 10.00 H new ATOM 0 HB THR A 49 0.132 4.782 10.212 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.325 2.898 9.314 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.493 4.846 9.405 1.00 10.00 H new ATOM 0 HG22 THR A 49 2.246 5.902 10.816 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.042 4.323 11.015 1.00 10.00 H new ATOM 748 N ASP A 50 -1.244 5.447 13.378 1.00 10.00 N ATOM 749 CA ASP A 50 -2.047 6.559 13.878 1.00 10.00 C ATOM 750 C ASP A 50 -2.748 7.309 12.746 1.00 10.00 C ATOM 751 O ASP A 50 -3.969 7.258 12.634 1.00 10.00 O ATOM 752 CB ASP A 50 -1.228 7.484 14.788 1.00 10.00 C ATOM 753 CG ASP A 50 -0.523 6.705 15.888 1.00 10.00 C ATOM 754 OD1 ASP A 50 -1.253 6.074 16.682 1.00 10.00 O ATOM 755 OD2 ASP A 50 0.725 6.736 15.895 1.00 10.00 O ATOM 0 H ASP A 50 -1.611 4.545 13.681 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.838 6.139 14.499 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.491 8.022 14.192 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.884 8.231 15.234 1.00 10.00 H new ATOM 760 N ALA A 51 -1.985 7.979 11.883 1.00 10.00 N ATOM 761 CA ALA A 51 -2.469 8.681 10.703 1.00 10.00 C ATOM 762 C ALA A 51 -3.377 7.784 9.860 1.00 10.00 C ATOM 763 O ALA A 51 -4.455 8.200 9.438 1.00 10.00 O ATOM 764 CB ALA A 51 -1.268 9.161 9.883 1.00 10.00 C ATOM 0 H ALA A 51 -0.973 8.048 11.994 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.063 9.539 11.017 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.620 9.688 8.996 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.660 9.834 10.488 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.668 8.303 9.580 1.00 10.00 H new ATOM 770 N ASN A 52 -2.945 6.543 9.613 1.00 10.00 N ATOM 771 CA ASN A 52 -3.760 5.560 8.911 1.00 10.00 C ATOM 772 C ASN A 52 -5.041 5.263 9.698 1.00 10.00 C ATOM 773 O ASN A 52 -6.134 5.257 9.143 1.00 10.00 O ATOM 774 CB ASN A 52 -2.954 4.296 8.559 1.00 10.00 C ATOM 775 CG ASN A 52 -2.485 3.455 9.748 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.436 3.914 10.887 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.122 2.203 9.489 1.00 10.00 N ATOM 0 H ASN A 52 -2.027 6.199 9.894 1.00 10.00 H new ATOM 0 HA ASN A 52 -4.068 5.984 7.955 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -3.564 3.667 7.911 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.079 4.595 7.981 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -1.794 1.601 10.244 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.171 1.845 8.535 1.00 10.00 H new ATOM 784 N LYS A 53 -4.932 5.045 11.004 1.00 10.00 N ATOM 785 CA LYS A 53 -6.071 4.745 11.861 1.00 10.00 C ATOM 786 C LYS A 53 -7.078 5.892 11.883 1.00 10.00 C ATOM 787 O LYS A 53 -8.283 5.660 11.957 1.00 10.00 O ATOM 788 CB LYS A 53 -5.544 4.379 13.255 1.00 10.00 C ATOM 789 CG LYS A 53 -6.460 3.428 14.038 1.00 10.00 C ATOM 790 CD LYS A 53 -7.339 4.176 15.046 1.00 10.00 C ATOM 791 CE LYS A 53 -8.067 3.153 15.929 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.949 3.800 16.922 1.00 10.00 N ATOM 0 H LYS A 53 -4.042 5.072 11.501 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.623 3.893 11.465 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.562 3.918 13.151 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.408 5.293 13.832 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.094 2.880 13.341 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -5.853 2.691 14.564 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.728 4.837 15.661 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -8.061 4.804 14.523 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -8.658 2.488 15.300 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -7.333 2.534 16.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -9.420 3.071 17.495 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.383 4.415 17.541 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -9.666 4.370 16.430 1.00 10.00 H new ATOM 806 N ASN A 54 -6.585 7.124 11.783 1.00 10.00 N ATOM 807 CA ASN A 54 -7.406 8.320 11.707 1.00 10.00 C ATOM 808 C ASN A 54 -8.056 8.486 10.329 1.00 10.00 C ATOM 809 O ASN A 54 -8.882 9.375 10.149 1.00 10.00 O ATOM 810 CB ASN A 54 -6.541 9.539 12.059 1.00 10.00 C ATOM 811 CG ASN A 54 -7.352 10.589 12.803 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.646 11.661 12.286 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.697 10.285 14.052 1.00 10.00 N ATOM 0 H ASN A 54 -5.584 7.318 11.752 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.223 8.229 12.423 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.697 9.225 12.673 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.129 9.972 11.147 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.224 10.954 14.613 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.434 9.383 14.448 1.00 10.00 H new ATOM 820 N LYS A 55 -7.674 7.661 9.347 1.00 10.00 N ATOM 821 CA LYS A 55 -8.113 7.796 7.968 1.00 10.00 C ATOM 822 C LYS A 55 -9.507 7.207 7.791 1.00 10.00 C ATOM 823 O LYS A 55 -10.433 7.894 7.373 1.00 10.00 O ATOM 824 CB LYS A 55 -7.078 7.120 7.067 1.00 10.00 C ATOM 825 CG LYS A 55 -7.129 7.691 5.650 1.00 10.00 C ATOM 826 CD LYS A 55 -5.822 7.385 4.899 1.00 10.00 C ATOM 827 CE LYS A 55 -4.610 8.183 5.410 1.00 10.00 C ATOM 828 NZ LYS A 55 -4.810 9.641 5.293 1.00 10.00 N ATOM 0 H LYS A 55 -7.043 6.874 9.498 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.186 8.847 7.690 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.081 7.260 7.484 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.263 6.046 7.037 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.974 7.264 5.110 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.288 8.769 5.691 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.606 6.320 4.984 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.965 7.598 3.839 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.422 7.927 6.453 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.723 7.894 4.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -4.084 10.042 4.665 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.753 9.831 4.898 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.734 10.078 6.234 1.00 10.00 H new ATOM 842 N GLY A 56 -9.643 5.918 8.100 1.00 10.00 N ATOM 843 CA GLY A 56 -10.920 5.233 8.105 1.00 10.00 C ATOM 844 C GLY A 56 -11.456 5.017 6.693 1.00 10.00 C ATOM 845 O GLY A 56 -12.612 5.332 6.415 1.00 10.00 O ATOM 0 H GLY A 56 -8.857 5.320 8.356 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.813 4.270 8.604 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.641 5.813 8.682 1.00 10.00 H new ATOM 849 N ILE A 57 -10.634 4.438 5.812 1.00 10.00 N ATOM 850 CA ILE A 57 -11.010 4.146 4.427 1.00 10.00 C ATOM 851 C ILE A 57 -10.689 2.701 4.065 1.00 10.00 C ATOM 852 O ILE A 57 -10.082 1.985 4.858 1.00 10.00 O ATOM 853 CB ILE A 57 -10.354 5.136 3.449 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.823 5.093 3.504 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.899 6.549 3.645 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.203 6.154 2.595 1.00 10.00 C ATOM 0 H ILE A 57 -9.681 4.157 6.043 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.089 4.273 4.340 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.625 4.817 2.443 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.490 5.250 4.530 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.474 4.105 3.203 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.417 7.226 2.940 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.975 6.551 3.472 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.695 6.880 4.663 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.116 6.097 2.657 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.517 5.980 1.566 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.533 7.143 2.913 1.00 10.00 H new ATOM 868 N THR A 58 -11.143 2.280 2.884 1.00 10.00 N ATOM 869 CA THR A 58 -10.995 0.950 2.320 1.00 10.00 C ATOM 870 C THR A 58 -9.833 0.931 1.324 1.00 10.00 C ATOM 871 O THR A 58 -9.245 1.971 1.028 1.00 10.00 O ATOM 872 CB THR A 58 -12.317 0.618 1.613 1.00 10.00 C ATOM 873 OG1 THR A 58 -12.701 1.721 0.815 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.422 0.355 2.639 1.00 10.00 C ATOM 0 H THR A 58 -11.656 2.904 2.261 1.00 10.00 H new ATOM 0 HA THR A 58 -10.777 0.214 3.094 1.00 10.00 H new ATOM 0 HB THR A 58 -12.174 -0.272 1.001 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.544 1.517 0.358 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.352 0.121 2.120 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.138 -0.486 3.272 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.564 1.242 3.256 1.00 10.00 H new ATOM 882 N TRP A 59 -9.549 -0.246 0.761 1.00 10.00 N ATOM 883 CA TRP A 59 -8.476 -0.445 -0.196 1.00 10.00 C ATOM 884 C TRP A 59 -8.950 -1.351 -1.325 1.00 10.00 C ATOM 885 O TRP A 59 -8.652 -2.540 -1.347 1.00 10.00 O ATOM 886 CB TRP A 59 -7.296 -1.051 0.546 1.00 10.00 C ATOM 887 CG TRP A 59 -6.783 -0.216 1.670 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.884 -0.519 2.982 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.064 1.049 1.596 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.136 0.385 3.708 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.615 1.385 2.904 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.734 1.939 0.551 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.832 2.525 3.153 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.991 3.109 0.801 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.546 3.405 2.100 1.00 10.00 C ATOM 0 H TRP A 59 -10.072 -1.098 0.966 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.173 0.501 -0.645 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.589 -2.025 0.937 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.486 -1.223 -0.163 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.457 -1.336 3.396 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.985 0.324 4.715 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.056 1.719 -0.456 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.454 2.721 4.146 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.762 3.783 -0.011 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.985 4.309 2.287 1.00 10.00 H new ATOM 906 N LYS A 60 -9.717 -0.779 -2.251 1.00 10.00 N ATOM 907 CA LYS A 60 -10.237 -1.513 -3.399 1.00 10.00 C ATOM 908 C LYS A 60 -9.347 -1.338 -4.621 1.00 10.00 C ATOM 909 O LYS A 60 -9.106 -2.301 -5.337 1.00 10.00 O ATOM 910 CB LYS A 60 -11.687 -1.120 -3.703 1.00 10.00 C ATOM 911 CG LYS A 60 -11.975 0.389 -3.705 1.00 10.00 C ATOM 912 CD LYS A 60 -13.361 0.627 -4.316 1.00 10.00 C ATOM 913 CE LYS A 60 -13.973 1.926 -3.776 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.325 2.168 -4.314 1.00 10.00 N ATOM 0 H LYS A 60 -9.994 0.202 -2.226 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.231 -2.572 -3.140 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.959 -1.526 -4.678 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.336 -1.595 -2.968 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.938 0.782 -2.689 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.214 0.918 -4.279 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.282 0.680 -5.402 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.016 -0.213 -4.085 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.019 1.880 -2.688 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.326 2.765 -4.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.320 3.034 -4.890 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.613 1.362 -4.904 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.997 2.279 -3.528 1.00 10.00 H new ATOM 928 N GLU A 61 -8.917 -0.098 -4.863 1.00 10.00 N ATOM 929 CA GLU A 61 -8.206 0.370 -6.042 1.00 10.00 C ATOM 930 C GLU A 61 -8.326 1.892 -6.083 1.00 10.00 C ATOM 931 O GLU A 61 -7.331 2.555 -5.847 1.00 10.00 O ATOM 932 CB GLU A 61 -8.631 -0.321 -7.348 1.00 10.00 C ATOM 933 CG GLU A 61 -10.148 -0.514 -7.526 1.00 10.00 C ATOM 934 CD GLU A 61 -10.721 0.368 -8.612 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.751 -0.086 -9.773 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.121 1.484 -8.223 1.00 10.00 O ATOM 0 H GLU A 61 -9.070 0.653 -4.190 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.156 0.090 -5.960 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.255 0.263 -8.188 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.149 -1.297 -7.397 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.353 -1.558 -7.765 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.651 -0.298 -6.584 1.00 10.00 H new ATOM 943 N GLU A 62 -9.523 2.444 -6.289 1.00 10.00 N ATOM 944 CA GLU A 62 -9.823 3.876 -6.351 1.00 10.00 C ATOM 945 C GLU A 62 -8.988 4.746 -5.393 1.00 10.00 C ATOM 946 O GLU A 62 -8.148 5.527 -5.834 1.00 10.00 O ATOM 947 CB GLU A 62 -11.332 4.038 -6.089 1.00 10.00 C ATOM 948 CG GLU A 62 -11.938 5.319 -6.667 1.00 10.00 C ATOM 949 CD GLU A 62 -13.279 5.640 -6.007 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.942 4.684 -5.528 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.609 6.843 -5.972 1.00 10.00 O ATOM 0 H GLU A 62 -10.356 1.872 -6.425 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.547 4.241 -7.340 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.856 3.180 -6.510 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.506 4.021 -5.013 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.248 6.150 -6.519 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.076 5.207 -7.742 1.00 10.00 H new ATOM 958 N THR A 63 -9.196 4.630 -4.076 1.00 10.00 N ATOM 959 CA THR A 63 -8.405 5.383 -3.113 1.00 10.00 C ATOM 960 C THR A 63 -6.919 5.092 -3.324 1.00 10.00 C ATOM 961 O THR A 63 -6.108 6.007 -3.422 1.00 10.00 O ATOM 962 CB THR A 63 -8.851 5.029 -1.687 1.00 10.00 C ATOM 963 OG1 THR A 63 -10.202 5.398 -1.508 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.970 5.671 -0.618 1.00 10.00 C ATOM 0 H THR A 63 -9.903 4.023 -3.661 1.00 10.00 H new ATOM 0 HA THR A 63 -8.562 6.451 -3.260 1.00 10.00 H new ATOM 0 HB THR A 63 -8.745 3.951 -1.567 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.486 5.170 -0.598 1.00 10.00 H new ATOM 0 HG21 THR A 63 -8.331 5.387 0.370 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.942 5.330 -0.741 1.00 10.00 H new ATOM 0 HG23 THR A 63 -8.007 6.756 -0.719 1.00 10.00 H new ATOM 972 N LEU A 64 -6.569 3.807 -3.355 1.00 10.00 N ATOM 973 CA LEU A 64 -5.210 3.311 -3.432 1.00 10.00 C ATOM 974 C LEU A 64 -4.440 3.961 -4.586 1.00 10.00 C ATOM 975 O LEU A 64 -3.332 4.448 -4.393 1.00 10.00 O ATOM 976 CB LEU A 64 -5.282 1.779 -3.528 1.00 10.00 C ATOM 977 CG LEU A 64 -4.154 1.082 -2.778 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.506 -0.395 -2.572 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.800 1.283 -3.461 1.00 10.00 C ATOM 0 H LEU A 64 -7.260 3.057 -3.326 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.645 3.581 -2.539 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.239 1.440 -3.131 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -5.250 1.484 -4.577 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.050 1.540 -1.795 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -3.697 -0.890 -2.035 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.426 -0.472 -1.993 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.645 -0.874 -3.541 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.025 0.769 -2.892 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.838 0.876 -4.471 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.570 2.348 -3.507 1.00 10.00 H new ATOM 991 N MET A 65 -5.044 4.016 -5.771 1.00 10.00 N ATOM 992 CA MET A 65 -4.552 4.726 -6.933 1.00 10.00 C ATOM 993 C MET A 65 -4.078 6.122 -6.526 1.00 10.00 C ATOM 994 O MET A 65 -2.921 6.470 -6.757 1.00 10.00 O ATOM 995 CB MET A 65 -5.664 4.781 -7.998 1.00 10.00 C ATOM 996 CG MET A 65 -5.656 3.595 -8.973 1.00 10.00 C ATOM 997 SD MET A 65 -6.371 3.983 -10.593 1.00 10.00 S ATOM 998 CE MET A 65 -5.049 5.001 -11.293 1.00 10.00 C ATOM 0 H MET A 65 -5.930 3.543 -5.948 1.00 10.00 H new ATOM 0 HA MET A 65 -3.697 4.205 -7.363 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.631 4.819 -7.497 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.563 5.706 -8.566 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.629 3.255 -9.110 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.209 2.767 -8.530 1.00 10.00 H new ATOM 0 HE1 MET A 65 -5.480 5.885 -11.763 1.00 10.00 H new ATOM 0 HE2 MET A 65 -4.368 5.308 -10.500 1.00 10.00 H new ATOM 0 HE3 MET A 65 -4.501 4.424 -12.038 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.932 6.911 -5.876 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.549 8.260 -5.503 1.00 10.00 C ATOM 1010 C GLU A 66 -3.476 8.199 -4.422 1.00 10.00 C ATOM 1011 O GLU A 66 -2.472 8.892 -4.504 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.769 9.055 -5.043 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.660 9.491 -6.215 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.824 11.009 -6.245 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -5.778 11.697 -6.193 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -7.990 11.453 -6.278 1.00 10.00 O ATOM 0 H GLU A 66 -5.877 6.640 -5.603 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.136 8.777 -6.370 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.354 8.449 -4.351 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.439 9.937 -4.494 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.224 9.151 -7.154 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.638 9.018 -6.128 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.651 7.338 -3.423 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.697 7.154 -2.342 1.00 10.00 C ATOM 1025 C TYR A 67 -1.274 6.988 -2.892 1.00 10.00 C ATOM 1026 O TYR A 67 -0.355 7.689 -2.473 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.144 5.954 -1.499 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.496 5.850 -0.128 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.618 6.907 0.793 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.786 4.688 0.235 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.998 6.819 2.052 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.191 4.591 1.506 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.293 5.660 2.412 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.716 5.585 3.644 1.00 10.00 O ATOM 0 H TYR A 67 -4.474 6.741 -3.344 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.673 8.037 -1.704 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.225 6.004 -1.370 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.931 5.041 -2.054 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -3.188 7.786 0.533 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.698 3.870 -0.464 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.064 7.646 2.744 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.656 3.695 1.785 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.266 4.720 3.742 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.097 6.093 -3.868 1.00 10.00 N ATOM 1045 CA LEU A 68 0.195 5.887 -4.511 1.00 10.00 C ATOM 1046 C LEU A 68 0.558 7.029 -5.465 1.00 10.00 C ATOM 1047 O LEU A 68 1.739 7.200 -5.770 1.00 10.00 O ATOM 1048 CB LEU A 68 0.239 4.557 -5.277 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.188 3.324 -4.476 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.060 2.066 -5.313 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.477 3.211 -3.100 1.00 10.00 C ATOM 0 H LEU A 68 -1.842 5.497 -4.229 1.00 10.00 H new ATOM 0 HA LEU A 68 0.929 5.863 -3.706 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.404 4.640 -6.153 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.255 4.400 -5.640 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.252 3.433 -4.267 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.243 1.186 -4.746 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.520 2.122 -6.234 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.120 1.994 -5.556 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.122 2.312 -2.597 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.559 3.155 -3.222 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.224 4.086 -2.501 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.419 7.737 -6.043 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.172 8.871 -6.939 1.00 10.00 C ATOM 1065 C GLU A 69 0.043 10.179 -6.172 1.00 10.00 C ATOM 1066 O GLU A 69 0.409 11.196 -6.755 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.279 8.973 -8.006 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.744 9.494 -9.356 1.00 10.00 C ATOM 1069 CD GLU A 69 -1.595 10.554 -10.042 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -2.388 11.222 -9.350 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -1.411 10.662 -11.275 1.00 10.00 O ATOM 0 H GLU A 69 -1.409 7.538 -5.901 1.00 10.00 H new ATOM 0 HA GLU A 69 0.765 8.687 -7.465 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.732 7.992 -8.151 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -2.065 9.638 -7.648 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.253 9.903 -9.196 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.636 8.647 -10.034 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.161 10.156 -4.857 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.245 11.353 -4.047 1.00 10.00 C ATOM 1080 C ASN A 70 0.004 10.962 -2.585 1.00 10.00 C ATOM 1081 O ASN A 70 -0.844 11.185 -1.718 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.631 11.983 -4.306 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.588 13.266 -5.127 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.683 14.084 -4.980 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.595 13.478 -5.971 1.00 10.00 N ATOM 0 H ASN A 70 -0.273 9.293 -4.325 1.00 10.00 H new ATOM 0 HA ASN A 70 0.507 12.101 -4.298 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.258 11.256 -4.821 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.107 12.193 -3.348 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.630 14.339 -6.518 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.332 12.780 -6.071 1.00 10.00 H new ATOM 1092 N PRO A 71 1.189 10.400 -2.274 1.00 10.00 N ATOM 1093 CA PRO A 71 1.516 10.002 -0.917 1.00 10.00 C ATOM 1094 C PRO A 71 1.500 11.221 0.000 1.00 10.00 C ATOM 1095 O PRO A 71 1.053 11.125 1.142 1.00 10.00 O ATOM 1096 CB PRO A 71 2.893 9.330 -0.985 1.00 10.00 C ATOM 1097 CG PRO A 71 3.519 9.865 -2.273 1.00 10.00 C ATOM 1098 CD PRO A 71 2.315 10.167 -3.169 1.00 10.00 C ATOM 0 HA PRO A 71 0.789 9.304 -0.502 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.500 9.581 -0.115 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.804 8.244 -1.009 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.113 10.760 -2.087 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.183 9.131 -2.730 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.504 11.041 -3.793 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.112 9.334 -3.841 1.00 10.00 H new ATOM 1106 N LYS A 72 1.966 12.370 -0.512 1.00 10.00 N ATOM 1107 CA LYS A 72 1.982 13.620 0.224 1.00 10.00 C ATOM 1108 C LYS A 72 0.806 14.523 -0.151 1.00 10.00 C ATOM 1109 O LYS A 72 1.000 15.654 -0.596 1.00 10.00 O ATOM 1110 CB LYS A 72 3.324 14.348 0.055 1.00 10.00 C ATOM 1111 CG LYS A 72 3.788 14.734 -1.366 1.00 10.00 C ATOM 1112 CD LYS A 72 4.449 13.570 -2.125 1.00 10.00 C ATOM 1113 CE LYS A 72 5.646 14.012 -2.982 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.244 14.800 -4.165 1.00 10.00 N ATOM 0 H LYS A 72 2.343 12.447 -1.457 1.00 10.00 H new ATOM 0 HA LYS A 72 1.867 13.372 1.279 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.280 15.262 0.647 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.098 13.719 0.495 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.931 15.091 -1.937 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.493 15.562 -1.298 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.781 12.818 -1.408 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.707 13.094 -2.766 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.326 14.605 -2.370 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.198 13.131 -3.309 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.090 15.071 -4.706 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.617 14.228 -4.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.741 15.657 -3.857 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.418 14.032 0.024 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.611 14.815 -0.271 1.00 10.00 C ATOM 1130 C LYS A 73 -2.705 14.479 0.739 1.00 10.00 C ATOM 1131 O LYS A 73 -3.253 15.372 1.377 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.043 14.569 -1.726 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.596 15.827 -2.412 1.00 10.00 C ATOM 1134 CD LYS A 73 -1.462 16.747 -2.901 1.00 10.00 C ATOM 1135 CE LYS A 73 -2.008 17.989 -3.626 1.00 10.00 C ATOM 1136 NZ LYS A 73 -2.075 19.175 -2.747 1.00 10.00 N ATOM 0 H LYS A 73 -0.608 13.092 0.370 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.403 15.881 -0.176 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.190 14.198 -2.294 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.803 13.788 -1.746 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -3.221 15.537 -3.257 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -3.234 16.372 -1.716 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -0.855 17.059 -2.051 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -0.808 16.192 -3.573 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -1.374 18.212 -4.484 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.003 17.771 -4.013 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -2.449 19.984 -3.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -2.701 18.975 -1.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -1.122 19.402 -2.397 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.992 13.184 0.901 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.985 12.692 1.847 1.00 10.00 C ATOM 1152 C TYR A 74 -3.717 13.181 3.272 1.00 10.00 C ATOM 1153 O TYR A 74 -4.589 13.779 3.895 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.999 11.159 1.828 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.978 10.549 0.852 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.653 10.454 -0.511 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.209 10.048 1.317 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.544 9.829 -1.397 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.092 9.413 0.430 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.766 9.314 -0.932 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.642 8.716 -1.786 1.00 10.00 O ATOM 0 H TYR A 74 -2.533 12.443 0.371 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.954 13.084 1.539 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -2.997 10.803 1.587 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.233 10.799 2.830 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.721 10.860 -0.876 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.474 10.153 2.359 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -5.289 9.743 -2.443 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.021 9.001 0.795 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.552 9.113 -2.678 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.546 12.843 3.822 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.165 13.226 5.175 1.00 10.00 C ATOM 1173 C ILE A 75 -0.652 13.457 5.211 1.00 10.00 C ATOM 1174 O ILE A 75 0.104 12.544 4.882 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.648 12.177 6.199 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.437 12.672 7.642 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.009 10.788 6.027 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.636 12.337 8.533 1.00 10.00 C ATOM 0 H ILE A 75 -1.837 12.294 3.335 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.652 14.158 5.460 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.713 12.056 6.000 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.537 12.217 8.056 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -2.276 13.750 7.638 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.402 10.110 6.785 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.244 10.399 5.036 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.928 10.869 6.138 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.451 12.701 9.544 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.531 12.814 8.133 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -3.781 11.257 8.558 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.174 14.657 5.571 1.00 10.00 N ATOM 1191 CA PRO A 76 1.252 14.929 5.632 1.00 10.00 C ATOM 1192 C PRO A 76 1.862 14.339 6.915 1.00 10.00 C ATOM 1193 O PRO A 76 2.381 15.067 7.755 1.00 10.00 O ATOM 1194 CB PRO A 76 1.365 16.454 5.518 1.00 10.00 C ATOM 1195 CG PRO A 76 0.059 16.966 6.124 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.952 15.867 5.796 1.00 10.00 C ATOM 0 HA PRO A 76 1.822 14.457 4.832 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.232 16.832 6.060 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.475 16.770 4.481 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.150 17.118 7.200 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.235 17.922 5.691 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.658 15.730 6.615 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.535 16.125 4.912 1.00 10.00 H new ATOM 1204 N GLY A 77 1.827 13.008 7.049 1.00 10.00 N ATOM 1205 CA GLY A 77 2.529 12.282 8.108 1.00 10.00 C ATOM 1206 C GLY A 77 2.555 10.783 7.806 1.00 10.00 C ATOM 1207 O GLY A 77 2.373 9.970 8.706 1.00 10.00 O ATOM 0 H GLY A 77 1.305 12.401 6.418 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.548 12.658 8.200 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.037 12.457 9.065 1.00 10.00 H new ATOM 1211 N THR A 78 2.780 10.428 6.537 1.00 10.00 N ATOM 1212 CA THR A 78 2.852 9.044 6.081 1.00 10.00 C ATOM 1213 C THR A 78 4.304 8.574 6.124 1.00 10.00 C ATOM 1214 O THR A 78 4.646 7.666 6.876 1.00 10.00 O ATOM 1215 CB THR A 78 2.218 8.944 4.681 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.947 9.560 4.704 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.053 7.495 4.219 1.00 10.00 C ATOM 0 H THR A 78 2.919 11.108 5.789 1.00 10.00 H new ATOM 0 HA THR A 78 2.287 8.380 6.736 1.00 10.00 H new ATOM 0 HB THR A 78 2.887 9.445 3.981 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.055 10.534 4.672 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.602 7.479 3.227 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.029 7.012 4.182 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.410 6.961 4.919 1.00 10.00 H new ATOM 1225 N LYS A 79 5.165 9.206 5.317 1.00 10.00 N ATOM 1226 CA LYS A 79 6.594 8.926 5.259 1.00 10.00 C ATOM 1227 C LYS A 79 7.277 9.839 4.246 1.00 10.00 C ATOM 1228 O LYS A 79 8.249 10.501 4.593 1.00 10.00 O ATOM 1229 CB LYS A 79 6.884 7.439 4.993 1.00 10.00 C ATOM 1230 CG LYS A 79 6.115 6.792 3.826 1.00 10.00 C ATOM 1231 CD LYS A 79 5.355 5.518 4.220 1.00 10.00 C ATOM 1232 CE LYS A 79 6.229 4.352 4.690 1.00 10.00 C ATOM 1233 NZ LYS A 79 6.528 4.416 6.133 1.00 10.00 N ATOM 0 H LYS A 79 4.875 9.942 4.674 1.00 10.00 H new ATOM 0 HA LYS A 79 7.017 9.142 6.240 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.951 7.327 4.803 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.662 6.879 5.901 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.408 7.516 3.422 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.817 6.553 3.027 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.651 5.766 5.015 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.766 5.187 3.365 1.00 10.00 H new ATOM 0 HE2 LYS A 79 5.725 3.412 4.468 1.00 10.00 H new ATOM 0 HE3 LYS A 79 7.163 4.353 4.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 6.799 3.471 6.474 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 7.311 5.080 6.296 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 5.685 4.741 6.648 1.00 10.00 H new ATOM 1247 N MET A 80 6.731 9.886 3.022 1.00 10.00 N ATOM 1248 CA MET A 80 7.248 10.635 1.882 1.00 10.00 C ATOM 1249 C MET A 80 8.568 10.049 1.383 1.00 10.00 C ATOM 1250 O MET A 80 9.515 9.924 2.152 1.00 10.00 O ATOM 1251 CB MET A 80 7.391 12.134 2.200 1.00 10.00 C ATOM 1252 CG MET A 80 6.324 12.936 1.469 1.00 10.00 C ATOM 1253 SD MET A 80 6.283 14.699 1.882 1.00 10.00 S ATOM 1254 CE MET A 80 5.274 14.639 3.379 1.00 10.00 C ATOM 0 H MET A 80 5.877 9.377 2.796 1.00 10.00 H new ATOM 0 HA MET A 80 6.517 10.542 1.079 1.00 10.00 H new ATOM 0 HB2 MET A 80 7.303 12.294 3.275 1.00 10.00 H new ATOM 0 HB3 MET A 80 8.381 12.482 1.906 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.483 12.832 0.396 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.349 12.503 1.690 1.00 10.00 H new ATOM 0 HE1 MET A 80 5.146 15.648 3.772 1.00 10.00 H new ATOM 0 HE2 MET A 80 4.298 14.215 3.143 1.00 10.00 H new ATOM 0 HE3 MET A 80 5.768 14.019 4.126 1.00 10.00 H new ATOM 1264 N ILE A 81 8.639 9.707 0.089 1.00 10.00 N ATOM 1265 CA ILE A 81 9.899 9.280 -0.509 1.00 10.00 C ATOM 1266 C ILE A 81 10.087 9.738 -1.955 1.00 10.00 C ATOM 1267 O ILE A 81 11.189 10.118 -2.339 1.00 10.00 O ATOM 1268 CB ILE A 81 10.123 7.749 -0.371 1.00 10.00 C ATOM 1269 CG1 ILE A 81 9.100 6.961 -1.214 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.146 7.265 1.086 1.00 10.00 C ATOM 1271 CD1 ILE A 81 9.007 5.464 -0.898 1.00 10.00 C ATOM 0 H ILE A 81 7.846 9.719 -0.552 1.00 10.00 H new ATOM 0 HA ILE A 81 10.670 9.788 0.069 1.00 10.00 H new ATOM 0 HB ILE A 81 11.119 7.549 -0.765 1.00 10.00 H new ATOM 0 HG12 ILE A 81 8.116 7.408 -1.072 1.00 10.00 H new ATOM 0 HG13 ILE A 81 9.354 7.078 -2.267 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.306 6.187 1.109 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.954 7.763 1.622 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.194 7.501 1.563 1.00 10.00 H new ATOM 0 HD11 ILE A 81 8.261 5.001 -1.544 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.976 4.995 -1.069 1.00 10.00 H new ATOM 0 HD13 ILE A 81 8.718 5.329 0.144 1.00 10.00 H new ATOM 1283 N PHE A 82 9.035 9.691 -2.775 1.00 10.00 N ATOM 1284 CA PHE A 82 9.104 10.069 -4.177 1.00 10.00 C ATOM 1285 C PHE A 82 7.706 10.463 -4.642 1.00 10.00 C ATOM 1286 O PHE A 82 6.780 10.495 -3.830 1.00 10.00 O ATOM 1287 CB PHE A 82 9.735 8.945 -5.024 1.00 10.00 C ATOM 1288 CG PHE A 82 8.858 7.769 -5.443 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.877 7.229 -4.587 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.107 7.143 -6.679 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.191 6.054 -4.941 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.411 5.977 -7.039 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.456 5.426 -6.168 1.00 10.00 C ATOM 0 H PHE A 82 8.108 9.387 -2.477 1.00 10.00 H new ATOM 0 HA PHE A 82 9.759 10.931 -4.307 1.00 10.00 H new ATOM 0 HB2 PHE A 82 10.136 9.399 -5.930 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.581 8.545 -4.466 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.651 7.721 -3.653 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.838 7.562 -7.355 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.459 5.634 -4.268 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.611 5.503 -7.988 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.929 4.524 -6.441 1.00 10.00 H new ATOM 1303 N ALA A 83 7.559 10.763 -5.934 1.00 10.00 N ATOM 1304 CA ALA A 83 6.268 11.049 -6.541 1.00 10.00 C ATOM 1305 C ALA A 83 5.298 9.892 -6.309 1.00 10.00 C ATOM 1306 O ALA A 83 4.259 10.076 -5.678 1.00 10.00 O ATOM 1307 CB ALA A 83 6.447 11.334 -8.039 1.00 10.00 C ATOM 0 H ALA A 83 8.340 10.813 -6.588 1.00 10.00 H new ATOM 0 HA ALA A 83 5.842 11.936 -6.072 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.477 11.547 -8.487 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.104 12.194 -8.170 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.888 10.463 -8.525 1.00 10.00 H new ATOM 1313 N GLY A 84 5.623 8.715 -6.843 1.00 10.00 N ATOM 1314 CA GLY A 84 4.714 7.589 -6.860 1.00 10.00 C ATOM 1315 C GLY A 84 5.096 6.644 -7.991 1.00 10.00 C ATOM 1316 O GLY A 84 6.110 6.839 -8.659 1.00 10.00 O ATOM 0 H GLY A 84 6.527 8.524 -7.274 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.751 7.064 -5.905 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.690 7.937 -6.993 1.00 10.00 H new ATOM 1320 N ILE A 85 4.256 5.633 -8.224 1.00 10.00 N ATOM 1321 CA ILE A 85 4.356 4.740 -9.366 1.00 10.00 C ATOM 1322 C ILE A 85 4.469 5.540 -10.661 1.00 10.00 C ATOM 1323 O ILE A 85 4.022 6.687 -10.723 1.00 10.00 O ATOM 1324 CB ILE A 85 3.133 3.802 -9.366 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.457 2.470 -8.709 1.00 10.00 C ATOM 1326 CG2 ILE A 85 2.454 3.601 -10.724 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.037 1.473 -9.710 1.00 10.00 C ATOM 0 H ILE A 85 3.474 5.413 -7.608 1.00 10.00 H new ATOM 0 HA ILE A 85 5.259 4.133 -9.294 1.00 10.00 H new ATOM 0 HB ILE A 85 2.390 4.328 -8.767 1.00 10.00 H new ATOM 0 HG12 ILE A 85 4.168 2.628 -7.898 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.553 2.054 -8.264 1.00 10.00 H new ATOM 0 HG21 ILE A 85 1.607 2.925 -10.611 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.103 4.562 -11.101 1.00 10.00 H new ATOM 0 HG23 ILE A 85 3.168 3.174 -11.428 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.256 0.533 -9.203 1.00 10.00 H new ATOM 0 HD12 ILE A 85 3.315 1.296 -10.507 1.00 10.00 H new ATOM 0 HD13 ILE A 85 4.955 1.877 -10.136 1.00 10.00 H new ATOM 1339 N LYS A 86 5.029 4.881 -11.683 1.00 10.00 N ATOM 1340 CA LYS A 86 5.302 5.424 -13.004 1.00 10.00 C ATOM 1341 C LYS A 86 4.187 6.364 -13.481 1.00 10.00 C ATOM 1342 O LYS A 86 4.477 7.482 -13.894 1.00 10.00 O ATOM 1343 CB LYS A 86 5.545 4.295 -14.024 1.00 10.00 C ATOM 1344 CG LYS A 86 6.461 3.157 -13.530 1.00 10.00 C ATOM 1345 CD LYS A 86 7.146 2.435 -14.714 1.00 10.00 C ATOM 1346 CE LYS A 86 7.247 0.897 -14.602 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.582 0.367 -14.968 1.00 10.00 N ATOM 0 H LYS A 86 5.316 3.906 -11.599 1.00 10.00 H new ATOM 0 HA LYS A 86 6.213 6.018 -12.926 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.583 3.869 -14.308 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.981 4.727 -14.925 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.219 3.562 -12.860 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.876 2.441 -12.953 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.601 2.678 -15.626 1.00 10.00 H new ATOM 0 HD3 LYS A 86 8.152 2.838 -14.827 1.00 10.00 H new ATOM 0 HE2 LYS A 86 7.013 0.598 -13.580 1.00 10.00 H new ATOM 0 HE3 LYS A 86 6.495 0.443 -15.247 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 8.583 -0.669 -14.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.799 0.623 -15.952 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.302 0.774 -14.337 1.00 10.00 H new ATOM 1361 N LYS A 87 2.929 5.903 -13.427 1.00 10.00 N ATOM 1362 CA LYS A 87 1.727 6.640 -13.778 1.00 10.00 C ATOM 1363 C LYS A 87 0.499 5.765 -13.480 1.00 10.00 C ATOM 1364 O LYS A 87 0.626 4.640 -12.997 1.00 10.00 O ATOM 1365 CB LYS A 87 1.768 7.068 -15.250 1.00 10.00 C ATOM 1366 CG LYS A 87 1.636 5.866 -16.186 1.00 10.00 C ATOM 1367 CD LYS A 87 2.442 5.991 -17.481 1.00 10.00 C ATOM 1368 CE LYS A 87 3.954 5.927 -17.206 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.659 5.082 -18.191 1.00 10.00 N ATOM 0 H LYS A 87 2.722 4.953 -13.119 1.00 10.00 H new ATOM 0 HA LYS A 87 1.664 7.549 -13.180 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.962 7.775 -15.447 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.704 7.588 -15.453 1.00 10.00 H new ATOM 0 HG2 LYS A 87 1.957 4.969 -15.656 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.584 5.728 -16.437 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.160 5.191 -18.166 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.199 6.933 -17.974 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.370 6.934 -17.229 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.124 5.534 -16.203 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.624 5.443 -18.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.702 4.104 -17.841 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.148 5.104 -19.096 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.688 6.285 -13.791 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.975 5.643 -13.551 1.00 10.00 C ATOM 1385 C LYS A 88 -2.046 4.239 -14.162 1.00 10.00 C ATOM 1386 O LYS A 88 -2.501 3.298 -13.517 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.116 6.568 -14.009 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.019 7.129 -15.441 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.112 6.550 -16.350 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.095 7.259 -17.713 1.00 10.00 C ATOM 1391 NZ LYS A 88 -5.159 6.767 -18.613 1.00 10.00 N ATOM 0 H LYS A 88 -0.780 7.199 -14.234 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.093 5.487 -12.479 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -4.054 6.020 -13.921 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.171 7.409 -13.317 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -3.106 8.215 -15.413 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.039 6.898 -15.857 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -3.954 5.480 -16.486 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.088 6.671 -15.880 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.216 8.332 -17.564 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.124 7.110 -18.186 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -5.108 7.274 -19.520 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.031 5.748 -18.778 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.088 6.932 -18.175 1.00 10.00 H new ATOM 1405 N THR A 89 -1.566 4.105 -15.397 1.00 10.00 N ATOM 1406 CA THR A 89 -1.483 2.864 -16.144 1.00 10.00 C ATOM 1407 C THR A 89 -0.836 1.762 -15.290 1.00 10.00 C ATOM 1408 O THR A 89 -1.507 0.833 -14.846 1.00 10.00 O ATOM 1409 CB THR A 89 -0.712 3.199 -17.430 1.00 10.00 C ATOM 1410 OG1 THR A 89 -1.247 4.394 -17.974 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.788 2.082 -18.465 1.00 10.00 C ATOM 0 H THR A 89 -1.208 4.902 -15.924 1.00 10.00 H new ATOM 0 HA THR A 89 -2.461 2.461 -16.408 1.00 10.00 H new ATOM 0 HB THR A 89 0.341 3.321 -17.175 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.765 4.624 -18.796 1.00 10.00 H new ATOM 0 HG21 THR A 89 -0.227 2.371 -19.354 1.00 10.00 H new ATOM 0 HG22 THR A 89 -0.363 1.169 -18.047 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.829 1.906 -18.735 1.00 10.00 H new ATOM 1419 N GLU A 90 0.459 1.902 -15.007 1.00 10.00 N ATOM 1420 CA GLU A 90 1.209 1.044 -14.117 1.00 10.00 C ATOM 1421 C GLU A 90 0.509 0.820 -12.773 1.00 10.00 C ATOM 1422 O GLU A 90 0.516 -0.296 -12.260 1.00 10.00 O ATOM 1423 CB GLU A 90 2.581 1.683 -13.899 1.00 10.00 C ATOM 1424 CG GLU A 90 3.595 1.362 -15.024 1.00 10.00 C ATOM 1425 CD GLU A 90 3.533 2.311 -16.233 1.00 10.00 C ATOM 1426 OE1 GLU A 90 2.449 2.880 -16.450 1.00 10.00 O ATOM 1427 OE2 GLU A 90 4.566 2.557 -16.901 1.00 10.00 O ATOM 0 H GLU A 90 1.027 2.647 -15.411 1.00 10.00 H new ATOM 0 HA GLU A 90 1.298 0.060 -14.577 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.462 2.764 -13.825 1.00 10.00 H new ATOM 0 HB3 GLU A 90 2.986 1.341 -12.947 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.602 1.392 -14.607 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.423 0.343 -15.370 1.00 10.00 H new ATOM 1434 N ARG A 91 -0.058 1.871 -12.173 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.807 1.736 -10.924 1.00 10.00 C ATOM 1436 C ARG A 91 -1.860 0.628 -11.070 1.00 10.00 C ATOM 1437 O ARG A 91 -2.014 -0.210 -10.181 1.00 10.00 O ATOM 1438 CB ARG A 91 -1.458 3.083 -10.555 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.945 3.678 -9.238 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.285 5.173 -9.161 1.00 10.00 C ATOM 1441 NE ARG A 91 -0.366 6.015 -9.955 1.00 10.00 N ATOM 1442 CZ ARG A 91 0.774 6.560 -9.496 1.00 10.00 C ATOM 1443 NH1 ARG A 91 1.186 6.261 -8.265 1.00 10.00 N ATOM 1444 NH2 ARG A 91 1.498 7.382 -10.261 1.00 10.00 N ATOM 0 H ARG A 91 -0.011 2.824 -12.534 1.00 10.00 H new ATOM 0 HA ARG A 91 -0.129 1.458 -10.117 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.277 3.796 -11.360 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -2.537 2.947 -10.486 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.393 3.152 -8.395 1.00 10.00 H new ATOM 0 HG3 ARG A 91 0.134 3.539 -9.164 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.305 5.327 -9.513 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.255 5.494 -8.120 1.00 10.00 H new ATOM 0 HE ARG A 91 -0.616 6.197 -10.927 1.00 10.00 H new ATOM 0 HH11 ARG A 91 0.638 5.626 -7.684 1.00 10.00 H new ATOM 0 HH12 ARG A 91 2.049 6.667 -7.903 1.00 10.00 H new ATOM 0 HH21 ARG A 91 1.188 7.604 -11.207 1.00 10.00 H new ATOM 0 HH22 ARG A 91 2.361 7.788 -9.899 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.556 0.613 -12.209 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.603 -0.363 -12.490 1.00 10.00 C ATOM 1460 C GLU A 92 -2.996 -1.772 -12.495 1.00 10.00 C ATOM 1461 O GLU A 92 -3.435 -2.645 -11.745 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.330 0.007 -13.800 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.852 -0.214 -13.745 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.252 -1.656 -14.012 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.106 -2.519 -13.117 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.608 -1.951 -15.176 1.00 10.00 O ATOM 0 H GLU A 92 -2.406 1.282 -12.964 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.363 -0.352 -11.709 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.132 1.053 -14.032 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.915 -0.585 -14.616 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -6.222 0.084 -12.764 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -6.334 0.433 -14.478 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.942 -1.989 -13.295 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.179 -3.243 -13.296 1.00 10.00 C ATOM 1475 C ASP A 93 -0.852 -3.662 -11.861 1.00 10.00 C ATOM 1476 O ASP A 93 -1.097 -4.794 -11.450 1.00 10.00 O ATOM 1477 CB ASP A 93 0.093 -3.115 -14.154 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.144 -3.230 -15.656 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.328 -3.333 -16.053 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.872 -3.227 -16.386 1.00 10.00 O ATOM 0 H ASP A 93 -1.595 -1.298 -13.960 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.792 -4.025 -13.745 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.562 -2.153 -13.945 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.800 -3.887 -13.850 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.341 -2.728 -11.066 1.00 10.00 N ATOM 1486 CA LEU A 94 -0.035 -2.968 -9.665 1.00 10.00 C ATOM 1487 C LEU A 94 -1.241 -3.526 -8.902 1.00 10.00 C ATOM 1488 O LEU A 94 -1.165 -4.618 -8.332 1.00 10.00 O ATOM 1489 CB LEU A 94 0.485 -1.673 -9.038 1.00 10.00 C ATOM 1490 CG LEU A 94 1.726 -1.942 -8.193 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.287 -0.606 -7.740 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.414 -2.767 -6.964 1.00 10.00 C ATOM 0 H LEU A 94 -0.128 -1.781 -11.379 1.00 10.00 H new ATOM 0 HA LEU A 94 0.740 -3.731 -9.599 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.722 -0.953 -9.822 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.292 -1.225 -8.419 1.00 10.00 H new ATOM 0 HG LEU A 94 2.437 -2.501 -8.802 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.177 -0.772 -7.133 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.549 -0.007 -8.612 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.538 -0.078 -7.149 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.329 -2.932 -6.395 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.691 -2.237 -6.344 1.00 10.00 H new ATOM 0 HD23 LEU A 94 0.997 -3.727 -7.267 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.356 -2.783 -8.898 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.614 -3.234 -8.324 1.00 10.00 C ATOM 1506 C ILE A 95 -3.959 -4.640 -8.817 1.00 10.00 C ATOM 1507 O ILE A 95 -4.424 -5.466 -8.034 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.733 -2.218 -8.644 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.882 -1.195 -7.515 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -6.113 -2.871 -8.841 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.769 -0.162 -7.393 1.00 10.00 C ATOM 0 H ILE A 95 -2.402 -1.846 -9.298 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.514 -3.291 -7.240 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.425 -1.746 -9.577 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.826 -0.667 -7.653 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.954 -1.735 -6.571 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.852 -2.101 -9.063 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -6.066 -3.578 -9.669 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.400 -3.397 -7.931 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.984 0.507 -6.560 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.820 -0.669 -7.216 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.706 0.415 -8.315 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.765 -4.912 -10.108 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.057 -6.213 -10.688 1.00 10.00 C ATOM 1525 C ALA A 96 -3.392 -7.333 -9.898 1.00 10.00 C ATOM 1526 O ALA A 96 -4.079 -8.264 -9.476 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.668 -6.271 -12.159 1.00 10.00 C ATOM 0 H ALA A 96 -3.401 -4.233 -10.777 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.135 -6.360 -10.629 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.901 -7.258 -12.558 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.225 -5.515 -12.713 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.599 -6.081 -12.261 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.074 -7.234 -9.693 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.361 -8.194 -8.861 1.00 10.00 C ATOM 1535 C TYR A 97 -1.929 -8.175 -7.456 1.00 10.00 C ATOM 1536 O TYR A 97 -2.433 -9.192 -6.983 1.00 10.00 O ATOM 1537 CB TYR A 97 0.138 -7.896 -8.824 1.00 10.00 C ATOM 1538 CG TYR A 97 0.940 -8.713 -7.819 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.942 -10.121 -7.887 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.772 -8.069 -6.884 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.750 -10.877 -7.013 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.662 -8.825 -6.098 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.601 -10.232 -6.099 1.00 10.00 C ATOM 1544 OH TYR A 97 3.477 -10.948 -5.327 1.00 10.00 O ATOM 0 H TYR A 97 -1.487 -6.501 -10.092 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.494 -9.185 -9.296 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.550 -8.068 -9.818 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.276 -6.838 -8.600 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.321 -10.624 -8.613 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.728 -6.996 -6.770 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.715 -11.956 -7.046 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.398 -8.322 -5.489 1.00 10.00 H new ATOM 0 HH TYR A 97 2.984 -11.617 -4.807 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.821 -7.018 -6.801 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.207 -6.850 -5.407 1.00 10.00 C ATOM 1556 C LEU A 98 -3.554 -7.517 -5.103 1.00 10.00 C ATOM 1557 O LEU A 98 -3.632 -8.267 -4.138 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.189 -5.366 -5.010 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.069 -5.024 -4.003 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.070 -4.077 -4.636 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.607 -4.339 -2.753 1.00 10.00 C ATOM 0 H LEU A 98 -1.460 -6.166 -7.231 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.467 -7.361 -4.791 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.063 -4.758 -5.906 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.153 -5.100 -4.577 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.604 -5.970 -3.726 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.715 -3.843 -3.917 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.371 -4.548 -5.515 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.577 -3.158 -4.932 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.782 -4.119 -2.075 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.105 -3.411 -3.033 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.319 -4.997 -2.255 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.585 -7.304 -5.932 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.889 -7.958 -5.801 1.00 10.00 C ATOM 1575 C LYS A 99 -5.757 -9.449 -5.489 1.00 10.00 C ATOM 1576 O LYS A 99 -6.368 -9.936 -4.541 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.721 -7.792 -7.085 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.556 -6.510 -7.067 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.549 -6.402 -8.236 1.00 10.00 C ATOM 1580 CE LYS A 99 -7.849 -6.322 -9.600 1.00 10.00 C ATOM 1581 NZ LYS A 99 -7.605 -7.652 -10.199 1.00 10.00 N ATOM 0 H LYS A 99 -4.533 -6.663 -6.723 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.394 -7.471 -4.967 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.056 -7.779 -7.948 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.380 -8.652 -7.203 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.107 -6.459 -6.128 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.886 -5.650 -7.090 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -9.215 -7.265 -8.223 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.171 -5.518 -8.099 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -8.458 -5.728 -10.281 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -6.899 -5.801 -9.485 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -7.789 -7.611 -11.222 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -6.616 -7.930 -10.036 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -8.238 -8.351 -9.761 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.991 -10.181 -6.302 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.760 -11.587 -6.068 1.00 10.00 C ATOM 1597 C LYS A 100 -3.832 -11.713 -4.863 1.00 10.00 C ATOM 1598 O LYS A 100 -4.200 -12.334 -3.875 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.207 -12.212 -7.353 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.737 -13.658 -7.161 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.558 -14.701 -7.938 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.854 -15.069 -7.203 1.00 10.00 C ATOM 1603 NZ LYS A 100 -5.593 -15.998 -6.085 1.00 10.00 N ATOM 0 H LYS A 100 -4.523 -9.810 -7.129 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.673 -12.132 -5.830 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.977 -12.185 -8.124 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.373 -11.610 -7.714 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.694 -13.732 -7.468 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.774 -13.902 -6.099 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.799 -14.311 -8.927 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -3.958 -15.598 -8.087 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.328 -14.164 -6.823 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.554 -15.526 -7.903 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -6.036 -16.917 -6.287 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -4.567 -16.125 -5.972 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.992 -15.607 -5.208 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.643 -11.116 -4.945 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.540 -11.341 -4.020 1.00 10.00 C ATOM 1619 C ALA A 101 -2.028 -11.250 -2.576 1.00 10.00 C ATOM 1620 O ALA A 101 -1.822 -12.136 -1.750 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.446 -10.308 -4.298 1.00 10.00 C ATOM 0 H ALA A 101 -2.418 -10.444 -5.679 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.133 -12.342 -4.165 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.386 -10.466 -3.612 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.095 -10.417 -5.324 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.848 -9.305 -4.156 1.00 10.00 H new ATOM 1627 N THR A 102 -2.759 -10.177 -2.293 1.00 10.00 N ATOM 1628 CA THR A 102 -3.229 -9.881 -0.958 1.00 10.00 C ATOM 1629 C THR A 102 -4.151 -10.949 -0.390 1.00 10.00 C ATOM 1630 O THR A 102 -4.216 -11.102 0.830 1.00 10.00 O ATOM 1631 CB THR A 102 -3.919 -8.524 -0.933 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.997 -8.496 -1.849 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.884 -7.451 -1.259 1.00 10.00 C ATOM 0 H THR A 102 -3.040 -9.489 -2.992 1.00 10.00 H new ATOM 0 HA THR A 102 -2.347 -9.862 -0.317 1.00 10.00 H new ATOM 0 HB THR A 102 -4.336 -8.334 0.056 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.653 -8.348 -2.755 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.360 -6.470 -1.246 1.00 10.00 H new ATOM 0 HG22 THR A 102 -2.086 -7.477 -0.516 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.465 -7.638 -2.248 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.870 -11.641 -1.275 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.791 -12.720 -0.965 1.00 10.00 C ATOM 1643 C ASN A 103 -5.125 -14.085 -1.186 1.00 10.00 C ATOM 1644 O ASN A 103 -5.772 -15.108 -0.967 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.038 -12.558 -1.860 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.336 -12.484 -1.060 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.535 -13.206 -0.090 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.244 -11.593 -1.454 1.00 10.00 N ATOM 0 H ASN A 103 -4.819 -11.450 -2.276 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.082 -12.674 0.084 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.934 -11.654 -2.459 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -7.092 -13.396 -2.555 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.124 -11.502 -0.946 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.060 -11.001 -2.264 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.851 -14.091 -1.613 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.181 -15.170 -2.314 1.00 10.00 C ATOM 1657 C GLU A 104 -3.910 -15.450 -3.643 1.00 10.00 C ATOM 1658 O GLU A 104 -3.285 -15.867 -4.643 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.031 -16.396 -1.404 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.567 -16.799 -1.169 1.00 10.00 C ATOM 1661 CD GLU A 104 -1.463 -18.177 -0.525 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -1.877 -18.290 0.651 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -0.968 -19.094 -1.214 1.00 10.00 O ATOM 1664 OXT GLU A 104 -5.135 -15.221 -3.752 1.00 10.00 O ATOM 0 H GLU A 104 -3.236 -13.291 -1.463 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.163 -14.882 -2.575 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.502 -16.188 -0.444 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.566 -17.236 -1.846 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.032 -16.799 -2.118 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -1.083 -16.060 -0.530 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.614 4.999 0.377 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.974 3.708 0.274 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.299 2.944 1.147 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.461 3.825 1.839 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.647 5.091 1.353 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.990 5.773 -0.171 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.131 5.995 1.675 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.771 3.548 2.636 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.718 3.330 -0.428 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.409 0.983 1.359 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.970 1.341 3.672 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.102 0.150 -1.006 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.876 1.073 -1.026 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.787 0.992 3.802 1.00 10.00 C HETATM 1686 NA HEC A 110 1.421 0.806 1.330 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.615 1.009 2.398 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.754 0.812 1.995 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.734 0.488 0.659 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.661 0.451 0.262 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.950 0.353 -0.237 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.970 0.906 2.897 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.010 -0.035 4.124 1.00 10.00 C HETATM 1694 CGA HEC A 110 -0.879 -1.074 4.198 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.744 -1.847 3.228 1.00 10.00 O HETATM 1696 O2A HEC A 110 -0.110 -1.017 5.182 1.00 10.00 O HETATM 1697 NB HEC A 110 3.482 0.670 -0.614 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.427 0.264 -1.366 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.921 -0.082 -2.677 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.253 0.267 -2.722 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.597 0.731 -1.397 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.135 -0.815 -3.741 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.215 0.029 -3.878 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.664 0.496 -5.235 1.00 10.00 C HETATM 1705 NC HEC A 110 5.443 1.111 1.377 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.246 1.151 0.288 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.623 1.183 0.722 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.604 1.067 2.094 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.209 1.050 2.492 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.839 1.216 -0.180 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.791 0.953 3.037 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.096 1.663 2.643 1.00 10.00 C HETATM 1713 ND HEC A 110 3.385 1.175 3.349 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.465 1.124 4.164 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.009 1.296 5.527 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.650 1.448 5.474 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.264 1.322 4.095 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.831 1.451 6.784 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.740 1.744 6.641 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.079 3.129 6.562 1.00 10.00 C HETATM 1721 CGD HEC A 110 2.053 4.319 6.643 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.556 5.391 7.044 1.00 10.00 O HETATM 1723 O2D HEC A 110 3.253 4.169 6.297 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.457 0.569 6.920 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.463 2.335 6.699 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.167 1.560 7.642 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.847 0.328 -0.813 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.804 2.108 -0.806 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.743 1.236 0.429 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.838 -1.794 -3.364 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.246 -0.239 -3.998 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.754 -0.941 -4.629 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.605 -0.426 0.153 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.489 1.300 -0.264 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.631 0.088 -1.245 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.523 3.197 5.627 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 0.354 3.216 7.371 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.452 1.268 1.691 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.913 2.733 2.546 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.850 1.492 3.411 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.743 -0.043 -5.459 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.458 1.566 -5.195 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.400 0.297 -6.014 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -1.981 0.574 5.028 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -2.964 -0.562 4.125 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.963 0.981 6.689 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.313 1.675 7.566 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.047 1.933 3.255 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.856 0.712 2.292 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.530 0.835 4.584 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.614 1.287 -1.799 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.380 -0.189 -1.749 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.191 1.632 4.376 1.00 10.00 H new HETATM 0 H2D HEC A 110 3.302 4.066 5.324 1.00 10.00 H new HETATM 0 H2A HEC A 110 -0.538 -1.438 5.957 1.00 10.00 H new