USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 hydrogens (128 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 22 HIS HE2 : A 22 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 65 TYR OH : rot -141:sc= 0.831 USER MOD Set 1.2: A 111 HEC O2D : rot 82:sc= 0.595! USER MOD Single : A 1 ALA N :NH3+ -118:sc= -1.49 (180deg=-4.25!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -0.192 (180deg=-1.07) USER MOD Single : A 11 MET CE :methyl -158:sc= -1.03 (180deg=-2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -8.56! C(o=-8.6!,f=-17!) USER MOD Single : A 21 ASN : amide:sc= -0.74! C(o=-0.74!,f=-5.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 23:sc= -0.97 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -2.8 F(o=-4!,f=-2.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -151:sc= 1.05 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 167:sc= -1.75! USER MOD Single : A 54 SER OG : rot 180:sc= -0.109 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc=-0.00831 (180deg=-0.118) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0626 (180deg=-0.644) USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= -0.144 (180deg=-0.445) USER MOD Single : A 61 SER OG : rot 180:sc= -0.661 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -7.25! C(o=-7.3!,f=-10!) USER MOD Single : A 69 MET CE :methyl -155:sc= -5.64! (180deg=-7.72!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc=-0.00305 X(o=-0.0031,f=0) USER MOD Single : A 74 THR OG1 : rot 121:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0.0132 (180deg=-0.75) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 132:sc= 1.3 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= -0.0818 (180deg=-0.497) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -130:sc= -0.0525 (180deg=-0.499) USER MOD Single : A 98 THR OG1 : rot -11:sc= 0.0871 USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.211 (180deg=-1.44!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 79:sc= 1.19 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 165:sc= -0.247 USER MOD Single : A 108 HEC O2D : rot 180:sc= -0.0204 USER MOD Single : A 109 HEC O2A : rot 180:sc= 0.699 USER MOD Single : A 109 HEC O2D : rot 180:sc= 0 USER MOD Single : A 110 HEC O2A : rot 165:sc= -0.247 USER MOD Single : A 110 HEC O2D : rot 180:sc= 0 USER MOD Single : A 111 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.328 -17.376 -4.384 1.00 0.00 N ATOM 2 CA ALA A 1 -4.081 -16.782 -4.833 1.00 0.00 C ATOM 3 C ALA A 1 -4.367 -15.812 -5.981 1.00 0.00 C ATOM 4 O ALA A 1 -3.987 -16.030 -7.129 1.00 0.00 O ATOM 5 CB ALA A 1 -3.103 -17.889 -5.235 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.498 -17.117 -3.391 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.111 -17.026 -4.972 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.269 -18.411 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.616 -16.213 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.167 -17.443 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.910 -18.533 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.535 -18.480 -6.043 1.00 0.00 H new ATOM 13 N PRO A 2 -5.056 -14.721 -5.639 1.00 0.00 N ATOM 14 CA PRO A 2 -5.434 -13.672 -6.562 1.00 0.00 C ATOM 15 C PRO A 2 -4.320 -12.638 -6.644 1.00 0.00 C ATOM 16 O PRO A 2 -4.065 -11.960 -5.650 1.00 0.00 O ATOM 17 CB PRO A 2 -6.702 -13.065 -5.967 1.00 0.00 C ATOM 18 CG PRO A 2 -6.342 -13.155 -4.432 1.00 0.00 C ATOM 19 CD PRO A 2 -5.518 -14.433 -4.299 1.00 0.00 C ATOM 0 HA PRO A 2 -5.603 -14.038 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.870 -12.040 -6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.597 -13.633 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.775 -12.283 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.241 -13.198 -3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.681 -14.294 -3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.120 -15.252 -3.904 1.00 0.00 H new ATOM 27 N LYS A 3 -3.687 -12.537 -7.804 1.00 0.00 N ATOM 28 CA LYS A 3 -2.607 -11.583 -7.986 1.00 0.00 C ATOM 29 C LYS A 3 -3.147 -10.165 -7.787 1.00 0.00 C ATOM 30 O LYS A 3 -3.731 -9.859 -6.748 1.00 0.00 O ATOM 31 CB LYS A 3 -1.926 -11.797 -9.340 1.00 0.00 C ATOM 32 CG LYS A 3 -1.357 -13.213 -9.449 1.00 0.00 C ATOM 33 CD LYS A 3 0.085 -13.265 -8.940 1.00 0.00 C ATOM 34 CE LYS A 3 0.273 -14.411 -7.944 1.00 0.00 C ATOM 35 NZ LYS A 3 1.518 -14.222 -7.165 1.00 0.00 N ATOM 0 H LYS A 3 -3.902 -13.100 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.831 -11.738 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.643 -11.626 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.125 -11.069 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.975 -13.902 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.392 -13.544 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.767 -13.393 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.341 -12.319 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.582 -14.458 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.311 -15.361 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.630 -15.008 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.332 -14.200 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.467 -13.325 -6.642 1.00 0.00 H new ATOM 49 N ALA A 4 -2.932 -9.337 -8.799 1.00 0.00 N ATOM 50 CA ALA A 4 -3.389 -7.958 -8.748 1.00 0.00 C ATOM 51 C ALA A 4 -4.356 -7.703 -9.906 1.00 0.00 C ATOM 52 O ALA A 4 -4.026 -7.064 -10.902 1.00 0.00 O ATOM 53 CB ALA A 4 -2.182 -7.018 -8.777 1.00 0.00 C ATOM 0 H ALA A 4 -2.448 -9.594 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.928 -7.766 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.525 -5.984 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.543 -7.220 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.617 -7.179 -9.695 1.00 0.00 H new ATOM 59 N PRO A 5 -5.575 -8.224 -9.748 1.00 0.00 N ATOM 60 CA PRO A 5 -6.644 -8.104 -10.716 1.00 0.00 C ATOM 61 C PRO A 5 -6.649 -6.698 -11.300 1.00 0.00 C ATOM 62 O PRO A 5 -6.052 -5.804 -10.701 1.00 0.00 O ATOM 63 CB PRO A 5 -7.922 -8.370 -9.922 1.00 0.00 C ATOM 64 CG PRO A 5 -7.469 -9.297 -8.840 1.00 0.00 C ATOM 65 CD PRO A 5 -5.997 -8.981 -8.589 1.00 0.00 C ATOM 0 HA PRO A 5 -6.539 -8.796 -11.552 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.341 -7.450 -9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.694 -8.824 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.057 -9.153 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.597 -10.337 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.867 -8.405 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.411 -9.893 -8.478 1.00 0.00 H new ATOM 73 N ALA A 6 -7.306 -6.530 -12.438 1.00 0.00 N ATOM 74 CA ALA A 6 -7.370 -5.228 -13.079 1.00 0.00 C ATOM 75 C ALA A 6 -8.515 -4.418 -12.468 1.00 0.00 C ATOM 76 O ALA A 6 -9.222 -4.904 -11.586 1.00 0.00 O ATOM 77 CB ALA A 6 -7.527 -5.411 -14.590 1.00 0.00 C ATOM 0 H ALA A 6 -7.799 -7.274 -12.933 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.448 -4.672 -12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.575 -4.434 -15.072 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.674 -5.966 -14.980 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.444 -5.963 -14.796 1.00 0.00 H new ATOM 83 N ASP A 7 -8.664 -3.198 -12.961 1.00 0.00 N ATOM 84 CA ASP A 7 -9.711 -2.316 -12.475 1.00 0.00 C ATOM 85 C ASP A 7 -11.016 -3.104 -12.347 1.00 0.00 C ATOM 86 O ASP A 7 -11.124 -4.221 -12.851 1.00 0.00 O ATOM 87 CB ASP A 7 -9.951 -1.158 -13.445 1.00 0.00 C ATOM 88 CG ASP A 7 -8.749 -0.782 -14.313 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.626 -1.170 -13.926 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.981 -0.114 -15.345 1.00 0.00 O ATOM 0 H ASP A 7 -8.076 -2.799 -13.693 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.396 -1.918 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.784 -1.417 -14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.255 -0.282 -12.873 1.00 0.00 H new ATOM 95 N GLY A 8 -11.976 -2.492 -11.668 1.00 0.00 N ATOM 96 CA GLY A 8 -13.269 -3.122 -11.467 1.00 0.00 C ATOM 97 C GLY A 8 -13.760 -2.923 -10.032 1.00 0.00 C ATOM 98 O GLY A 8 -14.903 -3.245 -9.712 1.00 0.00 O ATOM 0 H GLY A 8 -11.883 -1.566 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.994 -2.702 -12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.196 -4.187 -11.686 1.00 0.00 H new ATOM 102 N LEU A 9 -12.870 -2.393 -9.205 1.00 0.00 N ATOM 103 CA LEU A 9 -13.198 -2.147 -7.811 1.00 0.00 C ATOM 104 C LEU A 9 -13.561 -0.672 -7.630 1.00 0.00 C ATOM 105 O LEU A 9 -12.816 0.211 -8.052 1.00 0.00 O ATOM 106 CB LEU A 9 -12.060 -2.617 -6.902 1.00 0.00 C ATOM 107 CG LEU A 9 -11.106 -1.528 -6.405 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.639 -0.873 -5.130 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.692 -2.082 -6.217 1.00 0.00 C ATOM 0 H LEU A 9 -11.923 -2.127 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.071 -2.729 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.495 -3.114 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.477 -3.365 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.048 -0.750 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.943 -0.103 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.610 -0.421 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.745 -1.627 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.034 -1.288 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.712 -2.890 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.321 -2.464 -7.168 1.00 0.00 H new ATOM 121 N LYS A 10 -14.706 -0.451 -7.000 1.00 0.00 N ATOM 122 CA LYS A 10 -15.177 0.902 -6.758 1.00 0.00 C ATOM 123 C LYS A 10 -15.558 1.048 -5.283 1.00 0.00 C ATOM 124 O LYS A 10 -16.417 0.322 -4.786 1.00 0.00 O ATOM 125 CB LYS A 10 -16.309 1.257 -7.724 1.00 0.00 C ATOM 126 CG LYS A 10 -17.655 0.752 -7.200 1.00 0.00 C ATOM 127 CD LYS A 10 -17.683 -0.777 -7.142 1.00 0.00 C ATOM 128 CE LYS A 10 -19.093 -1.310 -7.400 1.00 0.00 C ATOM 129 NZ LYS A 10 -19.557 -0.918 -8.750 1.00 0.00 N ATOM 0 H LYS A 10 -15.321 -1.186 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.384 1.623 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.350 2.338 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.108 0.820 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.839 1.160 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.458 1.110 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.995 -1.185 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.336 -1.114 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.100 -2.396 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.778 -0.922 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.225 -1.630 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.030 0.007 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.742 -0.855 -9.393 1.00 0.00 H new ATOM 143 N MET A 11 -14.900 1.992 -4.626 1.00 0.00 N ATOM 144 CA MET A 11 -15.160 2.243 -3.218 1.00 0.00 C ATOM 145 C MET A 11 -16.182 3.367 -3.041 1.00 0.00 C ATOM 146 O MET A 11 -15.811 4.529 -2.880 1.00 0.00 O ATOM 147 CB MET A 11 -13.854 2.625 -2.519 1.00 0.00 C ATOM 148 CG MET A 11 -12.778 1.561 -2.747 1.00 0.00 C ATOM 149 SD MET A 11 -12.160 0.971 -1.180 1.00 0.00 S ATOM 150 CE MET A 11 -10.947 2.232 -0.830 1.00 0.00 C ATOM 0 H MET A 11 -14.188 2.592 -5.042 1.00 0.00 H new ATOM 0 HA MET A 11 -15.568 1.334 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.505 3.587 -2.894 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.031 2.745 -1.450 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.192 0.731 -3.320 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.961 1.979 -3.335 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.211 1.844 -0.126 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.447 2.522 -1.754 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.441 3.101 -0.396 1.00 0.00 H new ATOM 160 N GLU A 12 -17.449 2.983 -3.076 1.00 0.00 N ATOM 161 CA GLU A 12 -18.528 3.944 -2.921 1.00 0.00 C ATOM 162 C GLU A 12 -19.425 3.550 -1.747 1.00 0.00 C ATOM 163 O GLU A 12 -20.649 3.633 -1.840 1.00 0.00 O ATOM 164 CB GLU A 12 -19.339 4.071 -4.213 1.00 0.00 C ATOM 165 CG GLU A 12 -20.396 2.968 -4.306 1.00 0.00 C ATOM 166 CD GLU A 12 -20.532 2.460 -5.743 1.00 0.00 C ATOM 167 OE1 GLU A 12 -20.222 3.254 -6.658 1.00 0.00 O ATOM 168 OE2 GLU A 12 -20.942 1.289 -5.895 1.00 0.00 O ATOM 0 H GLU A 12 -17.753 2.019 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.092 4.920 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.822 5.047 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.672 4.014 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.124 2.142 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.356 3.349 -3.959 1.00 0.00 H new ATOM 175 N ALA A 13 -18.782 3.129 -0.667 1.00 0.00 N ATOM 176 CA ALA A 13 -19.507 2.722 0.525 1.00 0.00 C ATOM 177 C ALA A 13 -20.197 3.942 1.138 1.00 0.00 C ATOM 178 O ALA A 13 -21.184 3.805 1.859 1.00 0.00 O ATOM 179 CB ALA A 13 -18.544 2.044 1.501 1.00 0.00 C ATOM 0 H ALA A 13 -17.767 3.061 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.281 1.997 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.087 1.739 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.103 1.167 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.754 2.743 1.777 1.00 0.00 H new ATOM 185 N THR A 14 -19.650 5.109 0.830 1.00 0.00 N ATOM 186 CA THR A 14 -20.200 6.352 1.343 1.00 0.00 C ATOM 187 C THR A 14 -20.975 7.084 0.246 1.00 0.00 C ATOM 188 O THR A 14 -21.387 6.476 -0.741 1.00 0.00 O ATOM 189 CB THR A 14 -19.048 7.174 1.925 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.493 7.843 0.795 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.904 6.298 2.438 1.00 0.00 C ATOM 0 H THR A 14 -18.831 5.220 0.232 1.00 0.00 H new ATOM 0 HA THR A 14 -20.921 6.167 2.139 1.00 0.00 H new ATOM 0 HB THR A 14 -19.421 7.796 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.740 8.401 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.113 6.931 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.275 5.638 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.508 5.700 1.618 1.00 0.00 H new ATOM 199 N LYS A 15 -21.152 8.381 0.455 1.00 0.00 N ATOM 200 CA LYS A 15 -21.871 9.203 -0.503 1.00 0.00 C ATOM 201 C LYS A 15 -20.874 9.826 -1.483 1.00 0.00 C ATOM 202 O LYS A 15 -21.099 10.925 -1.987 1.00 0.00 O ATOM 203 CB LYS A 15 -22.746 10.228 0.220 1.00 0.00 C ATOM 204 CG LYS A 15 -23.678 9.544 1.222 1.00 0.00 C ATOM 205 CD LYS A 15 -24.966 10.349 1.411 1.00 0.00 C ATOM 206 CE LYS A 15 -24.789 11.420 2.489 1.00 0.00 C ATOM 207 NZ LYS A 15 -25.251 10.915 3.801 1.00 0.00 N ATOM 0 H LYS A 15 -20.809 8.883 1.274 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.557 8.592 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -22.114 10.949 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.335 10.786 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.920 8.540 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -23.170 9.434 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -25.247 10.819 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.780 9.680 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -23.740 11.710 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.351 12.314 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -25.124 11.654 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.257 10.660 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -24.697 10.076 4.065 1.00 0.00 H new ATOM 221 N GLN A 16 -19.794 9.098 -1.722 1.00 0.00 N ATOM 222 CA GLN A 16 -18.762 9.566 -2.631 1.00 0.00 C ATOM 223 C GLN A 16 -17.978 8.382 -3.200 1.00 0.00 C ATOM 224 O GLN A 16 -16.989 7.921 -2.633 1.00 0.00 O ATOM 225 CB GLN A 16 -17.828 10.559 -1.937 1.00 0.00 C ATOM 226 CG GLN A 16 -18.397 10.994 -0.585 1.00 0.00 C ATOM 227 CD GLN A 16 -17.430 11.930 0.142 1.00 0.00 C ATOM 228 OE1 GLN A 16 -16.232 11.927 -0.088 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.015 12.730 1.030 1.00 0.00 N ATOM 0 H GLN A 16 -19.611 8.187 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.244 10.088 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.848 10.103 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.683 11.433 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.353 11.497 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.591 10.116 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.024 12.681 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.455 13.392 1.567 1.00 0.00 H new ATOM 238 N PRO A 17 -18.448 7.893 -4.350 1.00 0.00 N ATOM 239 CA PRO A 17 -17.862 6.779 -5.063 1.00 0.00 C ATOM 240 C PRO A 17 -16.465 7.153 -5.536 1.00 0.00 C ATOM 241 O PRO A 17 -16.314 8.189 -6.181 1.00 0.00 O ATOM 242 CB PRO A 17 -18.795 6.539 -6.248 1.00 0.00 C ATOM 243 CG PRO A 17 -20.086 7.259 -5.925 1.00 0.00 C ATOM 244 CD PRO A 17 -19.608 8.410 -5.043 1.00 0.00 C ATOM 0 HA PRO A 17 -17.760 5.886 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.358 6.920 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.970 5.473 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.587 7.617 -6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.792 6.613 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.353 9.286 -5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.383 8.717 -4.341 1.00 0.00 H new ATOM 252 N VAL A 18 -15.486 6.322 -5.211 1.00 0.00 N ATOM 253 CA VAL A 18 -14.115 6.588 -5.612 1.00 0.00 C ATOM 254 C VAL A 18 -13.460 5.283 -6.070 1.00 0.00 C ATOM 255 O VAL A 18 -13.014 4.485 -5.246 1.00 0.00 O ATOM 256 CB VAL A 18 -13.358 7.268 -4.469 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.940 7.648 -4.900 1.00 0.00 C ATOM 258 CG2 VAL A 18 -14.122 8.490 -3.957 1.00 0.00 C ATOM 0 H VAL A 18 -15.615 5.464 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.091 7.278 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.278 6.555 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.424 8.129 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.396 6.750 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.988 8.335 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.563 8.955 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.247 9.207 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.101 8.180 -3.592 1.00 0.00 H new ATOM 268 N VAL A 19 -13.421 5.106 -7.382 1.00 0.00 N ATOM 269 CA VAL A 19 -12.828 3.911 -7.959 1.00 0.00 C ATOM 270 C VAL A 19 -11.304 4.040 -7.932 1.00 0.00 C ATOM 271 O VAL A 19 -10.771 5.148 -7.904 1.00 0.00 O ATOM 272 CB VAL A 19 -13.383 3.679 -9.366 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.535 4.400 -10.416 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.484 2.184 -9.675 1.00 0.00 C ATOM 0 H VAL A 19 -13.790 5.770 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.091 3.032 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.389 4.098 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.951 4.219 -11.407 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.537 5.471 -10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.512 4.025 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.881 2.046 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.494 1.731 -9.611 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.148 1.708 -8.954 1.00 0.00 H new ATOM 284 N PHE A 20 -10.645 2.891 -7.940 1.00 0.00 N ATOM 285 CA PHE A 20 -9.192 2.861 -7.916 1.00 0.00 C ATOM 286 C PHE A 20 -8.656 1.649 -8.681 1.00 0.00 C ATOM 287 O PHE A 20 -8.948 0.508 -8.327 1.00 0.00 O ATOM 288 CB PHE A 20 -8.771 2.750 -6.449 1.00 0.00 C ATOM 289 CG PHE A 20 -7.553 1.855 -6.217 1.00 0.00 C ATOM 290 CD1 PHE A 20 -7.708 0.508 -6.117 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.314 2.407 -6.111 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.577 -0.324 -5.902 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.183 1.576 -5.896 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.338 0.228 -5.796 1.00 0.00 C ATOM 0 H PHE A 20 -11.090 1.974 -7.963 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.794 3.760 -8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.554 3.748 -6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.609 2.363 -5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.692 0.070 -6.201 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.191 3.477 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.700 -1.394 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.199 2.014 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.478 -0.404 -5.632 1.00 0.00 H new ATOM 304 N ASN A 21 -7.880 1.939 -9.715 1.00 0.00 N ATOM 305 CA ASN A 21 -7.300 0.887 -10.533 1.00 0.00 C ATOM 306 C ASN A 21 -5.952 0.470 -9.940 1.00 0.00 C ATOM 307 O ASN A 21 -5.216 1.297 -9.406 1.00 0.00 O ATOM 308 CB ASN A 21 -7.057 1.372 -11.963 1.00 0.00 C ATOM 309 CG ASN A 21 -7.972 2.550 -12.306 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.023 3.552 -11.612 1.00 0.00 O ATOM 311 ND2 ASN A 21 -8.690 2.373 -13.411 1.00 0.00 N ATOM 0 H ASN A 21 -7.639 2.887 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.998 0.050 -10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.015 1.671 -12.077 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.233 0.555 -12.663 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.332 3.101 -13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.599 1.509 -13.946 1.00 0.00 H new ATOM 318 N HIS A 22 -5.664 -0.827 -10.053 1.00 0.00 N ATOM 319 CA HIS A 22 -4.425 -1.409 -9.548 1.00 0.00 C ATOM 320 C HIS A 22 -3.280 -1.138 -10.540 1.00 0.00 C ATOM 321 O HIS A 22 -2.122 -1.046 -10.137 1.00 0.00 O ATOM 322 CB HIS A 22 -4.662 -2.897 -9.248 1.00 0.00 C ATOM 323 CG HIS A 22 -5.240 -3.233 -7.892 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.551 -3.389 -7.688 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.636 -3.438 -6.675 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.756 -3.681 -6.394 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.607 -3.723 -5.723 1.00 0.00 N ATOM 0 H HIS A 22 -6.285 -1.502 -10.498 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.119 -0.945 -8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.331 -3.296 -10.011 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.712 -3.421 -9.352 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.277 -3.301 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.574 -3.386 -6.488 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.726 -3.859 -5.955 1.00 0.00 H new ATOM 335 N SER A 23 -3.645 -1.018 -11.808 1.00 0.00 N ATOM 336 CA SER A 23 -2.663 -0.760 -12.848 1.00 0.00 C ATOM 337 C SER A 23 -2.090 0.650 -12.688 1.00 0.00 C ATOM 338 O SER A 23 -1.027 0.956 -13.226 1.00 0.00 O ATOM 339 CB SER A 23 -3.278 -0.928 -14.239 1.00 0.00 C ATOM 340 OG SER A 23 -4.312 0.021 -14.485 1.00 0.00 O ATOM 0 H SER A 23 -4.607 -1.095 -12.139 1.00 0.00 H new ATOM 0 HA SER A 23 -1.857 -1.487 -12.746 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.500 -0.820 -14.995 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.680 -1.936 -14.338 1.00 0.00 H new ATOM 0 HG SER A 23 -4.677 -0.119 -15.384 1.00 0.00 H new ATOM 346 N THR A 24 -2.820 1.470 -11.947 1.00 0.00 N ATOM 347 CA THR A 24 -2.397 2.840 -11.710 1.00 0.00 C ATOM 348 C THR A 24 -1.741 2.965 -10.333 1.00 0.00 C ATOM 349 O THR A 24 -1.395 4.060 -9.896 1.00 0.00 O ATOM 350 CB THR A 24 -3.616 3.748 -11.886 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.641 3.103 -11.135 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.146 3.744 -13.321 1.00 0.00 C ATOM 0 H THR A 24 -3.701 1.213 -11.503 1.00 0.00 H new ATOM 0 HA THR A 24 -1.637 3.149 -12.427 1.00 0.00 H new ATOM 0 HB THR A 24 -3.355 4.766 -11.599 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.235 2.522 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.011 4.404 -13.391 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.366 4.094 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.439 2.731 -13.598 1.00 0.00 H new ATOM 360 N HIS A 25 -1.585 1.814 -9.677 1.00 0.00 N ATOM 361 CA HIS A 25 -0.978 1.734 -8.353 1.00 0.00 C ATOM 362 C HIS A 25 -0.282 0.372 -8.181 1.00 0.00 C ATOM 363 O HIS A 25 -0.511 -0.319 -7.189 1.00 0.00 O ATOM 364 CB HIS A 25 -2.052 2.033 -7.296 1.00 0.00 C ATOM 365 CG HIS A 25 -2.621 3.433 -7.282 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.652 3.798 -8.049 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.263 4.549 -6.564 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.928 5.092 -7.818 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.100 5.604 -6.909 1.00 0.00 N ATOM 0 H HIS A 25 -1.877 0.911 -10.052 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.196 2.483 -8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.875 1.333 -7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.628 1.829 -6.313 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.148 3.193 -8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.458 4.598 -5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.718 5.645 -8.305 1.00 0.00 H new ATOM 377 N LYS A 26 0.548 0.032 -9.156 1.00 0.00 N ATOM 378 CA LYS A 26 1.271 -1.227 -9.119 1.00 0.00 C ATOM 379 C LYS A 26 2.708 -0.972 -8.660 1.00 0.00 C ATOM 380 O LYS A 26 3.384 -1.884 -8.187 1.00 0.00 O ATOM 381 CB LYS A 26 1.175 -1.941 -10.469 1.00 0.00 C ATOM 382 CG LYS A 26 2.076 -1.271 -11.509 1.00 0.00 C ATOM 383 CD LYS A 26 1.485 -1.406 -12.914 1.00 0.00 C ATOM 384 CE LYS A 26 2.590 -1.564 -13.960 1.00 0.00 C ATOM 385 NZ LYS A 26 2.192 -0.926 -15.235 1.00 0.00 N ATOM 0 H LYS A 26 0.736 0.607 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 26 0.819 -1.904 -8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.462 -2.986 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.142 -1.931 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.200 -0.217 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.067 -1.724 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.818 -2.268 -12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.883 -0.527 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.513 -1.114 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.795 -2.622 -14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.953 -1.042 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.324 -1.374 -15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.019 0.087 -15.077 1.00 0.00 H new ATOM 399 N SER A 27 3.133 0.273 -8.817 1.00 0.00 N ATOM 400 CA SER A 27 4.478 0.660 -8.425 1.00 0.00 C ATOM 401 C SER A 27 4.482 1.135 -6.970 1.00 0.00 C ATOM 402 O SER A 27 5.194 2.077 -6.623 1.00 0.00 O ATOM 403 CB SER A 27 5.026 1.755 -9.342 1.00 0.00 C ATOM 404 OG SER A 27 4.320 1.819 -10.578 1.00 0.00 O ATOM 0 H SER A 27 2.570 1.027 -9.210 1.00 0.00 H new ATOM 0 HA SER A 27 5.126 -0.212 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.960 2.718 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.082 1.570 -9.537 1.00 0.00 H new ATOM 0 HG SER A 27 4.699 2.531 -11.135 1.00 0.00 H new ATOM 410 N VAL A 28 3.680 0.462 -6.159 1.00 0.00 N ATOM 411 CA VAL A 28 3.582 0.804 -4.750 1.00 0.00 C ATOM 412 C VAL A 28 3.624 -0.477 -3.915 1.00 0.00 C ATOM 413 O VAL A 28 3.092 -1.508 -4.325 1.00 0.00 O ATOM 414 CB VAL A 28 2.325 1.640 -4.500 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.005 1.715 -3.006 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.469 3.039 -5.101 1.00 0.00 C ATOM 0 H VAL A 28 3.092 -0.319 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 28 4.430 1.418 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 28 1.490 1.146 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.107 2.315 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.839 0.710 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.841 2.174 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.562 3.612 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.321 3.544 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.627 2.958 -6.177 1.00 0.00 H new ATOM 426 N LYS A 29 4.262 -0.371 -2.759 1.00 0.00 N ATOM 427 CA LYS A 29 4.381 -1.509 -1.862 1.00 0.00 C ATOM 428 C LYS A 29 3.010 -2.170 -1.700 1.00 0.00 C ATOM 429 O LYS A 29 2.062 -1.535 -1.242 1.00 0.00 O ATOM 430 CB LYS A 29 5.019 -1.084 -0.538 1.00 0.00 C ATOM 431 CG LYS A 29 5.736 -2.260 0.128 1.00 0.00 C ATOM 432 CD LYS A 29 5.135 -2.562 1.502 1.00 0.00 C ATOM 433 CE LYS A 29 5.617 -1.551 2.545 1.00 0.00 C ATOM 434 NZ LYS A 29 5.140 -1.931 3.893 1.00 0.00 N ATOM 0 H LYS A 29 4.702 0.485 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 29 5.050 -2.259 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.727 -0.275 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.252 -0.695 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.662 -3.143 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.797 -2.031 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.047 -2.536 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.413 -3.570 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.706 -1.503 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.253 -0.556 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.476 -1.235 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.100 -1.954 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.508 -2.872 4.139 1.00 0.00 H new ATOM 448 N CYS A 30 2.950 -3.436 -2.085 1.00 0.00 N ATOM 449 CA CYS A 30 1.712 -4.190 -1.987 1.00 0.00 C ATOM 450 C CYS A 30 1.217 -4.116 -0.541 1.00 0.00 C ATOM 451 O CYS A 30 0.039 -4.344 -0.273 1.00 0.00 O ATOM 452 CB CYS A 30 1.891 -5.635 -2.457 1.00 0.00 C ATOM 453 SG CYS A 30 0.331 -6.541 -2.763 1.00 0.00 S ATOM 0 H CYS A 30 3.739 -3.959 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 30 0.964 -3.753 -2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.480 -5.634 -3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.469 -6.177 -1.708 1.00 0.00 H new ATOM 458 N GLY A 31 2.143 -3.798 0.352 1.00 0.00 N ATOM 459 CA GLY A 31 1.816 -3.692 1.763 1.00 0.00 C ATOM 460 C GLY A 31 1.595 -2.233 2.167 1.00 0.00 C ATOM 461 O GLY A 31 1.541 -1.915 3.354 1.00 0.00 O ATOM 0 H GLY A 31 3.120 -3.610 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.918 -4.272 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.621 -4.120 2.360 1.00 0.00 H new ATOM 465 N ASP A 32 1.472 -1.385 1.156 1.00 0.00 N ATOM 466 CA ASP A 32 1.258 0.033 1.391 1.00 0.00 C ATOM 467 C ASP A 32 -0.240 0.299 1.549 1.00 0.00 C ATOM 468 O ASP A 32 -0.646 1.118 2.371 1.00 0.00 O ATOM 469 CB ASP A 32 1.765 0.869 0.215 1.00 0.00 C ATOM 470 CG ASP A 32 1.492 2.370 0.323 1.00 0.00 C ATOM 471 OD1 ASP A 32 2.290 3.044 1.010 1.00 0.00 O ATOM 472 OD2 ASP A 32 0.492 2.810 -0.284 1.00 0.00 O ATOM 0 H ASP A 32 1.516 -1.653 0.173 1.00 0.00 H new ATOM 0 HA ASP A 32 1.804 0.311 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.840 0.717 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.306 0.497 -0.701 1.00 0.00 H new ATOM 477 N CYS A 33 -1.022 -0.410 0.747 1.00 0.00 N ATOM 478 CA CYS A 33 -2.467 -0.261 0.787 1.00 0.00 C ATOM 479 C CYS A 33 -3.039 -1.360 1.685 1.00 0.00 C ATOM 480 O CYS A 33 -3.875 -1.099 2.547 1.00 0.00 O ATOM 481 CB CYS A 33 -3.078 -0.294 -0.615 1.00 0.00 C ATOM 482 SG CYS A 33 -3.248 1.409 -1.264 1.00 0.00 S ATOM 0 H CYS A 33 -0.682 -1.089 0.066 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.723 0.714 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.449 -0.885 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.053 -0.779 -0.584 1.00 0.00 H new ATOM 487 N HIS A 34 -2.562 -2.583 1.451 1.00 0.00 N ATOM 488 CA HIS A 34 -2.988 -3.757 2.205 1.00 0.00 C ATOM 489 C HIS A 34 -2.007 -4.015 3.364 1.00 0.00 C ATOM 490 O HIS A 34 -1.166 -4.908 3.283 1.00 0.00 O ATOM 491 CB HIS A 34 -3.148 -4.938 1.237 1.00 0.00 C ATOM 492 CG HIS A 34 -4.094 -4.741 0.075 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.422 -4.762 0.217 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.855 -4.518 -1.260 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.990 -4.560 -0.982 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.067 -4.403 -1.930 1.00 0.00 N ATOM 0 H HIS A 34 -1.868 -2.785 0.731 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.961 -3.601 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.165 -5.185 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.486 -5.802 1.808 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.923 -4.908 1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.879 -4.444 -1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.055 -4.529 -1.156 1.00 0.00 H new ATOM 504 N HIS A 35 -2.149 -3.215 4.421 1.00 0.00 N ATOM 505 CA HIS A 35 -1.309 -3.316 5.609 1.00 0.00 C ATOM 506 C HIS A 35 -1.665 -4.594 6.390 1.00 0.00 C ATOM 507 O HIS A 35 -2.741 -5.167 6.239 1.00 0.00 O ATOM 508 CB HIS A 35 -1.442 -2.020 6.424 1.00 0.00 C ATOM 509 CG HIS A 35 -2.738 -1.820 7.175 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.160 -2.666 8.120 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.694 -0.836 7.088 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.333 -2.227 8.602 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.709 -1.100 8.000 1.00 0.00 N ATOM 0 H HIS A 35 -2.852 -2.478 4.475 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.256 -3.413 5.346 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.623 -1.985 7.143 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.308 -1.177 5.746 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.671 -3.507 8.425 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.661 0.009 6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.898 -2.723 9.377 1.00 0.00 H new ATOM 521 N PRO A 36 -0.726 -5.027 7.235 1.00 0.00 N ATOM 522 CA PRO A 36 -0.856 -6.204 8.066 1.00 0.00 C ATOM 523 C PRO A 36 -1.985 -6.002 9.065 1.00 0.00 C ATOM 524 O PRO A 36 -2.016 -4.964 9.725 1.00 0.00 O ATOM 525 CB PRO A 36 0.489 -6.331 8.778 1.00 0.00 C ATOM 526 CG PRO A 36 1.451 -5.457 8.038 1.00 0.00 C ATOM 527 CD PRO A 36 0.552 -4.378 7.438 1.00 0.00 C ATOM 0 HA PRO A 36 -1.093 -7.102 7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.406 -6.020 9.820 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.830 -7.366 8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.202 -5.031 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.986 -6.010 7.266 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.459 -3.524 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.958 -4.003 6.499 1.00 0.00 H new ATOM 535 N VAL A 37 -2.879 -6.976 9.158 1.00 0.00 N ATOM 536 CA VAL A 37 -3.998 -6.880 10.080 1.00 0.00 C ATOM 537 C VAL A 37 -4.186 -8.224 10.787 1.00 0.00 C ATOM 538 O VAL A 37 -4.328 -9.258 10.136 1.00 0.00 O ATOM 539 CB VAL A 37 -5.251 -6.415 9.336 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.352 -6.009 10.317 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.925 -5.271 8.374 1.00 0.00 C ATOM 0 H VAL A 37 -2.851 -7.836 8.610 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.798 -6.133 10.848 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.620 -7.254 8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.232 -5.683 9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.614 -6.862 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.996 -5.193 10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.833 -4.960 7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.519 -4.429 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.190 -5.608 7.643 1.00 0.00 H new ATOM 551 N ASN A 38 -4.181 -8.165 12.111 1.00 0.00 N ATOM 552 CA ASN A 38 -4.350 -9.365 12.913 1.00 0.00 C ATOM 553 C ASN A 38 -3.179 -10.316 12.654 1.00 0.00 C ATOM 554 O ASN A 38 -3.354 -11.533 12.646 1.00 0.00 O ATOM 555 CB ASN A 38 -5.643 -10.096 12.546 1.00 0.00 C ATOM 556 CG ASN A 38 -6.717 -9.111 12.081 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.823 -8.026 12.844 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -7.404 -9.321 11.095 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.063 -7.306 12.648 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.390 -9.067 13.961 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.444 -10.821 11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.006 -10.655 13.408 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.271 -10.175 10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.111 -8.643 10.812 1.00 0.00 H new ATOM 565 N GLY A 39 -2.012 -9.723 12.449 1.00 0.00 N ATOM 566 CA GLY A 39 -0.813 -10.502 12.191 1.00 0.00 C ATOM 567 C GLY A 39 -1.010 -11.430 10.990 1.00 0.00 C ATOM 568 O GLY A 39 -0.862 -12.646 11.110 1.00 0.00 O ATOM 0 H GLY A 39 -1.871 -8.713 12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.027 -9.833 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.561 -11.091 13.073 1.00 0.00 H new ATOM 572 N LYS A 40 -1.342 -10.822 9.861 1.00 0.00 N ATOM 573 CA LYS A 40 -1.561 -11.579 8.640 1.00 0.00 C ATOM 574 C LYS A 40 -2.121 -10.649 7.562 1.00 0.00 C ATOM 575 O LYS A 40 -3.300 -10.300 7.590 1.00 0.00 O ATOM 576 CB LYS A 40 -2.441 -12.800 8.917 1.00 0.00 C ATOM 577 CG LYS A 40 -3.114 -13.293 7.635 1.00 0.00 C ATOM 578 CD LYS A 40 -4.176 -14.350 7.944 1.00 0.00 C ATOM 579 CE LYS A 40 -5.355 -14.242 6.975 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.587 -13.855 7.698 1.00 0.00 N ATOM 0 H LYS A 40 -1.465 -9.814 9.766 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.618 -11.974 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.836 -13.599 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.201 -12.545 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.573 -12.452 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.364 -13.712 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.735 -15.344 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.530 -14.227 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.133 -13.505 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.507 -15.196 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.377 -13.786 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.807 -14.572 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.444 -12.934 8.159 1.00 0.00 H new ATOM 594 N GLU A 41 -1.249 -10.274 6.638 1.00 0.00 N ATOM 595 CA GLU A 41 -1.642 -9.391 5.553 1.00 0.00 C ATOM 596 C GLU A 41 -3.124 -9.581 5.224 1.00 0.00 C ATOM 597 O GLU A 41 -3.572 -10.701 4.984 1.00 0.00 O ATOM 598 CB GLU A 41 -0.772 -9.622 4.316 1.00 0.00 C ATOM 599 CG GLU A 41 0.414 -8.655 4.291 1.00 0.00 C ATOM 600 CD GLU A 41 1.466 -9.103 3.276 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.049 -9.596 2.205 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.665 -8.944 3.592 1.00 0.00 O ATOM 0 H GLU A 41 -0.272 -10.565 6.618 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.491 -8.361 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.408 -10.649 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.372 -9.491 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.065 -7.653 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.862 -8.598 5.283 1.00 0.00 H new ATOM 609 N ASP A 42 -3.845 -8.469 5.223 1.00 0.00 N ATOM 610 CA ASP A 42 -5.267 -8.499 4.927 1.00 0.00 C ATOM 611 C ASP A 42 -5.521 -7.797 3.592 1.00 0.00 C ATOM 612 O ASP A 42 -4.855 -6.832 3.224 1.00 0.00 O ATOM 613 CB ASP A 42 -6.069 -7.768 6.005 1.00 0.00 C ATOM 614 CG ASP A 42 -7.040 -8.647 6.797 1.00 0.00 C ATOM 615 OD1 ASP A 42 -6.599 -9.736 7.224 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.200 -8.210 6.956 1.00 0.00 O ATOM 0 H ASP A 42 -3.471 -7.541 5.423 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.581 -9.542 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.372 -7.303 6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.633 -6.963 5.534 1.00 0.00 H new ATOM 621 N TYR A 43 -6.514 -8.312 2.863 1.00 0.00 N ATOM 622 CA TYR A 43 -6.878 -7.762 1.573 1.00 0.00 C ATOM 623 C TYR A 43 -8.389 -7.589 1.494 1.00 0.00 C ATOM 624 O TYR A 43 -8.927 -7.566 0.389 1.00 0.00 O ATOM 625 CB TYR A 43 -6.382 -8.690 0.468 1.00 0.00 C ATOM 626 CG TYR A 43 -4.915 -8.522 0.154 1.00 0.00 C ATOM 627 CD1 TYR A 43 -3.952 -8.818 1.126 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.517 -8.071 -1.111 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.592 -8.662 0.835 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.157 -7.915 -1.402 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.194 -8.210 -0.429 1.00 0.00 C ATOM 632 OH TYR A 43 -0.869 -8.058 -0.713 1.00 0.00 O ATOM 0 H TYR A 43 -7.077 -9.112 3.153 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.413 -6.784 1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.566 -9.723 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.962 -8.508 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.259 -9.167 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.259 -7.844 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.850 -8.890 1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.850 -7.567 -2.377 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.757 -7.349 -1.380 1.00 0.00 H new ATOM 642 N ARG A 44 -9.033 -7.471 2.646 1.00 0.00 N ATOM 643 CA ARG A 44 -10.476 -7.301 2.682 1.00 0.00 C ATOM 644 C ARG A 44 -10.835 -5.814 2.680 1.00 0.00 C ATOM 645 O ARG A 44 -9.965 -4.961 2.851 1.00 0.00 O ATOM 646 CB ARG A 44 -11.078 -7.962 3.924 1.00 0.00 C ATOM 647 CG ARG A 44 -10.522 -9.374 4.116 1.00 0.00 C ATOM 648 CD ARG A 44 -11.171 -10.059 5.321 1.00 0.00 C ATOM 649 NE ARG A 44 -10.179 -10.218 6.408 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.501 -10.384 7.708 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.794 -10.415 8.095 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.533 -10.516 8.596 1.00 0.00 N ATOM 0 H ARG A 44 -8.582 -7.490 3.561 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.888 -7.780 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.859 -7.358 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.163 -8.004 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.701 -9.965 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.442 -9.328 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.017 -9.469 5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.562 -11.034 5.029 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.190 -10.201 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.536 -10.313 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.029 -10.541 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.559 -10.492 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.760 -10.642 9.582 1.00 0.00 H new ATOM 665 N LYS A 45 -12.118 -5.548 2.484 1.00 0.00 N ATOM 666 CA LYS A 45 -12.603 -4.178 2.458 1.00 0.00 C ATOM 667 C LYS A 45 -11.849 -3.355 3.504 1.00 0.00 C ATOM 668 O LYS A 45 -11.561 -3.844 4.595 1.00 0.00 O ATOM 669 CB LYS A 45 -14.123 -4.145 2.629 1.00 0.00 C ATOM 670 CG LYS A 45 -14.806 -5.102 1.650 1.00 0.00 C ATOM 671 CD LYS A 45 -15.199 -6.408 2.343 1.00 0.00 C ATOM 672 CE LYS A 45 -16.698 -6.678 2.195 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.149 -7.663 3.203 1.00 0.00 N ATOM 0 H LYS A 45 -12.837 -6.258 2.342 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.404 -3.722 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.383 -4.418 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.489 -3.131 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.693 -4.627 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.136 -5.315 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.633 -7.235 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.938 -6.356 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.254 -5.748 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.909 -7.052 1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.168 -7.835 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.631 -8.555 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.965 -7.292 4.157 1.00 0.00 H new ATOM 687 N CYS A 46 -11.550 -2.118 3.133 1.00 0.00 N ATOM 688 CA CYS A 46 -10.834 -1.222 4.026 1.00 0.00 C ATOM 689 C CYS A 46 -11.680 -1.021 5.285 1.00 0.00 C ATOM 690 O CYS A 46 -11.161 -1.071 6.399 1.00 0.00 O ATOM 691 CB CYS A 46 -10.501 0.107 3.345 1.00 0.00 C ATOM 692 SG CYS A 46 -9.128 0.028 2.137 1.00 0.00 S ATOM 0 H CYS A 46 -11.790 -1.716 2.227 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.877 -1.666 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.393 0.472 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.250 0.839 4.112 1.00 0.00 H new ATOM 697 N GLY A 47 -12.968 -0.800 5.065 1.00 0.00 N ATOM 698 CA GLY A 47 -13.890 -0.592 6.169 1.00 0.00 C ATOM 699 C GLY A 47 -14.206 -1.912 6.875 1.00 0.00 C ATOM 700 O GLY A 47 -13.563 -2.259 7.865 1.00 0.00 O ATOM 0 H GLY A 47 -13.395 -0.760 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.458 0.111 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.812 -0.144 5.798 1.00 0.00 H new ATOM 704 N THR A 48 -15.195 -2.611 6.339 1.00 0.00 N ATOM 705 CA THR A 48 -15.604 -3.885 6.907 1.00 0.00 C ATOM 706 C THR A 48 -15.935 -3.726 8.392 1.00 0.00 C ATOM 707 O THR A 48 -15.618 -2.703 8.996 1.00 0.00 O ATOM 708 CB THR A 48 -14.492 -4.901 6.638 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.596 -4.213 5.769 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.975 -6.092 5.808 1.00 0.00 C ATOM 0 H THR A 48 -15.725 -2.320 5.518 1.00 0.00 H new ATOM 0 HA THR A 48 -16.519 -4.250 6.440 1.00 0.00 H new ATOM 0 HB THR A 48 -14.090 -5.259 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.750 -4.705 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.147 -6.782 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.776 -6.605 6.340 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.346 -5.738 4.846 1.00 0.00 H new ATOM 718 N ALA A 49 -16.570 -4.753 8.937 1.00 0.00 N ATOM 719 CA ALA A 49 -16.948 -4.740 10.340 1.00 0.00 C ATOM 720 C ALA A 49 -15.793 -5.288 11.180 1.00 0.00 C ATOM 721 O ALA A 49 -15.358 -6.421 10.980 1.00 0.00 O ATOM 722 CB ALA A 49 -18.238 -5.542 10.529 1.00 0.00 C ATOM 0 H ALA A 49 -16.832 -5.600 8.432 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.145 -3.722 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.522 -5.532 11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.035 -5.095 9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.078 -6.571 10.206 1.00 0.00 H new ATOM 728 N GLY A 50 -15.328 -4.458 12.102 1.00 0.00 N ATOM 729 CA GLY A 50 -14.232 -4.845 12.974 1.00 0.00 C ATOM 730 C GLY A 50 -13.012 -3.949 12.750 1.00 0.00 C ATOM 731 O GLY A 50 -12.089 -3.937 13.563 1.00 0.00 O ATOM 0 H GLY A 50 -15.690 -3.518 12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.550 -4.780 14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.963 -5.885 12.787 1.00 0.00 H new ATOM 735 N CYS A 51 -13.047 -3.221 11.644 1.00 0.00 N ATOM 736 CA CYS A 51 -11.955 -2.324 11.303 1.00 0.00 C ATOM 737 C CYS A 51 -12.512 -0.902 11.211 1.00 0.00 C ATOM 738 O CYS A 51 -13.338 -0.495 12.025 1.00 0.00 O ATOM 739 CB CYS A 51 -11.257 -2.749 10.010 1.00 0.00 C ATOM 740 SG CYS A 51 -11.087 -4.570 9.959 1.00 0.00 S ATOM 0 H CYS A 51 -13.814 -3.234 10.972 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.192 -2.364 12.080 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.829 -2.405 9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.274 -2.282 9.947 1.00 0.00 H new ATOM 745 N HIS A 52 -12.035 -0.175 10.200 1.00 0.00 N ATOM 746 CA HIS A 52 -12.449 1.202 9.951 1.00 0.00 C ATOM 747 C HIS A 52 -13.962 1.248 9.672 1.00 0.00 C ATOM 748 O HIS A 52 -14.380 1.183 8.517 1.00 0.00 O ATOM 749 CB HIS A 52 -11.581 1.786 8.828 1.00 0.00 C ATOM 750 CG HIS A 52 -10.086 1.609 8.961 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.330 2.418 9.709 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.230 0.683 8.414 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.052 2.012 9.631 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.935 0.944 8.844 1.00 0.00 N ATOM 0 H HIS A 52 -11.350 -0.527 9.531 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.291 1.831 10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.894 1.334 7.887 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.792 2.853 8.755 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.668 3.214 10.251 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.519 -0.121 7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.227 2.489 10.140 1.00 0.00 H new ATOM 762 N ASP A 53 -14.734 1.359 10.744 1.00 0.00 N ATOM 763 CA ASP A 53 -16.181 1.415 10.622 1.00 0.00 C ATOM 764 C ASP A 53 -16.672 2.797 11.057 1.00 0.00 C ATOM 765 O ASP A 53 -17.844 2.967 11.390 1.00 0.00 O ATOM 766 CB ASP A 53 -16.849 0.371 11.519 1.00 0.00 C ATOM 767 CG ASP A 53 -16.994 0.778 12.987 1.00 0.00 C ATOM 768 OD1 ASP A 53 -15.941 1.004 13.620 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.156 0.853 13.443 1.00 0.00 O ATOM 0 H ASP A 53 -14.384 1.412 11.701 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.440 1.216 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.839 0.150 11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.272 -0.552 11.469 1.00 0.00 H new ATOM 774 N SER A 54 -15.751 3.749 11.041 1.00 0.00 N ATOM 775 CA SER A 54 -16.075 5.111 11.430 1.00 0.00 C ATOM 776 C SER A 54 -16.388 5.949 10.189 1.00 0.00 C ATOM 777 O SER A 54 -15.531 6.132 9.326 1.00 0.00 O ATOM 778 CB SER A 54 -14.931 5.745 12.224 1.00 0.00 C ATOM 779 OG SER A 54 -14.927 7.166 12.113 1.00 0.00 O ATOM 0 H SER A 54 -14.780 3.604 10.765 1.00 0.00 H new ATOM 0 HA SER A 54 -16.955 5.083 12.073 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.019 5.464 13.273 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.980 5.351 11.867 1.00 0.00 H new ATOM 0 HG SER A 54 -14.183 7.533 12.635 1.00 0.00 H new ATOM 785 N MET A 55 -17.619 6.437 10.138 1.00 0.00 N ATOM 786 CA MET A 55 -18.056 7.252 9.017 1.00 0.00 C ATOM 787 C MET A 55 -18.781 8.509 9.502 1.00 0.00 C ATOM 788 O MET A 55 -19.943 8.728 9.166 1.00 0.00 O ATOM 789 CB MET A 55 -18.993 6.434 8.126 1.00 0.00 C ATOM 790 CG MET A 55 -18.366 5.086 7.762 1.00 0.00 C ATOM 791 SD MET A 55 -18.195 4.951 5.991 1.00 0.00 S ATOM 792 CE MET A 55 -18.103 3.176 5.823 1.00 0.00 C ATOM 0 H MET A 55 -18.328 6.284 10.855 1.00 0.00 H new ATOM 0 HA MET A 55 -17.177 7.559 8.451 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.940 6.271 8.641 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.216 6.993 7.217 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.390 4.989 8.238 1.00 0.00 H new ATOM 0 HG3 MET A 55 -18.987 4.273 8.139 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.994 2.915 4.770 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.244 2.802 6.381 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.015 2.726 6.215 1.00 0.00 H new ATOM 802 N ASP A 56 -18.064 9.301 10.285 1.00 0.00 N ATOM 803 CA ASP A 56 -18.624 10.531 10.820 1.00 0.00 C ATOM 804 C ASP A 56 -17.706 11.702 10.464 1.00 0.00 C ATOM 805 O ASP A 56 -16.791 11.554 9.655 1.00 0.00 O ATOM 806 CB ASP A 56 -18.738 10.467 12.345 1.00 0.00 C ATOM 807 CG ASP A 56 -19.936 11.213 12.935 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.379 12.182 12.282 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.382 10.797 14.027 1.00 0.00 O ATOM 0 H ASP A 56 -17.100 9.115 10.562 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.616 10.665 10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.796 9.421 12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.825 10.874 12.780 1.00 0.00 H new ATOM 814 N LYS A 57 -17.982 12.839 11.085 1.00 0.00 N ATOM 815 CA LYS A 57 -17.193 14.035 10.843 1.00 0.00 C ATOM 816 C LYS A 57 -16.666 14.571 12.176 1.00 0.00 C ATOM 817 O LYS A 57 -17.340 15.352 12.845 1.00 0.00 O ATOM 818 CB LYS A 57 -18.002 15.059 10.045 1.00 0.00 C ATOM 819 CG LYS A 57 -17.099 15.860 9.105 1.00 0.00 C ATOM 820 CD LYS A 57 -16.351 14.934 8.143 1.00 0.00 C ATOM 821 CE LYS A 57 -14.861 14.878 8.483 1.00 0.00 C ATOM 822 NZ LYS A 57 -14.366 13.485 8.416 1.00 0.00 N ATOM 0 H LYS A 57 -18.741 12.958 11.756 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.325 13.800 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.772 14.548 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.513 15.737 10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.699 16.572 8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.383 16.439 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.777 13.932 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.481 15.285 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.300 15.503 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.694 15.282 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.350 13.488 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.517 13.018 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.882 12.968 7.675 1.00 0.00 H new ATOM 836 N LYS A 58 -15.466 14.129 12.522 1.00 0.00 N ATOM 837 CA LYS A 58 -14.840 14.554 13.762 1.00 0.00 C ATOM 838 C LYS A 58 -13.678 13.615 14.091 1.00 0.00 C ATOM 839 O LYS A 58 -12.530 13.903 13.757 1.00 0.00 O ATOM 840 CB LYS A 58 -15.882 14.658 14.879 1.00 0.00 C ATOM 841 CG LYS A 58 -16.219 16.120 15.179 1.00 0.00 C ATOM 842 CD LYS A 58 -17.544 16.233 15.936 1.00 0.00 C ATOM 843 CE LYS A 58 -18.059 17.673 15.930 1.00 0.00 C ATOM 844 NZ LYS A 58 -16.928 18.628 15.925 1.00 0.00 N ATOM 0 H LYS A 58 -14.910 13.480 11.965 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.420 15.554 13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.787 14.125 14.588 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.504 14.176 15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.419 16.567 15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.280 16.682 14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.285 15.576 15.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.409 15.896 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.686 17.838 15.053 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.684 17.845 16.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.273 19.577 16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.215 18.325 16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.500 18.654 14.978 1.00 0.00 H new ATOM 858 N ASP A 59 -14.017 12.512 14.742 1.00 0.00 N ATOM 859 CA ASP A 59 -13.016 11.529 15.120 1.00 0.00 C ATOM 860 C ASP A 59 -12.129 11.220 13.911 1.00 0.00 C ATOM 861 O ASP A 59 -12.630 10.887 12.839 1.00 0.00 O ATOM 862 CB ASP A 59 -13.670 10.222 15.572 1.00 0.00 C ATOM 863 CG ASP A 59 -12.780 8.982 15.466 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.515 8.571 14.315 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.385 8.473 16.537 1.00 0.00 O ATOM 0 H ASP A 59 -14.971 12.277 15.017 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.431 11.942 15.942 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.990 10.333 16.608 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.568 10.058 14.976 1.00 0.00 H new ATOM 870 N LYS A 60 -10.828 11.341 14.126 1.00 0.00 N ATOM 871 CA LYS A 60 -9.867 11.079 13.068 1.00 0.00 C ATOM 872 C LYS A 60 -8.967 9.913 13.480 1.00 0.00 C ATOM 873 O LYS A 60 -7.915 9.694 12.881 1.00 0.00 O ATOM 874 CB LYS A 60 -9.098 12.354 12.714 1.00 0.00 C ATOM 875 CG LYS A 60 -10.020 13.575 12.739 1.00 0.00 C ATOM 876 CD LYS A 60 -9.369 14.768 12.036 1.00 0.00 C ATOM 877 CE LYS A 60 -9.697 16.076 12.759 1.00 0.00 C ATOM 878 NZ LYS A 60 -11.113 16.089 13.189 1.00 0.00 N ATOM 0 H LYS A 60 -10.416 11.617 15.017 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.380 10.779 12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.280 12.497 13.420 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.652 12.251 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.964 13.332 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.252 13.839 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.289 14.629 12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.717 14.821 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.046 16.192 13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.503 16.922 12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.573 16.954 12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.601 15.257 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.161 16.065 14.228 1.00 0.00 H new ATOM 892 N SER A 61 -9.413 9.193 14.499 1.00 0.00 N ATOM 893 CA SER A 61 -8.661 8.055 14.998 1.00 0.00 C ATOM 894 C SER A 61 -8.430 7.046 13.872 1.00 0.00 C ATOM 895 O SER A 61 -8.952 7.209 12.771 1.00 0.00 O ATOM 896 CB SER A 61 -9.385 7.387 16.169 1.00 0.00 C ATOM 897 OG SER A 61 -8.828 6.114 16.485 1.00 0.00 O ATOM 0 H SER A 61 -10.287 9.376 14.993 1.00 0.00 H new ATOM 0 HA SER A 61 -7.697 8.414 15.359 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.331 8.034 17.045 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.441 7.270 15.923 1.00 0.00 H new ATOM 0 HG SER A 61 -9.316 5.721 17.238 1.00 0.00 H new ATOM 903 N ALA A 62 -7.646 6.025 14.187 1.00 0.00 N ATOM 904 CA ALA A 62 -7.339 4.990 13.215 1.00 0.00 C ATOM 905 C ALA A 62 -8.644 4.421 12.653 1.00 0.00 C ATOM 906 O ALA A 62 -8.696 4.005 11.497 1.00 0.00 O ATOM 907 CB ALA A 62 -6.469 3.915 13.871 1.00 0.00 C ATOM 0 H ALA A 62 -7.214 5.893 15.102 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.773 5.403 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.239 3.138 13.142 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.542 4.365 14.227 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.006 3.476 14.712 1.00 0.00 H new ATOM 913 N LYS A 63 -9.664 4.421 13.498 1.00 0.00 N ATOM 914 CA LYS A 63 -10.965 3.910 13.100 1.00 0.00 C ATOM 915 C LYS A 63 -11.516 4.765 11.957 1.00 0.00 C ATOM 916 O LYS A 63 -12.229 4.262 11.090 1.00 0.00 O ATOM 917 CB LYS A 63 -11.899 3.823 14.309 1.00 0.00 C ATOM 918 CG LYS A 63 -11.711 2.500 15.054 1.00 0.00 C ATOM 919 CD LYS A 63 -12.742 1.464 14.601 1.00 0.00 C ATOM 920 CE LYS A 63 -13.618 1.015 15.771 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.838 0.180 16.712 1.00 0.00 N ATOM 0 H LYS A 63 -9.616 4.767 14.456 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.875 2.892 12.722 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.703 4.656 14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.934 3.915 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.705 2.119 14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.805 2.666 16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.368 1.888 13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.232 0.602 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.014 1.887 16.292 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.473 0.451 15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.448 -0.116 17.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.481 -0.661 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.037 0.730 17.082 1.00 0.00 H new ATOM 935 N GLY A 64 -11.165 6.042 11.993 1.00 0.00 N ATOM 936 CA GLY A 64 -11.616 6.971 10.971 1.00 0.00 C ATOM 937 C GLY A 64 -11.390 6.397 9.571 1.00 0.00 C ATOM 938 O GLY A 64 -10.266 6.155 9.138 1.00 0.00 O ATOM 0 H GLY A 64 -10.573 6.455 12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.675 7.187 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.081 7.916 11.071 1.00 0.00 H new ATOM 942 N TYR A 65 -12.501 6.183 8.863 1.00 0.00 N ATOM 943 CA TYR A 65 -12.457 5.642 7.519 1.00 0.00 C ATOM 944 C TYR A 65 -11.858 6.669 6.568 1.00 0.00 C ATOM 945 O TYR A 65 -10.987 6.342 5.766 1.00 0.00 O ATOM 946 CB TYR A 65 -13.868 5.257 7.081 1.00 0.00 C ATOM 947 CG TYR A 65 -13.901 4.413 5.830 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.868 3.504 5.571 1.00 0.00 C ATOM 949 CD2 TYR A 65 -14.965 4.539 4.929 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.899 2.720 4.412 1.00 0.00 C ATOM 951 CE2 TYR A 65 -14.996 3.755 3.769 1.00 0.00 C ATOM 952 CZ TYR A 65 -13.963 2.846 3.510 1.00 0.00 C ATOM 953 OH TYR A 65 -13.993 2.083 2.380 1.00 0.00 O ATOM 0 H TYR A 65 -13.441 6.379 9.207 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.829 4.751 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.355 4.713 7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.448 6.164 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.047 3.408 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.762 5.241 5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.103 2.018 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.817 3.852 3.074 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.334 2.618 1.633 1.00 0.00 H new ATOM 963 N TYR A 66 -12.329 7.915 6.660 1.00 0.00 N ATOM 964 CA TYR A 66 -11.840 8.980 5.808 1.00 0.00 C ATOM 965 C TYR A 66 -10.507 9.491 6.336 1.00 0.00 C ATOM 966 O TYR A 66 -9.913 10.364 5.704 1.00 0.00 O ATOM 967 CB TYR A 66 -12.870 10.104 5.760 1.00 0.00 C ATOM 968 CG TYR A 66 -12.270 11.459 5.466 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.500 12.109 6.437 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.485 12.064 4.222 1.00 0.00 C ATOM 971 CE1 TYR A 66 -10.945 13.365 6.164 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.930 13.320 3.949 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.160 13.970 4.920 1.00 0.00 C ATOM 974 OH TYR A 66 -10.619 15.194 4.655 1.00 0.00 O ATOM 0 H TYR A 66 -13.051 8.203 7.321 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.687 8.602 4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.614 9.872 4.998 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.394 10.147 6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.334 11.642 7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.079 11.562 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.351 13.867 6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.096 13.787 2.989 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.863 15.470 3.747 1.00 0.00 H new ATOM 984 N HIS A 67 -10.068 8.951 7.463 1.00 0.00 N ATOM 985 CA HIS A 67 -8.807 9.368 8.052 1.00 0.00 C ATOM 986 C HIS A 67 -7.702 8.392 7.643 1.00 0.00 C ATOM 987 O HIS A 67 -6.522 8.651 7.875 1.00 0.00 O ATOM 988 CB HIS A 67 -8.937 9.514 9.569 1.00 0.00 C ATOM 989 CG HIS A 67 -7.636 9.347 10.317 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.769 10.398 10.556 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.064 8.241 10.875 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.725 9.935 11.229 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.910 8.598 11.425 1.00 0.00 N ATOM 0 H HIS A 67 -10.563 8.228 7.984 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.533 10.353 7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.350 10.497 9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.651 8.776 9.935 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.480 7.244 10.870 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.877 10.514 11.563 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.267 7.975 11.914 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.123 7.289 7.041 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.185 6.273 6.598 1.00 0.00 C ATOM 1003 C VAL A 68 -7.083 6.309 5.072 1.00 0.00 C ATOM 1004 O VAL A 68 -6.575 5.373 4.457 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.603 4.903 7.137 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.427 4.834 8.655 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.042 4.572 6.736 1.00 0.00 C ATOM 0 H VAL A 68 -9.102 7.077 6.850 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.190 6.474 6.995 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.950 4.154 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.731 3.850 9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.381 5.004 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.044 5.598 9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.314 3.593 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.715 5.327 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.123 4.559 5.649 1.00 0.00 H new ATOM 1017 N MET A 69 -7.576 7.400 4.504 1.00 0.00 N ATOM 1018 CA MET A 69 -7.547 7.571 3.061 1.00 0.00 C ATOM 1019 C MET A 69 -7.478 9.052 2.685 1.00 0.00 C ATOM 1020 O MET A 69 -7.912 9.450 1.606 1.00 0.00 O ATOM 1021 CB MET A 69 -8.803 6.946 2.448 1.00 0.00 C ATOM 1022 CG MET A 69 -9.824 6.594 3.532 1.00 0.00 C ATOM 1023 SD MET A 69 -11.021 5.436 2.888 1.00 0.00 S ATOM 1024 CE MET A 69 -10.322 3.905 3.484 1.00 0.00 C ATOM 0 H MET A 69 -7.998 8.174 5.017 1.00 0.00 H new ATOM 0 HA MET A 69 -6.657 7.076 2.673 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.248 7.640 1.735 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.533 6.048 1.892 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.317 6.163 4.395 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.328 7.497 3.876 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.646 3.084 2.844 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.234 3.971 3.467 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.659 3.724 4.505 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.924 9.842 3.606 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.772 11.281 3.426 1.00 0.00 C ATOM 1036 C HIS A 70 -5.535 11.775 4.200 1.00 0.00 C ATOM 1037 O HIS A 70 -4.470 11.957 3.612 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.084 11.974 3.824 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.291 11.690 2.961 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.184 10.743 3.261 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.723 12.265 1.789 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.136 10.728 2.315 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.900 11.648 1.382 1.00 0.00 N ATOM 0 H HIS A 70 -6.568 9.499 4.498 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.589 11.535 2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.323 11.687 4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.913 13.051 3.826 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.148 10.131 4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.226 13.069 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.983 10.057 2.311 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.720 11.972 5.497 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.635 12.436 6.345 1.00 0.00 C ATOM 1053 C ASP A 71 -3.354 11.682 5.986 1.00 0.00 C ATOM 1054 O ASP A 71 -3.410 10.582 5.438 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.940 12.175 7.821 1.00 0.00 C ATOM 1056 CG ASP A 71 -4.542 13.304 8.774 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -4.476 14.456 8.292 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -4.314 12.991 9.962 1.00 0.00 O ATOM 0 H ASP A 71 -6.605 11.819 5.981 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.517 13.508 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.009 11.989 7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.426 11.264 8.127 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.229 12.302 6.309 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.936 11.703 6.027 1.00 0.00 C ATOM 1065 C LYS A 72 -0.150 11.557 7.332 1.00 0.00 C ATOM 1066 O LYS A 72 0.972 11.054 7.333 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.198 12.501 4.951 1.00 0.00 C ATOM 1068 CG LYS A 72 0.459 13.748 5.547 1.00 0.00 C ATOM 1069 CD LYS A 72 1.022 14.650 4.447 1.00 0.00 C ATOM 1070 CE LYS A 72 2.034 15.645 5.019 1.00 0.00 C ATOM 1071 NZ LYS A 72 2.059 16.883 4.208 1.00 0.00 N ATOM 0 H LYS A 72 -2.186 13.214 6.764 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.063 10.701 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.561 11.873 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.896 12.793 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.271 14.301 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.260 13.453 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.500 14.040 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.209 15.191 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.775 15.884 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.026 15.194 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.751 17.547 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.328 16.652 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.116 17.321 4.213 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.771 12.008 8.413 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.145 11.934 9.721 1.00 0.00 C ATOM 1087 C ASN A 73 -0.555 10.630 10.406 1.00 0.00 C ATOM 1088 O ASN A 73 -0.872 10.621 11.595 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.590 13.096 10.611 1.00 0.00 C ATOM 1090 CG ASN A 73 0.035 14.414 10.148 1.00 0.00 C ATOM 1091 OD1 ASN A 73 -0.351 14.995 9.147 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.019 14.849 10.929 1.00 0.00 N ATOM 0 H ASN A 73 -1.701 12.426 8.409 1.00 0.00 H new ATOM 0 HA ASN A 73 0.935 11.980 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.677 13.178 10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.304 12.897 11.644 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.501 15.719 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.292 14.312 11.753 1.00 0.00 H new ATOM 1099 N THR A 74 -0.538 9.558 9.627 1.00 0.00 N ATOM 1100 CA THR A 74 -0.904 8.251 10.144 1.00 0.00 C ATOM 1101 C THR A 74 0.270 7.278 10.015 1.00 0.00 C ATOM 1102 O THR A 74 1.225 7.545 9.287 1.00 0.00 O ATOM 1103 CB THR A 74 -2.161 7.786 9.407 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.848 7.979 8.030 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.357 8.709 9.649 1.00 0.00 C ATOM 0 H THR A 74 -0.276 9.568 8.641 1.00 0.00 H new ATOM 0 HA THR A 74 -1.132 8.297 11.209 1.00 0.00 H new ATOM 0 HB THR A 74 -2.413 6.774 9.724 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.918 7.124 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.223 8.334 9.103 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.584 8.738 10.715 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.117 9.714 9.302 1.00 0.00 H new ATOM 1113 N LYS A 75 0.161 6.170 10.733 1.00 0.00 N ATOM 1114 CA LYS A 75 1.202 5.156 10.708 1.00 0.00 C ATOM 1115 C LYS A 75 1.351 4.620 9.282 1.00 0.00 C ATOM 1116 O LYS A 75 2.466 4.383 8.818 1.00 0.00 O ATOM 1117 CB LYS A 75 0.916 4.070 11.746 1.00 0.00 C ATOM 1118 CG LYS A 75 2.130 3.157 11.933 1.00 0.00 C ATOM 1119 CD LYS A 75 1.716 1.808 12.523 1.00 0.00 C ATOM 1120 CE LYS A 75 2.783 0.743 12.259 1.00 0.00 C ATOM 1121 NZ LYS A 75 2.912 0.488 10.807 1.00 0.00 N ATOM 0 H LYS A 75 -0.632 5.952 11.336 1.00 0.00 H new ATOM 0 HA LYS A 75 2.162 5.588 10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.654 4.532 12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.056 3.478 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.624 3.002 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.854 3.639 12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.557 1.910 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.767 1.493 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.741 1.071 12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.519 -0.180 12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.364 -0.436 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.969 0.488 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.494 1.233 10.374 1.00 0.00 H new ATOM 1135 N PHE A 76 0.213 4.445 8.628 1.00 0.00 N ATOM 1136 CA PHE A 76 0.204 3.941 7.265 1.00 0.00 C ATOM 1137 C PHE A 76 -0.273 5.017 6.286 1.00 0.00 C ATOM 1138 O PHE A 76 -1.143 5.821 6.617 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.776 2.766 7.229 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.433 1.641 8.207 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.699 0.908 8.032 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.261 1.373 9.252 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.017 -0.136 8.940 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.943 0.329 10.161 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.189 -0.404 9.985 1.00 0.00 C ATOM 0 H PHE A 76 -0.709 4.643 9.016 1.00 0.00 H new ATOM 0 HA PHE A 76 1.210 3.641 6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.778 3.134 7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.803 2.359 6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.356 1.120 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.161 1.954 9.391 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.916 -0.717 8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.600 0.117 10.992 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.430 -1.199 10.675 1.00 0.00 H new ATOM 1155 N LYS A 77 0.318 4.996 5.101 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.035 5.960 4.072 1.00 0.00 C ATOM 1157 C LYS A 77 -1.532 5.856 3.774 1.00 0.00 C ATOM 1158 O LYS A 77 -2.149 4.823 4.030 1.00 0.00 O ATOM 1159 CB LYS A 77 0.851 5.776 2.839 1.00 0.00 C ATOM 1160 CG LYS A 77 2.312 5.560 3.240 1.00 0.00 C ATOM 1161 CD LYS A 77 3.261 6.109 2.173 1.00 0.00 C ATOM 1162 CE LYS A 77 4.397 6.913 2.809 1.00 0.00 C ATOM 1163 NZ LYS A 77 3.910 8.240 3.246 1.00 0.00 N ATOM 0 H LYS A 77 1.039 4.327 4.830 1.00 0.00 H new ATOM 0 HA LYS A 77 0.151 6.975 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.500 4.923 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.772 6.653 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.508 6.051 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.499 4.496 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.675 5.285 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.707 6.742 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.803 6.369 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.210 7.035 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.693 8.773 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.544 8.763 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.150 8.118 3.945 1.00 0.00 H new ATOM 1177 N SER A 78 -2.073 6.939 3.237 1.00 0.00 N ATOM 1178 CA SER A 78 -3.486 6.983 2.901 1.00 0.00 C ATOM 1179 C SER A 78 -3.662 7.014 1.382 1.00 0.00 C ATOM 1180 O SER A 78 -3.331 6.048 0.695 1.00 0.00 O ATOM 1181 CB SER A 78 -4.167 8.195 3.539 1.00 0.00 C ATOM 1182 OG SER A 78 -4.219 8.093 4.960 1.00 0.00 O ATOM 0 H SER A 78 -1.558 7.794 3.026 1.00 0.00 H new ATOM 0 HA SER A 78 -3.959 6.085 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.629 9.101 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.179 8.291 3.145 1.00 0.00 H new ATOM 0 HG SER A 78 -3.913 8.934 5.360 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.183 8.133 0.901 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.407 8.302 -0.525 1.00 0.00 C ATOM 1190 C CYS A 79 -3.985 9.721 -0.912 1.00 0.00 C ATOM 1191 O CYS A 79 -3.257 9.912 -1.885 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.860 8.015 -0.907 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.422 6.308 -0.562 1.00 0.00 S ATOM 0 H CYS A 79 -4.457 8.932 1.473 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.805 7.581 -1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.506 8.710 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.988 8.217 -1.971 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.461 10.680 -0.131 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.142 12.075 -0.380 1.00 0.00 C ATOM 1200 C VAL A 80 -2.689 12.341 0.019 1.00 0.00 C ATOM 1201 O VAL A 80 -2.022 13.185 -0.577 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.137 12.978 0.350 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.683 14.439 0.312 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.544 12.826 -0.231 1.00 0.00 C ATOM 0 H VAL A 80 -5.065 10.518 0.675 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.235 12.304 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.170 12.665 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.409 15.059 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.710 14.530 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.607 14.769 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.232 13.479 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.533 13.099 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.871 11.791 -0.128 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.241 11.605 1.026 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.880 11.750 1.511 1.00 0.00 C ATOM 1216 C GLY A 81 0.130 11.550 0.380 1.00 0.00 C ATOM 1217 O GLY A 81 0.779 12.501 -0.054 1.00 0.00 O ATOM 0 H GLY A 81 -2.797 10.906 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.750 12.740 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.693 11.024 2.303 1.00 0.00 H new ATOM 1221 N CYS A 82 0.233 10.306 -0.066 1.00 0.00 N ATOM 1222 CA CYS A 82 1.153 9.969 -1.139 1.00 0.00 C ATOM 1223 C CYS A 82 1.038 11.041 -2.225 1.00 0.00 C ATOM 1224 O CYS A 82 2.042 11.569 -2.698 1.00 0.00 O ATOM 1225 CB CYS A 82 0.889 8.567 -1.691 1.00 0.00 C ATOM 1226 SG CYS A 82 2.362 7.962 -2.592 1.00 0.00 S ATOM 0 H CYS A 82 -0.306 9.519 0.297 1.00 0.00 H new ATOM 0 HA CYS A 82 2.173 9.951 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.646 7.886 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.027 8.586 -2.358 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.208 11.337 -2.595 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.515 12.333 -3.615 1.00 0.00 C ATOM 1233 C HIS A 83 0.105 13.687 -3.225 1.00 0.00 C ATOM 1234 O HIS A 83 0.584 14.420 -4.089 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.036 12.373 -3.829 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.635 11.261 -4.658 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.716 11.437 -5.424 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.266 9.946 -4.814 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.008 10.278 -6.035 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.144 9.324 -5.693 1.00 0.00 N ATOM 0 H HIS A 83 -1.033 10.891 -2.194 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.071 12.070 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.517 12.365 -2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.288 13.323 -4.301 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.234 12.309 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.426 9.471 -4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.835 10.138 -6.715 1.00 0.00 H new ATOM 1248 N VAL A 84 0.077 13.972 -1.931 1.00 0.00 N ATOM 1249 CA VAL A 84 0.630 15.217 -1.427 1.00 0.00 C ATOM 1250 C VAL A 84 2.153 15.186 -1.565 1.00 0.00 C ATOM 1251 O VAL A 84 2.783 16.223 -1.769 1.00 0.00 O ATOM 1252 CB VAL A 84 0.165 15.451 0.012 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.831 16.693 0.608 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.359 15.558 0.085 1.00 0.00 C ATOM 0 H VAL A 84 -0.320 13.362 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 84 0.267 16.061 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 84 0.469 14.590 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.483 16.837 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.913 16.561 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.572 17.567 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.663 15.724 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.695 16.392 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.807 14.634 -0.281 1.00 0.00 H new ATOM 1264 N GLU A 85 2.702 13.986 -1.449 1.00 0.00 N ATOM 1265 CA GLU A 85 4.140 13.807 -1.559 1.00 0.00 C ATOM 1266 C GLU A 85 4.545 13.649 -3.026 1.00 0.00 C ATOM 1267 O GLU A 85 5.730 13.681 -3.353 1.00 0.00 O ATOM 1268 CB GLU A 85 4.608 12.609 -0.729 1.00 0.00 C ATOM 1269 CG GLU A 85 5.335 13.069 0.535 1.00 0.00 C ATOM 1270 CD GLU A 85 6.508 13.990 0.190 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.923 13.961 -0.989 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.963 14.700 1.112 1.00 0.00 O ATOM 0 H GLU A 85 2.177 13.128 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 85 4.629 14.697 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.751 11.994 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.271 11.984 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.638 13.592 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.699 12.201 1.085 1.00 0.00 H new ATOM 1279 N VAL A 86 3.537 13.483 -3.870 1.00 0.00 N ATOM 1280 CA VAL A 86 3.774 13.321 -5.295 1.00 0.00 C ATOM 1281 C VAL A 86 3.602 14.672 -5.993 1.00 0.00 C ATOM 1282 O VAL A 86 4.463 15.089 -6.765 1.00 0.00 O ATOM 1283 CB VAL A 86 2.854 12.236 -5.857 1.00 0.00 C ATOM 1284 CG1 VAL A 86 2.929 12.191 -7.385 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.182 10.870 -5.252 1.00 0.00 C ATOM 0 H VAL A 86 2.555 13.457 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 86 4.796 12.989 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 86 1.831 12.488 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.266 11.411 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.623 13.154 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.952 11.975 -7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.513 10.117 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.214 10.607 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.053 10.911 -4.170 1.00 0.00 H new ATOM 1295 N ALA A 87 2.484 15.317 -5.696 1.00 0.00 N ATOM 1296 CA ALA A 87 2.188 16.612 -6.285 1.00 0.00 C ATOM 1297 C ALA A 87 3.480 17.423 -6.399 1.00 0.00 C ATOM 1298 O ALA A 87 3.746 18.032 -7.434 1.00 0.00 O ATOM 1299 CB ALA A 87 1.125 17.324 -5.446 1.00 0.00 C ATOM 0 H ALA A 87 1.772 14.967 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 87 1.784 16.493 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.903 18.295 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.217 16.721 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.496 17.464 -4.431 1.00 0.00 H new ATOM 1305 N GLY A 88 4.250 17.404 -5.321 1.00 0.00 N ATOM 1306 CA GLY A 88 5.508 18.130 -5.287 1.00 0.00 C ATOM 1307 C GLY A 88 5.270 19.633 -5.128 1.00 0.00 C ATOM 1308 O GLY A 88 5.242 20.147 -4.011 1.00 0.00 O ATOM 0 H GLY A 88 4.027 16.897 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.120 17.766 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.066 17.942 -6.204 1.00 0.00 H new ATOM 1312 N ALA A 89 5.103 20.296 -6.263 1.00 0.00 N ATOM 1313 CA ALA A 89 4.868 21.730 -6.265 1.00 0.00 C ATOM 1314 C ALA A 89 3.960 22.093 -7.442 1.00 0.00 C ATOM 1315 O ALA A 89 3.912 23.248 -7.860 1.00 0.00 O ATOM 1316 CB ALA A 89 6.208 22.467 -6.313 1.00 0.00 C ATOM 0 H ALA A 89 5.126 19.866 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 89 4.360 22.037 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.032 23.543 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.803 22.198 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.745 22.186 -7.219 1.00 0.00 H new ATOM 1322 N ASP A 90 3.263 21.083 -7.944 1.00 0.00 N ATOM 1323 CA ASP A 90 2.360 21.281 -9.064 1.00 0.00 C ATOM 1324 C ASP A 90 1.007 21.771 -8.543 1.00 0.00 C ATOM 1325 O ASP A 90 0.035 21.017 -8.525 1.00 0.00 O ATOM 1326 CB ASP A 90 2.129 19.973 -9.823 1.00 0.00 C ATOM 1327 CG ASP A 90 1.494 20.132 -11.206 1.00 0.00 C ATOM 1328 OD1 ASP A 90 0.665 21.057 -11.347 1.00 0.00 O ATOM 1329 OD2 ASP A 90 1.851 19.324 -12.090 1.00 0.00 O ATOM 0 H ASP A 90 3.306 20.126 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 90 2.810 22.013 -9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.085 19.462 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.491 19.328 -9.219 1.00 0.00 H new ATOM 1334 N ALA A 91 0.988 23.030 -8.130 1.00 0.00 N ATOM 1335 CA ALA A 91 -0.229 23.629 -7.610 1.00 0.00 C ATOM 1336 C ALA A 91 -1.378 23.366 -8.585 1.00 0.00 C ATOM 1337 O ALA A 91 -2.546 23.401 -8.198 1.00 0.00 O ATOM 1338 CB ALA A 91 0.000 25.122 -7.367 1.00 0.00 C ATOM 0 H ALA A 91 1.796 23.652 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.499 23.181 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.913 25.571 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.806 25.254 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.270 25.606 -8.305 1.00 0.00 H new ATOM 1344 N ALA A 92 -1.008 23.109 -9.831 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.994 22.841 -10.864 1.00 0.00 C ATOM 1346 C ALA A 92 -2.576 21.441 -10.657 1.00 0.00 C ATOM 1347 O ALA A 92 -3.793 21.266 -10.648 1.00 0.00 O ATOM 1348 CB ALA A 92 -1.348 23.006 -12.241 1.00 0.00 C ATOM 0 H ALA A 92 -0.039 23.081 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.817 23.553 -10.803 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.087 22.805 -13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.977 24.025 -12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.519 22.306 -12.340 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.678 20.480 -10.494 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.087 19.101 -10.287 1.00 0.00 C ATOM 1356 C LYS A 93 -2.583 18.931 -8.850 1.00 0.00 C ATOM 1357 O LYS A 93 -3.323 17.995 -8.551 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.955 18.144 -10.664 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.510 16.811 -11.172 1.00 0.00 C ATOM 1360 CD LYS A 93 -0.421 15.737 -11.194 1.00 0.00 C ATOM 1361 CE LYS A 93 0.742 16.153 -12.097 1.00 0.00 C ATOM 1362 NZ LYS A 93 0.238 16.645 -13.398 1.00 0.00 N ATOM 0 H LYS A 93 -0.669 20.629 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.919 18.848 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.331 18.599 -11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.317 17.970 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.332 16.488 -10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.918 16.941 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.056 15.564 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.841 14.795 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.328 16.932 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.408 15.305 -12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.967 16.508 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.619 16.117 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.011 17.657 -13.322 1.00 0.00 H new ATOM 1376 N LYS A 94 -2.155 19.851 -7.997 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.545 19.814 -6.598 1.00 0.00 C ATOM 1378 C LYS A 94 -4.067 19.935 -6.495 1.00 0.00 C ATOM 1379 O LYS A 94 -4.645 19.663 -5.444 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.789 20.880 -5.803 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.657 22.121 -5.585 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.545 21.958 -4.349 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.557 23.238 -3.511 1.00 0.00 C ATOM 1384 NZ LYS A 94 -3.784 22.921 -2.084 1.00 0.00 N ATOM 0 H LYS A 94 -1.542 20.626 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.269 18.859 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.484 20.472 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.879 21.157 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.021 22.998 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.278 22.294 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.561 21.711 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.184 21.126 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.609 23.764 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.339 23.907 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.789 23.801 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.699 22.439 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.023 22.300 -1.741 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.673 20.342 -7.601 1.00 0.00 N ATOM 1399 CA LYS A 95 -6.116 20.503 -7.648 1.00 0.00 C ATOM 1400 C LYS A 95 -6.732 19.321 -8.400 1.00 0.00 C ATOM 1401 O LYS A 95 -7.902 19.363 -8.779 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.485 21.866 -8.237 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.081 22.999 -7.291 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.274 23.904 -6.978 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.729 24.662 -8.227 1.00 0.00 C ATOM 1406 NZ LYS A 95 -9.030 24.143 -8.703 1.00 0.00 N ATOM 0 H LYS A 95 -4.190 20.565 -8.472 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.533 20.494 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.990 21.997 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.558 21.908 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.685 22.581 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.282 23.587 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.098 23.305 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.002 24.613 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.815 25.725 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.981 24.561 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.971 23.938 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.265 23.271 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.770 24.854 -8.536 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.917 18.295 -8.595 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.366 17.104 -9.295 1.00 0.00 C ATOM 1422 C ASP A 96 -6.068 15.871 -8.439 1.00 0.00 C ATOM 1423 O ASP A 96 -6.899 14.972 -8.328 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.637 16.941 -10.630 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.543 18.213 -11.474 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.386 19.108 -11.249 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.629 18.263 -12.326 1.00 0.00 O ATOM 0 H ASP A 96 -4.947 18.264 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.436 17.205 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.628 16.578 -10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.145 16.173 -11.213 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.878 15.869 -7.857 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.458 14.762 -7.015 1.00 0.00 C ATOM 1434 C LEU A 97 -5.054 14.936 -5.616 1.00 0.00 C ATOM 1435 O LEU A 97 -5.678 14.019 -5.084 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.934 14.630 -7.022 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.258 14.736 -8.390 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.813 14.237 -8.328 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.071 14.006 -9.461 1.00 0.00 C ATOM 0 H LEU A 97 -4.191 16.617 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.838 13.819 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.519 15.402 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.670 13.668 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.223 15.788 -8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.356 14.323 -9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.251 14.838 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.802 13.194 -8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.569 14.097 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.159 12.952 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.065 14.448 -9.527 1.00 0.00 H new ATOM 1451 N THR A 98 -4.841 16.120 -5.061 1.00 0.00 N ATOM 1452 CA THR A 98 -5.350 16.426 -3.734 1.00 0.00 C ATOM 1453 C THR A 98 -6.614 17.282 -3.832 1.00 0.00 C ATOM 1454 O THR A 98 -7.247 17.578 -2.820 1.00 0.00 O ATOM 1455 CB THR A 98 -4.225 17.092 -2.939 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.029 18.342 -3.595 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.885 16.371 -3.104 1.00 0.00 C ATOM 0 H THR A 98 -4.323 16.878 -5.505 1.00 0.00 H new ATOM 0 HA THR A 98 -5.649 15.520 -3.206 1.00 0.00 H new ATOM 0 HB THR A 98 -4.495 17.120 -1.883 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.521 18.347 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.121 16.884 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.980 15.343 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.598 16.372 -4.156 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.943 17.657 -5.060 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.120 18.473 -5.303 1.00 0.00 C ATOM 1467 C GLY A 99 -9.364 17.844 -4.672 1.00 0.00 C ATOM 1468 O GLY A 99 -9.449 16.624 -4.545 1.00 0.00 O ATOM 0 H GLY A 99 -6.415 17.411 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.966 19.471 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.271 18.589 -6.376 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.297 18.705 -4.295 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.532 18.249 -3.680 1.00 0.00 C ATOM 1474 C CYS A 100 -12.593 18.117 -4.775 1.00 0.00 C ATOM 1475 O CYS A 100 -13.325 17.130 -4.820 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.984 19.184 -2.557 1.00 0.00 C ATOM 1477 SG CYS A 100 -11.000 19.068 -1.019 1.00 0.00 S ATOM 0 H CYS A 100 -10.223 19.716 -4.403 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.371 17.278 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.944 20.211 -2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.026 18.969 -2.322 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.642 19.127 -5.631 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.601 19.137 -6.722 1.00 0.00 C ATOM 1484 C LYS A 101 -12.851 19.084 -8.055 1.00 0.00 C ATOM 1485 O LYS A 101 -11.903 19.837 -8.268 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.546 20.334 -6.595 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.240 20.628 -7.927 1.00 0.00 C ATOM 1488 CD LYS A 101 -15.901 19.369 -8.491 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.376 19.620 -8.808 1.00 0.00 C ATOM 1490 NZ LYS A 101 -17.540 20.895 -9.541 1.00 0.00 N ATOM 0 H LYS A 101 -12.033 19.944 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.237 18.253 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.294 20.132 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.986 21.211 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.991 21.405 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.513 21.013 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.380 19.054 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.813 18.555 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.771 18.798 -9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.953 19.649 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.325 20.808 -10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.748 21.659 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -16.663 21.115 -10.055 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.306 18.187 -8.918 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.689 18.026 -10.224 1.00 0.00 C ATOM 1506 C LYS A 102 -11.536 17.026 -10.120 1.00 0.00 C ATOM 1507 O LYS A 102 -10.963 16.626 -11.132 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.275 19.385 -10.792 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.460 19.424 -12.310 1.00 0.00 C ATOM 1510 CD LYS A 102 -11.912 20.727 -12.896 1.00 0.00 C ATOM 1511 CE LYS A 102 -10.809 20.447 -13.918 1.00 0.00 C ATOM 1512 NZ LYS A 102 -10.103 21.698 -14.275 1.00 0.00 N ATOM 0 H LYS A 102 -14.094 17.565 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.405 17.614 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.869 20.173 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.233 19.585 -10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.950 18.574 -12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.518 19.328 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.720 21.284 -13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.520 21.354 -12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.100 19.727 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.240 19.998 -14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.358 21.490 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.779 22.373 -14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.675 22.111 -13.422 1.00 0.00 H new ATOM 1526 N SER A 103 -11.231 16.650 -8.886 1.00 0.00 N ATOM 1527 CA SER A 103 -10.157 15.703 -8.637 1.00 0.00 C ATOM 1528 C SER A 103 -10.533 14.327 -9.190 1.00 0.00 C ATOM 1529 O SER A 103 -11.714 14.008 -9.321 1.00 0.00 O ATOM 1530 CB SER A 103 -9.845 15.607 -7.142 1.00 0.00 C ATOM 1531 OG SER A 103 -8.916 14.564 -6.857 1.00 0.00 O ATOM 0 H SER A 103 -11.708 16.984 -8.049 1.00 0.00 H new ATOM 0 HA SER A 103 -9.262 16.059 -9.146 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.441 16.558 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.768 15.432 -6.589 1.00 0.00 H new ATOM 0 HG SER A 103 -8.009 14.867 -7.071 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.506 13.549 -9.500 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.714 12.215 -10.036 1.00 0.00 C ATOM 1539 C LYS A 104 -10.513 11.384 -9.030 1.00 0.00 C ATOM 1540 O LYS A 104 -11.394 10.616 -9.414 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.378 11.583 -10.432 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.105 11.768 -11.926 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.569 13.172 -12.215 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.211 13.106 -12.917 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.373 12.658 -14.318 1.00 0.00 N ATOM 0 H LYS A 104 -8.528 13.817 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.303 12.260 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.572 12.034 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.388 10.520 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.384 11.023 -12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.022 11.602 -12.490 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.279 13.715 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.474 13.728 -11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.736 14.087 -12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.552 12.421 -12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.442 12.619 -14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.807 11.713 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.984 13.327 -14.828 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.177 11.566 -7.761 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.852 10.843 -6.697 1.00 0.00 C ATOM 1561 C CYS A 105 -12.295 11.346 -6.615 1.00 0.00 C ATOM 1562 O CYS A 105 -13.240 10.565 -6.699 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.120 10.988 -5.361 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.386 10.429 -5.534 1.00 0.00 S ATOM 0 H CYS A 105 -9.446 12.204 -7.446 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.852 9.776 -6.922 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.145 12.028 -5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.625 10.401 -4.594 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.424 12.663 -6.449 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.720 13.324 -6.349 1.00 0.00 C ATOM 1571 C HIS A 106 -13.975 14.162 -7.615 1.00 0.00 C ATOM 1572 O HIS A 106 -14.043 15.388 -7.542 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.769 14.127 -5.040 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.618 13.343 -3.757 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.509 12.427 -3.364 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.645 13.370 -2.786 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.107 11.905 -2.195 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.962 12.451 -1.793 1.00 0.00 N ATOM 0 H HIS A 106 -11.630 13.300 -6.380 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.534 12.601 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.982 14.880 -5.073 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.719 14.660 -5.003 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.356 12.167 -3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.772 14.005 -2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.643 11.141 -1.651 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.109 13.469 -8.736 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.355 14.135 -10.004 1.00 0.00 C ATOM 1588 C GLU A 107 -15.854 14.160 -10.308 1.00 0.00 C ATOM 1589 O GLU A 107 -16.255 14.283 -11.465 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.577 13.463 -11.137 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.775 14.492 -11.936 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.067 14.371 -13.434 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.211 13.986 -13.759 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -12.140 14.666 -14.218 1.00 0.00 O ATOM 0 H GLU A 107 -14.052 12.452 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.002 15.163 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.903 12.712 -10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.269 12.942 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.022 15.497 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.710 14.347 -11.757 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.306 -4.107 -3.781 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.757 -4.464 -3.350 1.00 0.00 C HETATM 1604 CHB HEC A 108 -5.071 -7.437 -4.489 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.938 -3.730 -4.080 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.668 -0.706 -3.118 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.651 -5.616 -3.920 1.00 0.00 N HETATM 1608 C1A HEC A 108 -8.010 -5.596 -3.659 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.558 -6.929 -3.752 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.538 -7.756 -4.067 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.350 -6.943 -4.173 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.584 -9.241 -4.278 1.00 0.00 C HETATM 1613 CAA HEC A 108 -10.000 -7.283 -3.530 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.677 -7.915 -4.743 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.641 -9.435 -4.660 1.00 0.00 C HETATM 1616 O1A HEC A 108 -10.534 -10.059 -5.738 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.719 -9.943 -3.521 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.832 -5.322 -4.212 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.902 -6.684 -4.448 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.579 -7.226 -4.649 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.709 -6.201 -4.536 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.483 -5.014 -4.264 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.277 -8.670 -4.929 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.213 -6.241 -4.662 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.311 -7.432 -5.460 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.095 -2.503 -3.774 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.725 -2.531 -3.967 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.158 -1.226 -3.723 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.176 -0.408 -3.383 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.384 -1.199 -3.414 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.700 -0.888 -3.838 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.113 1.050 -3.033 1.00 0.00 C HETATM 1633 CBC HEC A 108 -1.816 1.734 -3.455 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.893 -2.832 -3.366 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.817 -1.487 -3.052 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.111 -0.994 -2.641 1.00 0.00 C HETATM 1637 C3D HEC A 108 -8.970 -2.034 -2.705 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.216 -3.180 -3.155 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.400 0.420 -2.229 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.435 -2.043 -2.379 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.739 -1.953 -0.886 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.239 -1.998 -0.629 1.00 0.00 C HETATM 1643 O1D HEC A 108 -12.653 -1.442 0.411 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.942 -2.588 -1.477 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -7.789 0.679 -1.365 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.167 1.094 -3.053 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.454 0.515 -1.969 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.128 -1.502 -3.143 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.361 -1.081 -4.856 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.551 0.165 -3.599 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.636 -9.284 -4.103 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.775 -8.974 -5.850 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.201 -8.802 -5.038 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.937 -9.727 -3.368 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.263 -9.471 -5.099 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.586 -9.605 -4.520 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -10.252 -2.776 -0.362 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.325 -1.029 -0.482 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -0.972 1.249 -2.964 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -1.699 1.658 -4.536 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -1.848 2.785 -3.167 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.004 -8.358 -4.974 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.096 -7.400 -6.471 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.399 -7.389 -5.506 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.711 -7.575 -4.804 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -10.178 -7.585 -5.655 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -10.915 -1.207 -2.888 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.879 -2.956 -2.776 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.069 -7.972 -2.688 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.546 -6.382 -3.250 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.769 0.362 -2.927 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.854 -3.638 -4.019 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.991 -8.482 -4.787 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.836 -4.580 -3.252 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.883 -2.553 -1.204 1.00 0.00 H new HETATM 0 H2A HEC A 108 -10.925 -10.898 -3.602 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.356 -0.005 8.310 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.571 1.553 10.882 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.479 2.424 6.177 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.839 -1.823 5.833 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.339 -2.449 10.687 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.229 1.616 8.505 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.620 2.151 9.627 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.034 3.433 9.316 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.284 3.678 8.012 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.028 2.549 7.503 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.885 4.878 7.204 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.292 4.299 10.292 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.137 5.418 10.896 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.463 6.010 12.125 1.00 0.00 C HETATM 1691 O1A HEC A 109 -4.163 6.741 12.859 1.00 0.00 O HETATM 1692 O2A HEC A 109 -2.261 5.722 12.308 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.624 0.253 6.426 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.154 1.316 5.675 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.464 1.118 4.278 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.118 -0.058 4.180 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.220 -0.600 5.514 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.104 2.071 3.176 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.654 -0.716 2.942 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.606 -0.947 1.857 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.410 -1.770 8.305 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.075 -2.274 7.202 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.868 -3.422 7.576 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.686 -3.615 8.899 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.779 -2.589 9.358 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.720 -4.221 6.633 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.290 -4.679 9.769 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.052 -6.100 9.267 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.034 -0.380 10.372 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.511 -1.428 11.140 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.026 -1.317 12.495 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.258 -0.209 12.553 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.260 0.378 11.233 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.343 -2.280 13.602 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.523 0.346 13.738 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.192 -0.344 14.022 1.00 0.00 C HETATM 1717 CGD HEC A 109 -3.112 -0.805 15.471 1.00 0.00 C HETATM 1718 O1D HEC A 109 -3.592 -0.042 16.337 1.00 0.00 O HETATM 1719 O2D HEC A 109 -2.572 -1.912 15.685 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.421 -2.308 13.763 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -5.991 -3.275 13.330 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.848 -1.957 14.518 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.477 -3.574 6.190 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.095 -4.641 5.845 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.208 -5.029 7.179 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.572 3.038 3.364 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.021 2.193 3.139 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.457 1.676 2.223 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.323 5.774 7.643 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.799 4.969 7.200 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.243 4.763 6.181 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -3.074 -1.200 13.358 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.371 0.341 13.809 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.486 -6.212 8.274 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.981 -6.294 9.219 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.519 -6.810 9.950 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.180 0.009 1.553 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.816 -1.589 2.245 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.073 -1.426 0.996 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.296 6.199 10.153 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.119 5.031 11.167 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.342 1.409 13.575 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.159 0.262 14.619 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -2.907 3.673 11.097 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.430 4.739 9.790 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.670 -3.193 11.412 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.159 -2.468 5.015 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.286 3.252 5.495 1.00 0.00 H new HETATM 0 HHA HEC A 109 -3.956 2.028 11.646 1.00 0.00 H new HETATM 0 H2D HEC A 109 -2.578 -2.098 16.647 1.00 0.00 H new HETATM 0 H2A HEC A 109 -1.940 6.161 13.123 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.042 7.467 -6.179 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.825 8.545 -9.555 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.527 7.577 -6.541 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.399 6.144 -3.094 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.341 7.410 -6.032 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.396 7.965 -7.743 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.103 8.375 -9.032 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.321 8.606 -9.773 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.349 8.339 -8.940 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.778 7.939 -7.675 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.819 8.427 -9.229 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.383 9.060 -11.202 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.549 7.924 -12.207 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.593 8.086 -13.380 1.00 0.00 C HETATM 1766 O1A HEC A 110 -5.042 7.828 -14.518 1.00 0.00 O HETATM 1767 O2A HEC A 110 -3.431 8.465 -13.117 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.643 7.018 -5.049 1.00 0.00 N HETATM 1769 C1B HEC A 110 -5.987 7.034 -5.379 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.766 6.402 -4.341 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.902 6.004 -3.384 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.579 6.385 -3.820 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.258 6.241 -4.364 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.210 5.297 -2.096 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.250 4.188 -2.231 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.790 7.014 -4.832 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.082 6.580 -3.550 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.864 6.324 -2.818 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.164 6.601 -3.649 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.408 7.030 -4.903 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.800 5.841 -1.398 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.634 6.496 -3.366 1.00 0.00 C HETATM 1783 CBC HEC A 110 2.006 5.353 -2.425 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.562 7.904 -7.523 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.210 7.790 -7.252 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.566 8.123 -8.424 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.309 8.438 -9.402 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.635 8.303 -8.846 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.065 8.108 -8.494 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.007 8.854 -10.812 1.00 0.00 C HETATM 1791 CBD HEC A 110 0.137 10.362 -10.997 1.00 0.00 C HETATM 1792 CGD HEC A 110 1.267 10.913 -10.140 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.965 11.326 -9.000 1.00 0.00 O HETATM 1794 O2D HEC A 110 2.412 10.911 -10.641 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.470 8.808 -7.764 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.429 7.104 -8.275 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.385 8.400 -9.494 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.293 6.562 -0.746 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.303 4.877 -1.319 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.242 5.733 -1.097 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.729 7.223 -4.416 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.547 5.653 -5.235 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.583 5.730 -3.458 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.074 9.449 -9.509 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.070 7.753 -10.048 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.382 8.143 -8.340 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.329 10.586 -12.046 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -0.798 10.855 -10.732 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.504 5.492 -1.468 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.695 4.405 -2.864 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 3.085 5.345 -2.271 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.186 4.609 -2.598 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.891 3.436 -2.933 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.417 3.726 -1.258 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.366 6.969 -11.714 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.576 7.904 -12.571 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.915 8.369 -11.133 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.802 8.492 -11.465 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.214 9.756 -11.316 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.472 9.610 -11.438 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.428 7.406 -5.945 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.471 5.607 -2.148 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.605 7.733 -6.575 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.740 8.890 -10.586 1.00 0.00 H new HETATM 0 H2D HEC A 110 3.050 11.288 -10.000 1.00 0.00 H new HETATM 0 H2A HEC A 110 -2.851 8.304 -13.891 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.973 12.076 -0.253 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.200 9.767 1.071 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.678 14.600 1.380 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.575 14.349 -1.233 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.393 9.536 -1.959 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.624 12.163 0.940 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.363 11.101 1.432 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.341 11.569 2.385 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.198 12.909 2.473 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.131 13.283 1.575 1.00 0.00 C HETATM 1837 CMA HEC A 111 -15.978 13.866 3.327 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.314 10.693 3.118 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.289 10.871 4.634 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.657 10.592 5.240 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.810 9.493 5.815 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.525 11.483 5.118 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.650 14.050 0.087 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.540 14.943 0.657 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.124 16.301 0.396 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.987 16.235 -0.329 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.688 14.835 -0.523 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.851 17.528 0.863 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.158 17.371 -0.853 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.883 17.630 -0.055 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.243 11.919 -1.298 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.399 12.950 -1.675 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.439 12.481 -2.646 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.697 11.173 -2.860 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.819 10.819 -2.023 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.371 13.327 -3.275 1.00 0.00 C HETATM 1857 CAC HEC A 111 -7.981 10.229 -3.781 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.460 10.348 -3.733 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.269 10.076 -0.451 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.453 9.188 -1.129 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.857 7.828 -0.855 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.912 7.889 -0.016 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.172 9.286 0.239 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.195 6.606 -1.422 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.696 6.749 0.567 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.653 6.086 -0.419 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.527 5.052 0.278 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.727 4.997 -0.069 1.00 0.00 O HETATM 1869 O2D HEC A 111 -14.979 4.336 1.143 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.255 6.632 -2.510 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.149 6.584 -1.116 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.700 5.714 -1.052 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.833 14.154 -3.814 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.715 13.721 -2.499 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.789 12.721 -3.970 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.860 17.532 0.451 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.904 17.527 1.952 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.318 18.417 0.526 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.034 13.813 3.062 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -15.854 13.601 4.377 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.613 14.880 3.163 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.282 6.844 -0.886 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.085 5.608 -1.217 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.165 11.358 -4.016 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.110 10.138 -2.722 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.017 9.633 -4.426 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.142 17.870 0.976 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.255 16.739 -0.073 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.340 18.466 -0.497 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.550 10.199 5.070 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.979 11.887 4.879 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.001 5.998 0.944 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.266 7.113 1.422 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.320 10.901 2.754 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.099 9.651 2.881 1.00 0.00 H new HETATM 0 HHD HEC A 111 -9.978 8.762 -2.604 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.783 15.058 -1.475 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.258 15.408 1.826 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.918 9.045 1.459 1.00 0.00 H new HETATM 0 H2D HEC A 111 -14.935 4.824 1.992 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.408 11.110 5.323 1.00 0.00 H new