USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 878 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 40 SER OG : rot -28:sc= 0.957 USER MOD Set 1.2: A 52 ASN : amide:sc= -4.85! C(o=-3.9!,f=-7.5!) USER MOD Set 2.1: A 19 THR OG1 : rot -144:sc= -1.79 USER MOD Set 2.2: A 26 HIS : no HE2:sc= -6.57! C(o=-22!,f=-31!) USER MOD Set 2.3: A 31 ASN : amide:sc= -13.9! C(o=-22!,f=-28!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= -0.245 USER MOD Set 3.2: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= -0.936 (180deg=-1.18) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -141:sc= 0.115 (180deg=-0.0844) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -1:sc= -0.567 USER MOD Single : A 16 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.2!) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.016) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.805) USER MOD Single : A 33 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-3.8!) USER MOD Single : A 39 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.43) USER MOD Single : A 42 GLN : amide:sc= -0.816 K(o=-0.82,f=-6.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -150:sc= -0.402 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.44 USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.00342) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 0.581 (180deg=0.404) USER MOD Single : A 56 ASN : amide:sc= -1.33! C(o=-1.3!,f=-5.6!) USER MOD Single : A 62 ASN : amide:sc= -0.476 K(o=-0.48,f=-5.3!) USER MOD Single : A 63 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 161:sc= -1.65 (180deg=-3.13!) USER MOD Single : A 65 SER OG : rot 76:sc= 1.05 USER MOD Single : A 67 TYR OH : rot -29:sc= 1.09 USER MOD Single : A 69 THR OG1 : rot 96:sc= 0.145 USER MOD Single : A 70 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 76:sc= 0.299 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -147:sc= -0.226 (180deg=-1.52!) USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= -0.29 (180deg=-1.29!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Single : A 96 THR OG1 : rot 76:sc= 0.527 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -117:sc= -4.11! (180deg=-6.03!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.804 10.676 -0.085 1.00 0.00 N ATOM 2 CA THR A -5 -15.804 10.911 0.995 1.00 0.00 C ATOM 3 C THR A -5 -15.689 9.658 1.864 1.00 0.00 C ATOM 4 O THR A -5 -15.913 9.694 3.057 1.00 0.00 O ATOM 5 CB THR A -5 -16.256 12.091 1.861 1.00 0.00 C ATOM 6 OG1 THR A -5 -17.638 11.954 2.160 1.00 0.00 O ATOM 7 CG2 THR A -5 -16.023 13.399 1.104 1.00 0.00 C ATOM 0 H1 THR A -5 -16.470 11.112 -0.968 1.00 0.00 H new ATOM 0 H2 THR A -5 -16.926 9.653 -0.228 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.714 11.099 0.187 1.00 0.00 H new ATOM 0 HA THR A -5 -14.835 11.136 0.550 1.00 0.00 H new ATOM 0 HB THR A -5 -15.683 12.103 2.788 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.929 12.707 2.716 1.00 0.00 H new ATOM 0 HG21 THR A -5 -16.345 14.238 1.720 1.00 0.00 H new ATOM 0 HG22 THR A -5 -14.962 13.503 0.875 1.00 0.00 H new ATOM 0 HG23 THR A -5 -16.596 13.390 0.177 1.00 0.00 H new ATOM 17 N GLU A -4 -15.340 8.546 1.275 1.00 0.00 N ATOM 18 CA GLU A -4 -15.210 7.291 2.067 1.00 0.00 C ATOM 19 C GLU A -4 -14.122 7.468 3.128 1.00 0.00 C ATOM 20 O GLU A -4 -14.205 6.924 4.211 1.00 0.00 O ATOM 21 CB GLU A -4 -14.831 6.138 1.136 1.00 0.00 C ATOM 22 CG GLU A -4 -15.967 5.890 0.142 1.00 0.00 C ATOM 23 CD GLU A -4 -15.617 4.694 -0.746 1.00 0.00 C ATOM 24 OE1 GLU A -4 -14.487 4.239 -0.674 1.00 0.00 O ATOM 25 OE2 GLU A -4 -16.483 4.254 -1.484 1.00 0.00 O ATOM 0 H GLU A -4 -15.139 8.453 0.279 1.00 0.00 H new ATOM 0 HA GLU A -4 -16.160 7.068 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -13.911 6.376 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -14.638 5.236 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.897 5.699 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.128 6.777 -0.471 1.00 0.00 H new ATOM 32 N PHE A -3 -13.102 8.224 2.825 1.00 0.00 N ATOM 33 CA PHE A -3 -12.010 8.438 3.813 1.00 0.00 C ATOM 34 C PHE A -3 -11.620 9.918 3.829 1.00 0.00 C ATOM 35 O PHE A -3 -11.935 10.662 2.922 1.00 0.00 O ATOM 36 CB PHE A -3 -10.797 7.589 3.424 1.00 0.00 C ATOM 37 CG PHE A -3 -10.266 8.044 2.086 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.833 7.555 0.903 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.205 8.956 2.029 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.339 7.978 -0.337 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.711 9.379 0.789 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.278 8.890 -0.393 1.00 0.00 C ATOM 0 H PHE A -3 -12.979 8.703 1.933 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.353 8.144 4.805 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -10.020 7.678 4.184 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.078 6.537 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.651 6.852 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.768 9.333 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.776 7.601 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.893 10.082 0.745 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.897 9.216 -1.349 1.00 0.00 H new ATOM 52 N LYS A -2 -10.941 10.353 4.856 1.00 0.00 N ATOM 53 CA LYS A -2 -10.538 11.785 4.929 1.00 0.00 C ATOM 54 C LYS A -2 -9.227 11.984 4.165 1.00 0.00 C ATOM 55 O LYS A -2 -8.326 11.172 4.237 1.00 0.00 O ATOM 56 CB LYS A -2 -10.338 12.184 6.393 1.00 0.00 C ATOM 57 CG LYS A -2 -11.596 11.854 7.200 1.00 0.00 C ATOM 58 CD LYS A -2 -12.763 12.730 6.734 1.00 0.00 C ATOM 59 CE LYS A -2 -13.882 12.683 7.777 1.00 0.00 C ATOM 60 NZ LYS A -2 -14.949 13.654 7.403 1.00 0.00 N ATOM 0 H LYS A -2 -10.649 9.779 5.646 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.317 12.405 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -9.480 11.656 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.120 13.250 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.850 10.801 7.078 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -11.410 12.017 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.427 13.757 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.134 12.379 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -14.296 11.676 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.485 12.924 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -15.710 13.623 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.548 14.613 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -15.334 13.404 6.470 1.00 0.00 H new ATOM 74 N ALA A -1 -9.117 13.062 3.435 1.00 0.00 N ATOM 75 CA ALA A -1 -7.871 13.322 2.663 1.00 0.00 C ATOM 76 C ALA A -1 -7.145 14.534 3.251 1.00 0.00 C ATOM 77 O ALA A -1 -7.156 14.757 4.446 1.00 0.00 O ATOM 78 CB ALA A -1 -8.228 13.603 1.204 1.00 0.00 C ATOM 0 H ALA A -1 -9.840 13.775 3.341 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.221 12.449 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.317 13.794 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.744 12.740 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.878 14.476 1.150 1.00 0.00 H new ATOM 84 N GLY A 1 -6.515 15.319 2.421 1.00 0.00 N ATOM 85 CA GLY A 1 -5.788 16.516 2.932 1.00 0.00 C ATOM 86 C GLY A 1 -4.858 17.054 1.843 1.00 0.00 C ATOM 87 O GLY A 1 -5.193 17.974 1.125 1.00 0.00 O ATOM 0 H GLY A 1 -6.472 15.184 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.499 17.286 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.212 16.253 3.819 1.00 0.00 H new ATOM 91 N SER A 2 -3.693 16.481 1.712 1.00 0.00 N ATOM 92 CA SER A 2 -2.744 16.950 0.673 1.00 0.00 C ATOM 93 C SER A 2 -1.962 15.753 0.133 1.00 0.00 C ATOM 94 O SER A 2 -1.130 15.185 0.812 1.00 0.00 O ATOM 95 CB SER A 2 -1.775 17.959 1.286 1.00 0.00 C ATOM 96 OG SER A 2 -2.191 19.275 0.949 1.00 0.00 O ATOM 0 H SER A 2 -3.360 15.705 2.284 1.00 0.00 H new ATOM 0 HA SER A 2 -3.293 17.426 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.746 17.841 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.765 17.779 0.919 1.00 0.00 H new ATOM 0 HG SER A 2 -1.572 19.925 1.343 1.00 0.00 H new ATOM 102 N ALA A 3 -2.219 15.368 -1.084 1.00 0.00 N ATOM 103 CA ALA A 3 -1.488 14.210 -1.668 1.00 0.00 C ATOM 104 C ALA A 3 -0.003 14.556 -1.767 1.00 0.00 C ATOM 105 O ALA A 3 0.847 13.688 -1.816 1.00 0.00 O ATOM 106 CB ALA A 3 -2.044 13.909 -3.060 1.00 0.00 C ATOM 0 H ALA A 3 -2.904 15.805 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.615 13.332 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.510 13.061 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.105 13.669 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.914 14.782 -3.700 1.00 0.00 H new ATOM 112 N LYS A 4 0.312 15.819 -1.799 1.00 0.00 N ATOM 113 CA LYS A 4 1.739 16.231 -1.895 1.00 0.00 C ATOM 114 C LYS A 4 2.519 15.623 -0.729 1.00 0.00 C ATOM 115 O LYS A 4 3.598 15.089 -0.900 1.00 0.00 O ATOM 116 CB LYS A 4 1.812 17.755 -1.813 1.00 0.00 C ATOM 117 CG LYS A 4 0.995 18.362 -2.956 1.00 0.00 C ATOM 118 CD LYS A 4 0.563 19.780 -2.581 1.00 0.00 C ATOM 119 CE LYS A 4 -0.731 19.723 -1.760 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.238 21.106 -1.536 1.00 0.00 N ATOM 0 H LYS A 4 -0.359 16.586 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 4 2.167 15.886 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.427 18.098 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.849 18.085 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.588 18.382 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.119 17.745 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.349 20.271 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.408 20.374 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.481 19.130 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.547 19.232 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.116 21.068 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.524 21.658 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.429 21.558 -2.453 1.00 0.00 H new ATOM 134 N LYS A 5 1.977 15.691 0.457 1.00 0.00 N ATOM 135 CA LYS A 5 2.679 15.112 1.632 1.00 0.00 C ATOM 136 C LYS A 5 2.815 13.601 1.447 1.00 0.00 C ATOM 137 O LYS A 5 3.824 13.011 1.780 1.00 0.00 O ATOM 138 CB LYS A 5 1.870 15.403 2.892 1.00 0.00 C ATOM 139 CG LYS A 5 1.824 16.913 3.135 1.00 0.00 C ATOM 140 CD LYS A 5 1.111 17.196 4.459 1.00 0.00 C ATOM 141 CE LYS A 5 0.955 18.706 4.642 1.00 0.00 C ATOM 142 NZ LYS A 5 1.876 19.417 3.711 1.00 0.00 N ATOM 0 H LYS A 5 1.076 16.124 0.660 1.00 0.00 H new ATOM 0 HA LYS A 5 3.671 15.555 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.859 15.011 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.319 14.900 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.835 17.319 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.302 17.408 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.133 16.715 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.680 16.775 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.076 19.002 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.177 18.983 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.884 20.432 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.837 19.032 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.551 19.284 2.732 1.00 0.00 H new ATOM 156 N GLY A 6 1.802 12.972 0.920 1.00 0.00 N ATOM 157 CA GLY A 6 1.863 11.499 0.710 1.00 0.00 C ATOM 158 C GLY A 6 3.027 11.162 -0.219 1.00 0.00 C ATOM 159 O GLY A 6 3.679 10.147 -0.071 1.00 0.00 O ATOM 0 H GLY A 6 0.932 13.416 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.988 10.990 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.927 11.144 0.280 1.00 0.00 H new ATOM 163 N ALA A 7 3.293 12.003 -1.179 1.00 0.00 N ATOM 164 CA ALA A 7 4.413 11.727 -2.119 1.00 0.00 C ATOM 165 C ALA A 7 5.732 11.688 -1.345 1.00 0.00 C ATOM 166 O ALA A 7 6.568 10.835 -1.569 1.00 0.00 O ATOM 167 CB ALA A 7 4.476 12.828 -3.178 1.00 0.00 C ATOM 0 H ALA A 7 2.783 12.869 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 7 4.248 10.765 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.297 12.625 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.537 12.855 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.639 13.790 -2.693 1.00 0.00 H new ATOM 173 N THR A 8 5.924 12.602 -0.436 1.00 0.00 N ATOM 174 CA THR A 8 7.184 12.613 0.348 1.00 0.00 C ATOM 175 C THR A 8 7.292 11.318 1.152 1.00 0.00 C ATOM 176 O THR A 8 8.330 10.692 1.205 1.00 0.00 O ATOM 177 CB THR A 8 7.170 13.808 1.295 1.00 0.00 C ATOM 178 OG1 THR A 8 6.908 14.993 0.558 1.00 0.00 O ATOM 179 CG2 THR A 8 8.524 13.924 1.983 1.00 0.00 C ATOM 0 H THR A 8 5.261 13.341 -0.204 1.00 0.00 H new ATOM 0 HA THR A 8 8.039 12.690 -0.324 1.00 0.00 H new ATOM 0 HB THR A 8 6.392 13.669 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.897 15.761 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.516 14.778 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.724 13.014 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.303 14.063 1.233 1.00 0.00 H new ATOM 187 N LEU A 9 6.228 10.906 1.778 1.00 0.00 N ATOM 188 CA LEU A 9 6.280 9.646 2.564 1.00 0.00 C ATOM 189 C LEU A 9 6.428 8.465 1.607 1.00 0.00 C ATOM 190 O LEU A 9 7.114 7.500 1.889 1.00 0.00 O ATOM 191 CB LEU A 9 4.992 9.486 3.370 1.00 0.00 C ATOM 192 CG LEU A 9 5.138 8.294 4.317 1.00 0.00 C ATOM 193 CD1 LEU A 9 6.090 8.653 5.463 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.770 7.928 4.891 1.00 0.00 C ATOM 0 H LEU A 9 5.328 11.385 1.780 1.00 0.00 H new ATOM 0 HA LEU A 9 7.129 9.679 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.788 10.394 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.146 9.332 2.700 1.00 0.00 H new ATOM 0 HG LEU A 9 5.543 7.446 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.190 7.800 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.068 8.911 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.690 9.504 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.874 7.078 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.366 8.779 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.093 7.665 4.078 1.00 0.00 H new ATOM 206 N PHE A 10 5.776 8.529 0.480 1.00 0.00 N ATOM 207 CA PHE A 10 5.862 7.405 -0.490 1.00 0.00 C ATOM 208 C PHE A 10 7.316 7.195 -0.927 1.00 0.00 C ATOM 209 O PHE A 10 7.839 6.099 -0.879 1.00 0.00 O ATOM 210 CB PHE A 10 5.007 7.722 -1.720 1.00 0.00 C ATOM 211 CG PHE A 10 5.075 6.570 -2.700 1.00 0.00 C ATOM 212 CD1 PHE A 10 6.173 6.448 -3.564 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.038 5.630 -2.752 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.234 5.387 -4.477 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.099 4.569 -3.665 1.00 0.00 C ATOM 216 CZ PHE A 10 5.197 4.448 -4.527 1.00 0.00 C ATOM 0 H PHE A 10 5.188 9.310 0.190 1.00 0.00 H new ATOM 0 HA PHE A 10 5.496 6.497 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.974 7.897 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.361 8.637 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.973 7.173 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.191 5.723 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.080 5.294 -5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.299 3.844 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.243 3.630 -5.230 1.00 0.00 H new ATOM 226 N LYS A 11 7.971 8.238 -1.363 1.00 0.00 N ATOM 227 CA LYS A 11 9.382 8.099 -1.816 1.00 0.00 C ATOM 228 C LYS A 11 10.294 7.741 -0.639 1.00 0.00 C ATOM 229 O LYS A 11 11.355 7.177 -0.818 1.00 0.00 O ATOM 230 CB LYS A 11 9.841 9.416 -2.448 1.00 0.00 C ATOM 231 CG LYS A 11 9.832 10.525 -1.400 1.00 0.00 C ATOM 232 CD LYS A 11 10.225 11.851 -2.055 1.00 0.00 C ATOM 233 CE LYS A 11 10.508 12.893 -0.972 1.00 0.00 C ATOM 234 NZ LYS A 11 11.947 13.281 -1.021 1.00 0.00 N ATOM 0 H LYS A 11 7.587 9.181 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 11 9.441 7.297 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.843 9.302 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.184 9.681 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.842 10.608 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.527 10.285 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.107 11.712 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.424 12.198 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.878 13.770 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.262 12.489 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.141 13.990 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.539 12.441 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.167 13.683 -1.955 1.00 0.00 H new ATOM 248 N THR A 12 9.904 8.068 0.561 1.00 0.00 N ATOM 249 CA THR A 12 10.765 7.749 1.732 1.00 0.00 C ATOM 250 C THR A 12 10.747 6.245 2.033 1.00 0.00 C ATOM 251 O THR A 12 11.640 5.733 2.676 1.00 0.00 O ATOM 252 CB THR A 12 10.262 8.515 2.956 1.00 0.00 C ATOM 253 OG1 THR A 12 8.893 8.209 3.178 1.00 0.00 O ATOM 254 CG2 THR A 12 10.428 10.018 2.728 1.00 0.00 C ATOM 0 H THR A 12 9.028 8.542 0.781 1.00 0.00 H new ATOM 0 HA THR A 12 11.788 8.044 1.499 1.00 0.00 H new ATOM 0 HB THR A 12 10.842 8.221 3.831 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.582 7.584 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.068 10.561 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.481 10.247 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.853 10.319 1.852 1.00 0.00 H new ATOM 262 N ARG A 13 9.740 5.529 1.599 1.00 0.00 N ATOM 263 CA ARG A 13 9.706 4.067 1.907 1.00 0.00 C ATOM 264 C ARG A 13 9.109 3.269 0.738 1.00 0.00 C ATOM 265 O ARG A 13 9.743 2.398 0.180 1.00 0.00 O ATOM 266 CB ARG A 13 8.853 3.849 3.157 1.00 0.00 C ATOM 267 CG ARG A 13 9.457 4.631 4.326 1.00 0.00 C ATOM 268 CD ARG A 13 8.683 4.320 5.607 1.00 0.00 C ATOM 269 NE ARG A 13 9.169 5.200 6.706 1.00 0.00 N ATOM 270 CZ ARG A 13 10.263 4.898 7.351 1.00 0.00 C ATOM 271 NH1 ARG A 13 10.933 3.824 7.031 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.687 5.670 8.314 1.00 0.00 N ATOM 0 H ARG A 13 8.954 5.885 1.055 1.00 0.00 H new ATOM 0 HA ARG A 13 10.725 3.718 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.830 4.178 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.808 2.787 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.507 4.365 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.421 5.700 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.616 4.475 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.815 3.273 5.879 1.00 0.00 H new ATOM 0 HE ARG A 13 8.646 6.040 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.601 3.222 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.788 3.587 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.164 6.509 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.542 5.434 8.818 1.00 0.00 H new ATOM 286 N CYS A 14 7.892 3.553 0.376 1.00 0.00 N ATOM 287 CA CYS A 14 7.238 2.807 -0.744 1.00 0.00 C ATOM 288 C CYS A 14 8.207 2.657 -1.921 1.00 0.00 C ATOM 289 O CYS A 14 8.478 1.566 -2.380 1.00 0.00 O ATOM 290 CB CYS A 14 6.026 3.612 -1.204 1.00 0.00 C ATOM 291 SG CYS A 14 4.457 2.922 -0.592 1.00 0.00 S ATOM 0 H CYS A 14 7.314 4.274 0.808 1.00 0.00 H new ATOM 0 HA CYS A 14 6.944 1.815 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.125 4.641 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.006 3.641 -2.293 1.00 0.00 H new ATOM 296 N LEU A 15 8.716 3.746 -2.424 1.00 0.00 N ATOM 297 CA LEU A 15 9.651 3.672 -3.585 1.00 0.00 C ATOM 298 C LEU A 15 10.869 2.813 -3.236 1.00 0.00 C ATOM 299 O LEU A 15 11.397 2.105 -4.070 1.00 0.00 O ATOM 300 CB LEU A 15 10.112 5.084 -3.957 1.00 0.00 C ATOM 301 CG LEU A 15 10.979 5.028 -5.219 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.120 4.633 -6.424 1.00 0.00 C ATOM 303 CD2 LEU A 15 11.598 6.404 -5.468 1.00 0.00 C ATOM 0 H LEU A 15 8.525 4.688 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 15 9.131 3.218 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.248 5.726 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.678 5.521 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 15 11.767 4.287 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.743 4.595 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.676 3.653 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.329 5.370 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.216 6.368 -6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.806 7.140 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.214 6.686 -4.614 1.00 0.00 H new ATOM 315 N GLN A 16 11.334 2.881 -2.020 1.00 0.00 N ATOM 316 CA GLN A 16 12.531 2.081 -1.637 1.00 0.00 C ATOM 317 C GLN A 16 12.273 0.586 -1.856 1.00 0.00 C ATOM 318 O GLN A 16 13.161 -0.147 -2.246 1.00 0.00 O ATOM 319 CB GLN A 16 12.860 2.327 -0.162 1.00 0.00 C ATOM 320 CG GLN A 16 13.248 3.794 0.036 1.00 0.00 C ATOM 321 CD GLN A 16 13.526 4.052 1.518 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.162 3.260 2.364 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.161 5.136 1.871 1.00 0.00 N ATOM 0 H GLN A 16 10.938 3.455 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 16 13.370 2.389 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.999 2.080 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.677 1.678 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.131 4.031 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.446 4.444 -0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.467 5.802 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.351 5.318 2.857 1.00 0.00 H new ATOM 332 N CYS A 17 11.076 0.121 -1.599 1.00 0.00 N ATOM 333 CA CYS A 17 10.786 -1.334 -1.783 1.00 0.00 C ATOM 334 C CYS A 17 9.823 -1.552 -2.954 1.00 0.00 C ATOM 335 O CYS A 17 10.061 -2.378 -3.813 1.00 0.00 O ATOM 336 CB CYS A 17 10.170 -1.894 -0.499 1.00 0.00 C ATOM 337 SG CYS A 17 11.319 -1.638 0.884 1.00 0.00 S ATOM 0 H CYS A 17 10.290 0.683 -1.271 1.00 0.00 H new ATOM 0 HA CYS A 17 11.719 -1.852 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.220 -1.400 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.958 -2.957 -0.618 1.00 0.00 H new ATOM 342 N HIS A 18 8.737 -0.832 -2.999 1.00 0.00 N ATOM 343 CA HIS A 18 7.771 -1.026 -4.122 1.00 0.00 C ATOM 344 C HIS A 18 7.958 0.054 -5.179 1.00 0.00 C ATOM 345 O HIS A 18 8.323 1.172 -4.888 1.00 0.00 O ATOM 346 CB HIS A 18 6.330 -0.892 -3.637 1.00 0.00 C ATOM 347 CG HIS A 18 6.013 -1.869 -2.551 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.780 -3.221 -2.790 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.800 -1.679 -1.221 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.427 -3.779 -1.611 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.425 -2.871 -0.632 1.00 0.00 N ATOM 0 H HIS A 18 8.476 -0.123 -2.314 1.00 0.00 H new ATOM 0 HA HIS A 18 7.959 -2.021 -4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.162 0.122 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.649 -1.047 -4.474 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.861 -3.700 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.908 -0.737 -0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.179 -4.822 -1.478 1.00 0.00 H new ATOM 359 N THR A 19 7.645 -0.270 -6.397 1.00 0.00 N ATOM 360 CA THR A 19 7.725 0.732 -7.489 1.00 0.00 C ATOM 361 C THR A 19 6.348 0.793 -8.148 1.00 0.00 C ATOM 362 O THR A 19 5.615 -0.178 -8.145 1.00 0.00 O ATOM 363 CB THR A 19 8.785 0.313 -8.509 1.00 0.00 C ATOM 364 OG1 THR A 19 8.503 -1.000 -8.973 1.00 0.00 O ATOM 365 CG2 THR A 19 10.163 0.347 -7.848 1.00 0.00 C ATOM 0 H THR A 19 7.333 -1.197 -6.686 1.00 0.00 H new ATOM 0 HA THR A 19 8.007 1.710 -7.099 1.00 0.00 H new ATOM 0 HB THR A 19 8.774 1.000 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.343 -1.481 -9.123 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.921 0.049 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.373 1.357 -7.497 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.178 -0.341 -7.003 1.00 0.00 H new ATOM 373 N VAL A 20 5.973 1.912 -8.695 1.00 0.00 N ATOM 374 CA VAL A 20 4.624 2.003 -9.322 1.00 0.00 C ATOM 375 C VAL A 20 4.744 1.797 -10.834 1.00 0.00 C ATOM 376 O VAL A 20 5.378 0.868 -11.294 1.00 0.00 O ATOM 377 CB VAL A 20 4.018 3.378 -9.036 1.00 0.00 C ATOM 378 CG1 VAL A 20 3.820 3.547 -7.528 1.00 0.00 C ATOM 379 CG2 VAL A 20 4.961 4.469 -9.547 1.00 0.00 C ATOM 0 H VAL A 20 6.535 2.762 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 20 3.979 1.230 -8.904 1.00 0.00 H new ATOM 0 HB VAL A 20 3.056 3.460 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.388 4.527 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.148 2.771 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.782 3.463 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.529 5.449 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.923 4.385 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.104 4.352 -10.621 1.00 0.00 H new ATOM 389 N GLU A 21 4.133 2.651 -11.610 1.00 0.00 N ATOM 390 CA GLU A 21 4.207 2.494 -13.090 1.00 0.00 C ATOM 391 C GLU A 21 3.856 1.053 -13.460 1.00 0.00 C ATOM 392 O GLU A 21 3.590 0.232 -12.605 1.00 0.00 O ATOM 393 CB GLU A 21 5.627 2.813 -13.568 1.00 0.00 C ATOM 394 CG GLU A 21 5.956 4.276 -13.259 1.00 0.00 C ATOM 395 CD GLU A 21 5.005 5.191 -14.034 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.407 4.720 -14.988 1.00 0.00 O ATOM 397 OE2 GLU A 21 4.895 6.348 -13.663 1.00 0.00 O ATOM 0 H GLU A 21 3.587 3.449 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 21 3.504 3.177 -13.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.344 2.156 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.711 2.629 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.864 4.462 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.989 4.493 -13.532 1.00 0.00 H new ATOM 404 N LYS A 22 3.848 0.736 -14.724 1.00 0.00 N ATOM 405 CA LYS A 22 3.511 -0.655 -15.135 1.00 0.00 C ATOM 406 C LYS A 22 4.797 -1.467 -15.290 1.00 0.00 C ATOM 407 O LYS A 22 5.723 -1.059 -15.961 1.00 0.00 O ATOM 408 CB LYS A 22 2.764 -0.625 -16.472 1.00 0.00 C ATOM 409 CG LYS A 22 1.434 0.110 -16.298 1.00 0.00 C ATOM 410 CD LYS A 22 0.638 0.041 -17.602 1.00 0.00 C ATOM 411 CE LYS A 22 -0.632 0.883 -17.471 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.296 2.322 -17.663 1.00 0.00 N ATOM 0 H LYS A 22 4.059 1.377 -15.488 1.00 0.00 H new ATOM 0 HA LYS A 22 2.880 -1.115 -14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.371 -0.127 -17.228 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.587 -1.641 -16.824 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.862 -0.339 -15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.614 1.150 -16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.245 0.406 -18.430 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.379 -0.993 -17.828 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.368 0.568 -18.211 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.082 0.731 -16.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.172 2.882 -17.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.297 2.648 -16.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.221 2.441 -18.557 1.00 0.00 H new ATOM 426 N GLY A 23 4.863 -2.616 -14.673 1.00 0.00 N ATOM 427 CA GLY A 23 6.091 -3.452 -14.790 1.00 0.00 C ATOM 428 C GLY A 23 7.211 -2.836 -13.952 1.00 0.00 C ATOM 429 O GLY A 23 8.359 -2.819 -14.350 1.00 0.00 O ATOM 0 H GLY A 23 4.121 -3.011 -14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.886 -4.467 -14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.399 -3.520 -15.833 1.00 0.00 H new ATOM 433 N GLY A 24 6.888 -2.326 -12.797 1.00 0.00 N ATOM 434 CA GLY A 24 7.938 -1.708 -11.938 1.00 0.00 C ATOM 435 C GLY A 24 9.036 -2.739 -11.656 1.00 0.00 C ATOM 436 O GLY A 24 8.780 -3.926 -11.619 1.00 0.00 O ATOM 0 H GLY A 24 5.944 -2.310 -12.410 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.362 -0.835 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.500 -1.361 -11.002 1.00 0.00 H new ATOM 440 N PRO A 25 10.250 -2.293 -11.454 1.00 0.00 N ATOM 441 CA PRO A 25 11.399 -3.200 -11.163 1.00 0.00 C ATOM 442 C PRO A 25 11.336 -3.752 -9.738 1.00 0.00 C ATOM 443 O PRO A 25 10.957 -3.061 -8.813 1.00 0.00 O ATOM 444 CB PRO A 25 12.621 -2.299 -11.331 1.00 0.00 C ATOM 445 CG PRO A 25 12.131 -0.925 -11.026 1.00 0.00 C ATOM 446 CD PRO A 25 10.670 -0.880 -11.477 1.00 0.00 C ATOM 0 HA PRO A 25 11.411 -4.072 -11.816 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.423 -2.591 -10.654 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.020 -2.360 -12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.216 -0.709 -9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.723 -0.176 -11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.063 -0.272 -10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.572 -0.450 -12.474 1.00 0.00 H new ATOM 454 N HIS A 26 11.709 -4.985 -9.546 1.00 0.00 N ATOM 455 CA HIS A 26 11.670 -5.560 -8.174 1.00 0.00 C ATOM 456 C HIS A 26 13.005 -5.293 -7.478 1.00 0.00 C ATOM 457 O HIS A 26 13.743 -6.205 -7.164 1.00 0.00 O ATOM 458 CB HIS A 26 11.440 -7.071 -8.253 1.00 0.00 C ATOM 459 CG HIS A 26 10.046 -7.346 -8.730 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.929 -6.782 -8.131 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.573 -8.126 -9.750 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.846 -7.229 -8.796 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.187 -8.049 -9.789 1.00 0.00 N ATOM 0 H HIS A 26 12.038 -5.617 -10.276 1.00 0.00 H new ATOM 0 HA HIS A 26 10.858 -5.098 -7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.163 -7.523 -8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.596 -7.524 -7.274 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.928 -6.146 -7.334 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.184 -8.711 -10.421 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.829 -6.957 -8.554 1.00 0.00 H new ATOM 472 N LYS A 27 13.327 -4.051 -7.236 1.00 0.00 N ATOM 473 CA LYS A 27 14.622 -3.742 -6.565 1.00 0.00 C ATOM 474 C LYS A 27 14.723 -4.542 -5.266 1.00 0.00 C ATOM 475 O LYS A 27 15.762 -5.076 -4.933 1.00 0.00 O ATOM 476 CB LYS A 27 14.686 -2.247 -6.251 1.00 0.00 C ATOM 477 CG LYS A 27 16.027 -1.925 -5.593 1.00 0.00 C ATOM 478 CD LYS A 27 16.150 -0.414 -5.392 1.00 0.00 C ATOM 479 CE LYS A 27 15.129 0.051 -4.352 1.00 0.00 C ATOM 480 NZ LYS A 27 15.555 1.364 -3.790 1.00 0.00 N ATOM 0 H LYS A 27 12.753 -3.241 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 27 15.449 -4.011 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.568 -1.666 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.867 -1.968 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.105 -2.437 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.845 -2.287 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.158 -0.162 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.983 0.103 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.144 0.142 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.044 -0.687 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.249 1.433 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.591 1.443 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.123 2.134 -4.340 1.00 0.00 H new ATOM 494 N VAL A 28 13.649 -4.636 -4.536 1.00 0.00 N ATOM 495 CA VAL A 28 13.675 -5.410 -3.264 1.00 0.00 C ATOM 496 C VAL A 28 12.377 -6.209 -3.139 1.00 0.00 C ATOM 497 O VAL A 28 12.261 -7.308 -3.644 1.00 0.00 O ATOM 498 CB VAL A 28 13.796 -4.451 -2.081 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.710 -5.240 -0.773 1.00 0.00 C ATOM 500 CG2 VAL A 28 15.139 -3.722 -2.149 1.00 0.00 C ATOM 0 H VAL A 28 12.751 -4.209 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 28 14.529 -6.088 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 28 12.986 -3.723 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.796 -4.556 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.753 -5.759 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.520 -5.969 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.225 -3.038 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.950 -4.449 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.200 -3.159 -3.080 1.00 0.00 H new ATOM 510 N GLY A 29 11.400 -5.662 -2.473 1.00 0.00 N ATOM 511 CA GLY A 29 10.105 -6.384 -2.317 1.00 0.00 C ATOM 512 C GLY A 29 9.269 -6.208 -3.582 1.00 0.00 C ATOM 513 O GLY A 29 9.524 -5.334 -4.387 1.00 0.00 O ATOM 0 H GLY A 29 11.441 -4.745 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.287 -7.443 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.563 -5.998 -1.453 1.00 0.00 H new ATOM 517 N PRO A 30 8.271 -7.030 -3.751 1.00 0.00 N ATOM 518 CA PRO A 30 7.376 -6.965 -4.931 1.00 0.00 C ATOM 519 C PRO A 30 6.968 -5.525 -5.239 1.00 0.00 C ATOM 520 O PRO A 30 6.959 -4.673 -4.373 1.00 0.00 O ATOM 521 CB PRO A 30 6.146 -7.788 -4.538 1.00 0.00 C ATOM 522 CG PRO A 30 6.474 -8.495 -3.254 1.00 0.00 C ATOM 523 CD PRO A 30 7.896 -8.110 -2.836 1.00 0.00 C ATOM 0 HA PRO A 30 7.867 -7.345 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.277 -7.143 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.898 -8.506 -5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.762 -8.217 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.397 -9.574 -3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.928 -7.779 -1.798 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.577 -8.957 -2.922 1.00 0.00 H new ATOM 531 N ASN A 31 6.635 -5.244 -6.465 1.00 0.00 N ATOM 532 CA ASN A 31 6.236 -3.859 -6.823 1.00 0.00 C ATOM 533 C ASN A 31 4.717 -3.730 -6.719 1.00 0.00 C ATOM 534 O ASN A 31 3.975 -4.576 -7.179 1.00 0.00 O ATOM 535 CB ASN A 31 6.711 -3.561 -8.242 1.00 0.00 C ATOM 536 CG ASN A 31 8.232 -3.678 -8.277 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.822 -3.785 -9.331 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.896 -3.664 -7.152 1.00 0.00 N ATOM 0 H ASN A 31 6.622 -5.914 -7.234 1.00 0.00 H new ATOM 0 HA ASN A 31 6.691 -3.141 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.261 -4.260 -8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.401 -2.560 -8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.913 -3.743 -7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.398 -3.574 -6.267 1.00 0.00 H new ATOM 545 N LEU A 32 4.255 -2.693 -6.080 1.00 0.00 N ATOM 546 CA LEU A 32 2.789 -2.512 -5.895 1.00 0.00 C ATOM 547 C LEU A 32 2.249 -1.421 -6.829 1.00 0.00 C ATOM 548 O LEU A 32 2.775 -0.328 -6.892 1.00 0.00 O ATOM 549 CB LEU A 32 2.535 -2.097 -4.446 1.00 0.00 C ATOM 550 CG LEU A 32 1.060 -2.271 -4.118 1.00 0.00 C ATOM 551 CD1 LEU A 32 0.817 -3.706 -3.646 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.662 -1.293 -3.011 1.00 0.00 C ATOM 0 H LEU A 32 4.834 -1.958 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 32 2.282 -3.448 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.142 -2.702 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.831 -1.059 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 32 0.461 -2.071 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.239 -3.837 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.101 -4.402 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.415 -3.903 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.395 -1.419 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.257 -1.491 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.840 -0.271 -3.347 1.00 0.00 H new ATOM 564 N HIS A 33 1.188 -1.706 -7.540 1.00 0.00 N ATOM 565 CA HIS A 33 0.596 -0.685 -8.453 1.00 0.00 C ATOM 566 C HIS A 33 -0.709 -1.211 -9.066 1.00 0.00 C ATOM 567 O HIS A 33 -0.714 -2.159 -9.826 1.00 0.00 O ATOM 568 CB HIS A 33 1.587 -0.355 -9.572 1.00 0.00 C ATOM 569 CG HIS A 33 0.930 -0.559 -10.909 1.00 0.00 C ATOM 570 ND1 HIS A 33 -0.165 0.190 -11.318 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.198 -1.426 -11.941 1.00 0.00 C ATOM 572 CE1 HIS A 33 -0.510 -0.235 -12.548 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.289 -1.216 -12.971 1.00 0.00 N ATOM 0 H HIS A 33 0.706 -2.605 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 33 0.381 0.215 -7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.927 0.676 -9.477 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.469 -0.990 -9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.992 -2.158 -11.950 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.332 0.168 -13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.242 -1.708 -13.863 1.00 0.00 H new ATOM 582 N GLY A 34 -1.812 -0.582 -8.757 1.00 0.00 N ATOM 583 CA GLY A 34 -3.115 -1.016 -9.342 1.00 0.00 C ATOM 584 C GLY A 34 -3.704 -2.202 -8.571 1.00 0.00 C ATOM 585 O GLY A 34 -4.594 -2.873 -9.055 1.00 0.00 O ATOM 0 H GLY A 34 -1.867 0.215 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.819 -0.184 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.973 -1.293 -10.387 1.00 0.00 H new ATOM 589 N ILE A 35 -3.234 -2.477 -7.385 1.00 0.00 N ATOM 590 CA ILE A 35 -3.807 -3.630 -6.631 1.00 0.00 C ATOM 591 C ILE A 35 -5.146 -3.229 -6.012 1.00 0.00 C ATOM 592 O ILE A 35 -5.915 -4.063 -5.581 1.00 0.00 O ATOM 593 CB ILE A 35 -2.846 -4.076 -5.525 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.639 -2.944 -4.505 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.503 -4.450 -6.150 1.00 0.00 C ATOM 596 CD1 ILE A 35 -2.687 -3.514 -3.086 1.00 0.00 C ATOM 0 H ILE A 35 -2.491 -1.964 -6.911 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.958 -4.458 -7.323 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.271 -4.937 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.680 -2.455 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.411 -2.184 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.814 -4.769 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.647 -5.264 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.089 -3.585 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.540 -2.709 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.656 -3.982 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.899 -4.257 -2.966 1.00 0.00 H new ATOM 608 N PHE A 36 -5.423 -1.957 -5.957 1.00 0.00 N ATOM 609 CA PHE A 36 -6.704 -1.498 -5.355 1.00 0.00 C ATOM 610 C PHE A 36 -7.866 -2.322 -5.921 1.00 0.00 C ATOM 611 O PHE A 36 -8.866 -2.529 -5.262 1.00 0.00 O ATOM 612 CB PHE A 36 -6.915 -0.016 -5.679 1.00 0.00 C ATOM 613 CG PHE A 36 -6.060 0.843 -4.769 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.661 0.839 -4.895 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.669 1.656 -3.803 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.881 1.644 -4.055 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.887 2.462 -2.968 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.495 2.456 -3.094 1.00 0.00 C ATOM 0 H PHE A 36 -4.816 -1.214 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.666 -1.631 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.658 0.177 -6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.966 0.245 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.187 0.216 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.744 1.660 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.805 1.638 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.359 3.089 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.892 3.079 -2.449 1.00 0.00 H new ATOM 628 N GLY A 37 -7.745 -2.791 -7.136 1.00 0.00 N ATOM 629 CA GLY A 37 -8.846 -3.598 -7.742 1.00 0.00 C ATOM 630 C GLY A 37 -8.428 -5.068 -7.863 1.00 0.00 C ATOM 631 O GLY A 37 -8.914 -5.787 -8.713 1.00 0.00 O ATOM 0 H GLY A 37 -6.931 -2.650 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.744 -3.518 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.096 -3.202 -8.726 1.00 0.00 H new ATOM 635 N ARG A 38 -7.532 -5.524 -7.024 1.00 0.00 N ATOM 636 CA ARG A 38 -7.089 -6.951 -7.102 1.00 0.00 C ATOM 637 C ARG A 38 -7.132 -7.592 -5.717 1.00 0.00 C ATOM 638 O ARG A 38 -7.293 -6.926 -4.714 1.00 0.00 O ATOM 639 CB ARG A 38 -5.657 -7.023 -7.637 1.00 0.00 C ATOM 640 CG ARG A 38 -5.605 -6.503 -9.077 1.00 0.00 C ATOM 641 CD ARG A 38 -6.134 -7.575 -10.036 1.00 0.00 C ATOM 642 NE ARG A 38 -5.831 -7.175 -11.438 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.522 -6.228 -12.010 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.477 -5.629 -11.353 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.257 -5.877 -13.240 1.00 0.00 N ATOM 0 H ARG A 38 -7.089 -4.972 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.761 -7.486 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.994 -6.432 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.298 -8.052 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.202 -5.595 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.581 -6.239 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.674 -8.538 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.209 -7.698 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.083 -7.642 -11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.683 -5.901 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.017 -4.888 -11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.509 -6.344 -13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.798 -5.136 -13.687 1.00 0.00 H new ATOM 659 N HIS A 39 -6.987 -8.889 -5.659 1.00 0.00 N ATOM 660 CA HIS A 39 -7.015 -9.587 -4.346 1.00 0.00 C ATOM 661 C HIS A 39 -5.612 -9.615 -3.749 1.00 0.00 C ATOM 662 O HIS A 39 -4.622 -9.523 -4.447 1.00 0.00 O ATOM 663 CB HIS A 39 -7.515 -11.019 -4.531 1.00 0.00 C ATOM 664 CG HIS A 39 -9.015 -11.017 -4.624 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.692 -10.225 -5.536 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.984 -11.712 -3.941 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.008 -10.461 -5.387 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.237 -11.358 -4.427 1.00 0.00 N ATOM 0 H HIS A 39 -6.850 -9.495 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.687 -9.053 -3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.084 -11.452 -5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.192 -11.639 -3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.800 -12.423 -3.149 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.781 -9.984 -5.971 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.142 -11.710 -4.115 1.00 0.00 H new ATOM 677 N SER A 40 -5.524 -9.728 -2.456 1.00 0.00 N ATOM 678 CA SER A 40 -4.194 -9.748 -1.793 1.00 0.00 C ATOM 679 C SER A 40 -3.361 -10.915 -2.309 1.00 0.00 C ATOM 680 O SER A 40 -3.798 -12.049 -2.329 1.00 0.00 O ATOM 681 CB SER A 40 -4.385 -9.909 -0.288 1.00 0.00 C ATOM 682 OG SER A 40 -3.546 -8.987 0.395 1.00 0.00 O ATOM 0 H SER A 40 -6.322 -9.808 -1.826 1.00 0.00 H new ATOM 0 HA SER A 40 -3.678 -8.813 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.428 -9.735 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.145 -10.929 0.013 1.00 0.00 H new ATOM 0 HG SER A 40 -2.759 -8.791 -0.155 1.00 0.00 H new ATOM 688 N GLY A 41 -2.147 -10.648 -2.695 1.00 0.00 N ATOM 689 CA GLY A 41 -1.261 -11.741 -3.173 1.00 0.00 C ATOM 690 C GLY A 41 -1.227 -11.801 -4.699 1.00 0.00 C ATOM 691 O GLY A 41 -0.542 -12.627 -5.269 1.00 0.00 O ATOM 0 H GLY A 41 -1.729 -9.717 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.252 -11.588 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.610 -12.695 -2.777 1.00 0.00 H new ATOM 695 N GLN A 42 -1.944 -10.947 -5.372 1.00 0.00 N ATOM 696 CA GLN A 42 -1.915 -10.992 -6.861 1.00 0.00 C ATOM 697 C GLN A 42 -0.946 -9.939 -7.394 1.00 0.00 C ATOM 698 O GLN A 42 -1.097 -8.758 -7.157 1.00 0.00 O ATOM 699 CB GLN A 42 -3.317 -10.737 -7.409 1.00 0.00 C ATOM 700 CG GLN A 42 -4.223 -11.889 -6.982 1.00 0.00 C ATOM 701 CD GLN A 42 -5.640 -11.650 -7.506 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.981 -10.548 -7.889 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.486 -12.643 -7.540 1.00 0.00 N ATOM 0 H GLN A 42 -2.542 -10.228 -4.964 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.578 -11.977 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.705 -9.791 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.290 -10.659 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.836 -12.832 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.236 -11.971 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.200 -13.568 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.433 -12.494 -7.888 1.00 0.00 H new ATOM 712 N ALA A 43 0.050 -10.369 -8.119 1.00 0.00 N ATOM 713 CA ALA A 43 1.039 -9.411 -8.681 1.00 0.00 C ATOM 714 C ALA A 43 1.350 -9.803 -10.127 1.00 0.00 C ATOM 715 O ALA A 43 1.200 -10.944 -10.517 1.00 0.00 O ATOM 716 CB ALA A 43 2.324 -9.449 -7.852 1.00 0.00 C ATOM 0 H ALA A 43 0.221 -11.349 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 43 0.627 -8.402 -8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.046 -8.746 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.100 -9.173 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.743 -10.455 -7.876 1.00 0.00 H new ATOM 722 N GLU A 44 1.783 -8.867 -10.922 1.00 0.00 N ATOM 723 CA GLU A 44 2.104 -9.183 -12.341 1.00 0.00 C ATOM 724 C GLU A 44 3.610 -9.383 -12.482 1.00 0.00 C ATOM 725 O GLU A 44 4.072 -10.177 -13.279 1.00 0.00 O ATOM 726 CB GLU A 44 1.655 -8.027 -13.237 1.00 0.00 C ATOM 727 CG GLU A 44 0.136 -7.871 -13.148 1.00 0.00 C ATOM 728 CD GLU A 44 -0.322 -6.765 -14.100 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.534 -6.079 -14.634 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.520 -6.623 -14.279 1.00 0.00 O ATOM 0 H GLU A 44 1.929 -7.895 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 44 1.584 -10.093 -12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.145 -7.103 -12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.952 -8.216 -14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.352 -8.811 -13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.156 -7.629 -12.126 1.00 0.00 H new ATOM 737 N GLY A 45 4.380 -8.666 -11.713 1.00 0.00 N ATOM 738 CA GLY A 45 5.856 -8.805 -11.798 1.00 0.00 C ATOM 739 C GLY A 45 6.313 -9.958 -10.906 1.00 0.00 C ATOM 740 O GLY A 45 6.748 -10.986 -11.387 1.00 0.00 O ATOM 0 H GLY A 45 4.047 -7.988 -11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.155 -8.989 -12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.337 -7.878 -11.487 1.00 0.00 H new ATOM 744 N TYR A 46 6.228 -9.792 -9.610 1.00 0.00 N ATOM 745 CA TYR A 46 6.669 -10.879 -8.688 1.00 0.00 C ATOM 746 C TYR A 46 5.509 -11.360 -7.824 1.00 0.00 C ATOM 747 O TYR A 46 4.830 -10.583 -7.182 1.00 0.00 O ATOM 748 CB TYR A 46 7.794 -10.364 -7.786 1.00 0.00 C ATOM 749 CG TYR A 46 7.947 -11.280 -6.593 1.00 0.00 C ATOM 750 CD1 TYR A 46 8.065 -12.664 -6.778 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.964 -10.744 -5.298 1.00 0.00 C ATOM 752 CE1 TYR A 46 8.199 -13.509 -5.670 1.00 0.00 C ATOM 753 CE2 TYR A 46 8.100 -11.591 -4.190 1.00 0.00 C ATOM 754 CZ TYR A 46 8.216 -12.974 -4.377 1.00 0.00 C ATOM 755 OH TYR A 46 8.349 -13.809 -3.286 1.00 0.00 O ATOM 0 H TYR A 46 5.873 -8.952 -9.153 1.00 0.00 H new ATOM 0 HA TYR A 46 7.028 -11.715 -9.288 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.729 -10.318 -8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.571 -9.350 -7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.053 -13.079 -7.775 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.872 -9.678 -5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.289 -14.576 -5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.115 -11.177 -3.192 1.00 0.00 H new ATOM 0 HH TYR A 46 8.343 -13.276 -2.464 1.00 0.00 H new ATOM 765 N SER A 47 5.293 -12.647 -7.789 1.00 0.00 N ATOM 766 CA SER A 47 4.194 -13.190 -6.951 1.00 0.00 C ATOM 767 C SER A 47 4.551 -12.968 -5.484 1.00 0.00 C ATOM 768 O SER A 47 5.695 -13.070 -5.089 1.00 0.00 O ATOM 769 CB SER A 47 4.034 -14.687 -7.221 1.00 0.00 C ATOM 770 OG SER A 47 3.749 -14.889 -8.598 1.00 0.00 O ATOM 0 H SER A 47 5.831 -13.343 -8.305 1.00 0.00 H new ATOM 0 HA SER A 47 3.257 -12.686 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.946 -15.217 -6.945 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.230 -15.095 -6.608 1.00 0.00 H new ATOM 0 HG SER A 47 3.648 -15.848 -8.774 1.00 0.00 H new ATOM 776 N TYR A 48 3.585 -12.654 -4.675 1.00 0.00 N ATOM 777 CA TYR A 48 3.867 -12.412 -3.235 1.00 0.00 C ATOM 778 C TYR A 48 4.258 -13.717 -2.534 1.00 0.00 C ATOM 779 O TYR A 48 4.358 -14.761 -3.146 1.00 0.00 O ATOM 780 CB TYR A 48 2.621 -11.830 -2.583 1.00 0.00 C ATOM 781 CG TYR A 48 2.352 -10.465 -3.168 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.605 -10.339 -4.344 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.850 -9.325 -2.531 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.354 -9.071 -4.881 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.603 -8.057 -3.067 1.00 0.00 C ATOM 786 CZ TYR A 48 1.854 -7.930 -4.243 1.00 0.00 C ATOM 787 OH TYR A 48 1.605 -6.680 -4.767 1.00 0.00 O ATOM 0 H TYR A 48 2.607 -12.554 -4.948 1.00 0.00 H new ATOM 0 HA TYR A 48 4.699 -11.714 -3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.767 -12.486 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.760 -11.757 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.222 -11.220 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.427 -9.423 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.775 -8.973 -5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.990 -7.177 -2.574 1.00 0.00 H new ATOM 0 HH TYR A 48 2.346 -6.078 -4.544 1.00 0.00 H new ATOM 797 N THR A 49 4.490 -13.652 -1.248 1.00 0.00 N ATOM 798 CA THR A 49 4.885 -14.872 -0.485 1.00 0.00 C ATOM 799 C THR A 49 3.713 -15.854 -0.425 1.00 0.00 C ATOM 800 O THR A 49 2.563 -15.466 -0.413 1.00 0.00 O ATOM 801 CB THR A 49 5.288 -14.474 0.936 1.00 0.00 C ATOM 802 OG1 THR A 49 6.316 -13.494 0.878 1.00 0.00 O ATOM 803 CG2 THR A 49 5.795 -15.705 1.689 1.00 0.00 C ATOM 0 H THR A 49 4.422 -12.800 -0.691 1.00 0.00 H new ATOM 0 HA THR A 49 5.727 -15.350 -0.986 1.00 0.00 H new ATOM 0 HB THR A 49 4.423 -14.064 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.253 -12.907 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.082 -15.420 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.005 -16.455 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.660 -16.119 1.170 1.00 0.00 H new ATOM 811 N ASP A 50 4.002 -17.127 -0.395 1.00 0.00 N ATOM 812 CA ASP A 50 2.918 -18.145 -0.348 1.00 0.00 C ATOM 813 C ASP A 50 1.954 -17.843 0.805 1.00 0.00 C ATOM 814 O ASP A 50 0.760 -18.029 0.687 1.00 0.00 O ATOM 815 CB ASP A 50 3.540 -19.526 -0.139 1.00 0.00 C ATOM 816 CG ASP A 50 4.327 -19.925 -1.389 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.182 -19.252 -2.396 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.062 -20.897 -1.317 1.00 0.00 O ATOM 0 H ASP A 50 4.949 -17.506 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 50 2.364 -18.121 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.199 -19.512 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.761 -20.261 0.063 1.00 0.00 H new ATOM 823 N ALA A 51 2.454 -17.380 1.921 1.00 0.00 N ATOM 824 CA ALA A 51 1.543 -17.079 3.064 1.00 0.00 C ATOM 825 C ALA A 51 0.528 -16.022 2.636 1.00 0.00 C ATOM 826 O ALA A 51 -0.667 -16.236 2.683 1.00 0.00 O ATOM 827 CB ALA A 51 2.360 -16.547 4.243 1.00 0.00 C ATOM 0 H ALA A 51 3.444 -17.199 2.089 1.00 0.00 H new ATOM 0 HA ALA A 51 1.023 -17.989 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.694 -16.327 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.089 -17.297 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.880 -15.637 3.944 1.00 0.00 H new ATOM 833 N ASN A 52 0.997 -14.885 2.210 1.00 0.00 N ATOM 834 CA ASN A 52 0.066 -13.813 1.765 1.00 0.00 C ATOM 835 C ASN A 52 -0.803 -14.334 0.623 1.00 0.00 C ATOM 836 O ASN A 52 -1.995 -14.101 0.576 1.00 0.00 O ATOM 837 CB ASN A 52 0.881 -12.613 1.280 1.00 0.00 C ATOM 838 CG ASN A 52 -0.063 -11.521 0.781 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.265 -11.699 0.773 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.432 -10.391 0.361 1.00 0.00 N ATOM 0 H ASN A 52 1.988 -14.651 2.150 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.573 -13.513 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.501 -12.230 2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.556 -12.918 0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.190 -9.655 0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.441 -10.242 0.368 1.00 0.00 H new ATOM 847 N ILE A 53 -0.214 -15.039 -0.300 1.00 0.00 N ATOM 848 CA ILE A 53 -0.998 -15.581 -1.443 1.00 0.00 C ATOM 849 C ILE A 53 -2.003 -16.613 -0.937 1.00 0.00 C ATOM 850 O ILE A 53 -3.088 -16.746 -1.469 1.00 0.00 O ATOM 851 CB ILE A 53 -0.051 -16.222 -2.449 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.892 -15.149 -2.997 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.857 -16.836 -3.594 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.960 -15.804 -3.874 1.00 0.00 C ATOM 0 H ILE A 53 0.781 -15.264 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.541 -14.770 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 53 0.529 -17.007 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.329 -14.418 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.363 -14.610 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.177 -17.294 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.532 -17.595 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.437 -16.057 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.631 -15.038 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.530 -16.518 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.481 -16.323 -4.704 1.00 0.00 H new ATOM 866 N LYS A 54 -1.664 -17.341 0.091 1.00 0.00 N ATOM 867 CA LYS A 54 -2.620 -18.349 0.620 1.00 0.00 C ATOM 868 C LYS A 54 -3.935 -17.644 0.944 1.00 0.00 C ATOM 869 O LYS A 54 -5.008 -18.137 0.654 1.00 0.00 O ATOM 870 CB LYS A 54 -2.051 -18.979 1.888 1.00 0.00 C ATOM 871 CG LYS A 54 -3.021 -20.038 2.410 1.00 0.00 C ATOM 872 CD LYS A 54 -2.476 -20.635 3.709 1.00 0.00 C ATOM 873 CE LYS A 54 -3.358 -21.809 4.141 1.00 0.00 C ATOM 874 NZ LYS A 54 -2.971 -23.028 3.375 1.00 0.00 N ATOM 0 H LYS A 54 -0.773 -17.281 0.583 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.787 -19.132 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.081 -19.430 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.889 -18.213 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.001 -19.594 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.155 -20.822 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.449 -20.972 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.455 -19.875 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.246 -21.988 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.408 -21.574 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.809 -23.626 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.578 -22.749 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.256 -23.561 3.909 1.00 0.00 H new ATOM 888 N LYS A 55 -3.853 -16.481 1.525 1.00 0.00 N ATOM 889 CA LYS A 55 -5.086 -15.716 1.854 1.00 0.00 C ATOM 890 C LYS A 55 -5.181 -14.520 0.905 1.00 0.00 C ATOM 891 O LYS A 55 -4.300 -13.684 0.863 1.00 0.00 O ATOM 892 CB LYS A 55 -5.003 -15.218 3.298 1.00 0.00 C ATOM 893 CG LYS A 55 -6.359 -14.653 3.723 1.00 0.00 C ATOM 894 CD LYS A 55 -6.258 -14.095 5.144 1.00 0.00 C ATOM 895 CE LYS A 55 -7.643 -13.659 5.624 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.508 -12.487 6.535 1.00 0.00 N ATOM 0 H LYS A 55 -2.979 -16.025 1.788 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.965 -16.351 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.714 -16.035 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.234 -14.450 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.670 -13.868 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.119 -15.433 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.851 -14.852 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.572 -13.249 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.270 -13.400 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.135 -14.482 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.426 -12.005 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.200 -12.811 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.804 -11.826 6.149 1.00 0.00 H new ATOM 910 N ASN A 56 -6.235 -14.434 0.137 1.00 0.00 N ATOM 911 CA ASN A 56 -6.377 -13.294 -0.815 1.00 0.00 C ATOM 912 C ASN A 56 -7.675 -12.541 -0.533 1.00 0.00 C ATOM 913 O ASN A 56 -8.734 -13.128 -0.417 1.00 0.00 O ATOM 914 CB ASN A 56 -6.407 -13.828 -2.247 1.00 0.00 C ATOM 915 CG ASN A 56 -6.142 -15.335 -2.243 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.736 -16.068 -1.478 1.00 0.00 O ATOM 917 ND2 ASN A 56 -5.267 -15.833 -3.074 1.00 0.00 N ATOM 0 H ASN A 56 -7.004 -15.104 0.128 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.532 -12.617 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.376 -13.621 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.656 -13.319 -2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.083 -16.836 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.767 -15.219 -3.717 1.00 0.00 H new ATOM 924 N VAL A 57 -7.600 -11.243 -0.421 1.00 0.00 N ATOM 925 CA VAL A 57 -8.823 -10.440 -0.145 1.00 0.00 C ATOM 926 C VAL A 57 -8.926 -9.289 -1.147 1.00 0.00 C ATOM 927 O VAL A 57 -7.954 -8.625 -1.446 1.00 0.00 O ATOM 928 CB VAL A 57 -8.742 -9.868 1.269 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.042 -9.133 1.605 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.528 -11.008 2.269 1.00 0.00 C ATOM 0 H VAL A 57 -6.740 -10.702 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.701 -11.079 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.908 -9.169 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.980 -8.727 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.194 -8.320 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.879 -9.828 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.470 -10.601 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.362 -11.707 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.600 -11.529 2.034 1.00 0.00 H new ATOM 940 N LEU A 58 -10.103 -9.036 -1.656 1.00 0.00 N ATOM 941 CA LEU A 58 -10.262 -7.915 -2.622 1.00 0.00 C ATOM 942 C LEU A 58 -9.749 -6.639 -1.972 1.00 0.00 C ATOM 943 O LEU A 58 -9.884 -6.440 -0.781 1.00 0.00 O ATOM 944 CB LEU A 58 -11.736 -7.743 -2.981 1.00 0.00 C ATOM 945 CG LEU A 58 -11.898 -6.558 -3.939 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.172 -6.855 -5.252 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.385 -6.341 -4.223 1.00 0.00 C ATOM 0 H LEU A 58 -10.955 -9.555 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.699 -8.129 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.116 -8.653 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.323 -7.576 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.473 -5.663 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.289 -6.011 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.113 -7.017 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.596 -7.749 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.506 -5.499 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.803 -7.239 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.907 -6.130 -3.289 1.00 0.00 H new ATOM 959 N TRP A 59 -9.151 -5.775 -2.740 1.00 0.00 N ATOM 960 CA TRP A 59 -8.622 -4.521 -2.159 1.00 0.00 C ATOM 961 C TRP A 59 -9.574 -3.358 -2.430 1.00 0.00 C ATOM 962 O TRP A 59 -10.179 -3.258 -3.478 1.00 0.00 O ATOM 963 CB TRP A 59 -7.260 -4.217 -2.772 1.00 0.00 C ATOM 964 CG TRP A 59 -6.210 -5.006 -2.065 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.385 -5.909 -2.644 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.867 -4.984 -0.651 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.541 -6.424 -1.677 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.805 -5.891 -0.432 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.366 -4.267 0.451 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.259 -6.081 0.834 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.819 -4.458 1.729 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.766 -5.366 1.919 1.00 0.00 C ATOM 0 H TRP A 59 -9.007 -5.886 -3.744 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.525 -4.647 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.263 -4.465 -3.833 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.044 -3.152 -2.694 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.386 -6.182 -3.689 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.812 -7.114 -1.862 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.175 -3.565 0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.447 -6.779 0.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.210 -3.904 2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.349 -5.511 2.904 1.00 0.00 H new ATOM 983 N ASP A 60 -9.697 -2.472 -1.481 1.00 0.00 N ATOM 984 CA ASP A 60 -10.590 -1.296 -1.649 1.00 0.00 C ATOM 985 C ASP A 60 -9.940 -0.098 -0.959 1.00 0.00 C ATOM 986 O ASP A 60 -9.096 -0.254 -0.099 1.00 0.00 O ATOM 987 CB ASP A 60 -11.949 -1.585 -1.008 1.00 0.00 C ATOM 988 CG ASP A 60 -12.928 -0.462 -1.359 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.557 0.397 -2.142 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.031 -0.481 -0.838 1.00 0.00 O ATOM 0 H ASP A 60 -9.210 -2.515 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.739 -1.085 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.334 -2.541 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.843 -1.665 0.074 1.00 0.00 H new ATOM 995 N GLU A 61 -10.310 1.095 -1.323 1.00 0.00 N ATOM 996 CA GLU A 61 -9.688 2.281 -0.675 1.00 0.00 C ATOM 997 C GLU A 61 -9.873 2.179 0.839 1.00 0.00 C ATOM 998 O GLU A 61 -8.991 2.513 1.606 1.00 0.00 O ATOM 999 CB GLU A 61 -10.367 3.553 -1.186 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.129 3.687 -2.691 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.766 4.982 -3.194 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.470 5.611 -2.421 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.540 5.323 -4.343 1.00 0.00 O ATOM 0 H GLU A 61 -11.010 1.301 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.625 2.316 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.436 3.516 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.970 4.424 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.060 3.689 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.556 2.832 -3.215 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.010 1.715 1.275 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.246 1.584 2.739 1.00 0.00 C ATOM 1012 C ASN A 62 -10.468 0.383 3.286 1.00 0.00 C ATOM 1013 O ASN A 62 -9.851 0.456 4.331 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.741 1.383 2.997 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.508 2.631 2.558 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.929 3.685 2.387 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.797 2.557 2.367 1.00 0.00 N ATOM 0 H ASN A 62 -11.786 1.421 0.681 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.906 2.490 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.101 0.511 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.915 1.190 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.317 3.384 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.284 1.672 2.510 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.498 -0.726 2.593 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.767 -1.930 3.080 1.00 0.00 C ATOM 1026 C ASN A 63 -8.264 -1.653 3.112 1.00 0.00 C ATOM 1027 O ASN A 63 -7.571 -2.037 4.033 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.045 -3.102 2.139 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.527 -3.472 2.201 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.234 -3.052 3.096 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.030 -4.250 1.282 1.00 0.00 N ATOM 0 H ASN A 63 -10.997 -0.848 1.712 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.107 -2.173 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.769 -2.835 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.434 -3.960 2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.017 -4.506 1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.436 -4.602 0.531 1.00 0.00 H new ATOM 1038 N MET A 64 -7.754 -0.995 2.110 1.00 0.00 N ATOM 1039 CA MET A 64 -6.296 -0.700 2.078 1.00 0.00 C ATOM 1040 C MET A 64 -5.917 0.203 3.252 1.00 0.00 C ATOM 1041 O MET A 64 -4.847 0.082 3.814 1.00 0.00 O ATOM 1042 CB MET A 64 -5.947 -0.013 0.758 1.00 0.00 C ATOM 1043 CG MET A 64 -6.037 -1.022 -0.387 1.00 0.00 C ATOM 1044 SD MET A 64 -5.199 -0.356 -1.846 1.00 0.00 S ATOM 1045 CE MET A 64 -3.498 -0.655 -1.291 1.00 0.00 C ATOM 0 H MET A 64 -8.285 -0.648 1.311 1.00 0.00 H new ATOM 0 HA MET A 64 -5.738 -1.633 2.160 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.629 0.818 0.578 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.942 0.405 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.579 -1.966 -0.091 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.081 -1.233 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.827 -0.637 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.204 0.121 -0.584 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.440 -1.629 -0.805 1.00 0.00 H new ATOM 1055 N SER A 65 -6.776 1.108 3.630 1.00 0.00 N ATOM 1056 CA SER A 65 -6.441 2.009 4.769 1.00 0.00 C ATOM 1057 C SER A 65 -6.130 1.164 6.005 1.00 0.00 C ATOM 1058 O SER A 65 -5.197 1.436 6.738 1.00 0.00 O ATOM 1059 CB SER A 65 -7.629 2.925 5.062 1.00 0.00 C ATOM 1060 OG SER A 65 -7.993 3.618 3.874 1.00 0.00 O ATOM 0 H SER A 65 -7.689 1.263 3.203 1.00 0.00 H new ATOM 0 HA SER A 65 -5.572 2.616 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.472 2.340 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.370 3.636 5.847 1.00 0.00 H new ATOM 0 HG SER A 65 -8.468 3.008 3.272 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.895 0.133 6.239 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.629 -0.729 7.422 1.00 0.00 C ATOM 1068 C GLU A 66 -5.274 -1.413 7.244 1.00 0.00 C ATOM 1069 O GLU A 66 -4.508 -1.551 8.177 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.725 -1.789 7.541 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.066 -1.108 7.822 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.150 -2.170 8.009 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.867 -3.329 7.754 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.246 -1.806 8.404 1.00 0.00 O ATOM 0 H GLU A 66 -7.689 -0.148 5.664 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.619 -0.120 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.786 -2.369 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.485 -2.487 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.991 -0.489 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.329 -0.446 6.997 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.968 -1.833 6.046 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.659 -2.498 5.805 1.00 0.00 C ATOM 1083 C TYR A 67 -2.529 -1.500 6.040 1.00 0.00 C ATOM 1084 O TYR A 67 -1.527 -1.815 6.646 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.588 -2.993 4.363 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.263 -3.686 4.152 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.136 -5.058 4.403 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.156 -2.948 3.718 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.900 -5.690 4.219 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.078 -3.582 3.532 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.207 -4.952 3.784 1.00 0.00 C ATOM 1092 OH TYR A 67 1.424 -5.576 3.602 1.00 0.00 O ATOM 0 H TYR A 67 -5.568 -1.744 5.226 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.558 -3.342 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.410 -3.679 4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.691 -2.157 3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.990 -5.628 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.254 -1.890 3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.801 -6.748 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.931 -3.013 3.194 1.00 0.00 H new ATOM 0 HH TYR A 67 1.495 -6.339 4.213 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.682 -0.300 5.557 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.613 0.716 5.745 1.00 0.00 C ATOM 1104 C LEU A 68 -1.219 0.782 7.217 1.00 0.00 C ATOM 1105 O LEU A 68 -0.069 0.987 7.551 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.128 2.080 5.283 1.00 0.00 C ATOM 1107 CG LEU A 68 -1.725 2.318 3.827 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.494 1.364 2.912 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -2.057 3.758 3.447 1.00 0.00 C ATOM 0 H LEU A 68 -3.501 0.021 5.040 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.738 0.440 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.213 2.122 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.720 2.867 5.917 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.656 2.139 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.202 1.539 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.264 0.334 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.564 1.538 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.772 3.935 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.127 3.928 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.509 4.441 4.096 1.00 0.00 H new ATOM 1121 N THR A 69 -2.154 0.599 8.103 1.00 0.00 N ATOM 1122 CA THR A 69 -1.815 0.642 9.547 1.00 0.00 C ATOM 1123 C THR A 69 -0.620 -0.280 9.802 1.00 0.00 C ATOM 1124 O THR A 69 0.269 0.034 10.570 1.00 0.00 O ATOM 1125 CB THR A 69 -3.019 0.163 10.356 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.172 0.896 9.966 1.00 0.00 O ATOM 1127 CG2 THR A 69 -2.752 0.387 11.839 1.00 0.00 C ATOM 0 H THR A 69 -3.136 0.422 7.890 1.00 0.00 H new ATOM 0 HA THR A 69 -1.561 1.659 9.845 1.00 0.00 H new ATOM 0 HB THR A 69 -3.184 -0.899 10.172 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.672 0.386 9.295 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.610 0.046 12.419 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.866 -0.173 12.138 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.589 1.449 12.023 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.589 -1.411 9.151 1.00 0.00 N ATOM 1136 CA ASN A 70 0.549 -2.359 9.337 1.00 0.00 C ATOM 1137 C ASN A 70 0.930 -2.954 7.979 1.00 0.00 C ATOM 1138 O ASN A 70 0.667 -2.375 6.944 1.00 0.00 O ATOM 1139 CB ASN A 70 0.135 -3.490 10.280 1.00 0.00 C ATOM 1140 CG ASN A 70 -0.191 -2.919 11.661 1.00 0.00 C ATOM 1141 OD1 ASN A 70 0.162 -1.799 11.968 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -0.853 -3.652 12.515 1.00 0.00 N ATOM 0 H ASN A 70 -1.306 -1.721 8.495 1.00 0.00 H new ATOM 0 HA ASN A 70 1.398 -1.825 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.733 -4.012 9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.938 -4.222 10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.074 -3.283 13.440 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.150 -4.593 12.257 1.00 0.00 H new ATOM 1149 N HIS A 71 1.547 -4.106 7.974 1.00 0.00 N ATOM 1150 CA HIS A 71 1.939 -4.742 6.682 1.00 0.00 C ATOM 1151 C HIS A 71 1.368 -6.161 6.615 1.00 0.00 C ATOM 1152 O HIS A 71 1.618 -6.893 5.679 1.00 0.00 O ATOM 1153 CB HIS A 71 3.464 -4.805 6.579 1.00 0.00 C ATOM 1154 CG HIS A 71 3.922 -3.937 5.439 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.174 -2.580 5.600 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.174 -4.212 4.115 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.557 -2.094 4.404 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.572 -3.046 3.475 1.00 0.00 N ATOM 0 H HIS A 71 1.797 -4.635 8.810 1.00 0.00 H new ATOM 0 HA HIS A 71 1.544 -4.149 5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.917 -4.469 7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.787 -5.834 6.420 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.085 -2.049 6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.078 -5.181 3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.819 -1.062 4.222 1.00 0.00 H new ATOM 1166 N ALA A 72 0.612 -6.563 7.603 1.00 0.00 N ATOM 1167 CA ALA A 72 0.044 -7.941 7.578 1.00 0.00 C ATOM 1168 C ALA A 72 -1.265 -7.995 8.371 1.00 0.00 C ATOM 1169 O ALA A 72 -1.793 -9.057 8.634 1.00 0.00 O ATOM 1170 CB ALA A 72 1.050 -8.910 8.201 1.00 0.00 C ATOM 0 H ALA A 72 0.366 -6.002 8.418 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.158 -8.221 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.640 -9.920 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.979 -8.887 7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.249 -8.615 9.231 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.800 -6.868 8.757 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.075 -6.888 9.531 1.00 0.00 C ATOM 1178 C LYS A 73 -4.154 -7.598 8.711 1.00 0.00 C ATOM 1179 O LYS A 73 -4.897 -8.414 9.220 1.00 0.00 O ATOM 1180 CB LYS A 73 -3.524 -5.456 9.826 1.00 0.00 C ATOM 1181 CG LYS A 73 -4.786 -5.485 10.691 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.274 -4.055 10.931 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.447 -4.073 11.913 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.698 -3.690 11.200 1.00 0.00 N ATOM 0 H LYS A 73 -1.414 -5.942 8.572 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.918 -7.417 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.731 -4.913 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.721 -4.926 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.564 -6.068 10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.576 -5.973 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.463 -3.445 11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.582 -3.602 9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.554 -5.066 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.258 -3.382 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.496 -3.702 11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.593 -2.734 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.880 -4.366 10.431 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.243 -7.300 7.444 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.269 -7.963 6.594 1.00 0.00 C ATOM 1200 C TYR A 74 -4.787 -9.370 6.234 1.00 0.00 C ATOM 1201 O TYR A 74 -5.573 -10.277 6.042 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.479 -7.149 5.316 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.954 -7.072 5.000 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.686 -8.245 4.775 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -7.590 -5.827 4.933 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.053 -8.171 4.485 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -8.957 -5.754 4.642 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.689 -6.926 4.418 1.00 0.00 C ATOM 1209 OH TYR A 74 -11.037 -6.854 4.130 1.00 0.00 O ATOM 0 H TYR A 74 -3.649 -6.626 6.961 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.212 -8.026 7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.071 -6.146 5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.943 -7.611 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.196 -9.206 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.026 -4.922 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.618 -9.075 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.447 -4.793 4.590 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.320 -5.916 4.123 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.497 -9.554 6.141 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.948 -10.898 5.793 1.00 0.00 C ATOM 1221 C ILE A 75 -1.929 -11.324 6.856 1.00 0.00 C ATOM 1222 O ILE A 75 -0.734 -11.204 6.667 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.259 -10.824 4.427 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.022 -9.361 4.052 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.137 -11.480 3.363 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.065 -9.293 2.862 1.00 0.00 C ATOM 0 H ILE A 75 -2.796 -8.828 6.292 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.759 -11.626 5.755 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.306 -11.349 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.967 -8.880 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.604 -8.819 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.639 -11.423 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.305 -12.525 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.094 -10.961 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.894 -8.251 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.117 -9.759 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.501 -9.821 2.014 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.403 -11.816 7.968 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.525 -12.270 9.084 1.00 0.00 C ATOM 1240 C PRO A 76 -0.537 -13.348 8.638 1.00 0.00 C ATOM 1241 O PRO A 76 -0.842 -14.180 7.806 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.497 -12.836 10.125 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.837 -12.270 9.783 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.827 -11.993 8.281 1.00 0.00 C ATOM 0 HA PRO A 76 -0.913 -11.453 9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.513 -13.925 10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.198 -12.551 11.134 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.631 -12.971 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.025 -11.355 10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.261 -12.820 7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.405 -11.102 8.034 1.00 0.00 H new ATOM 1252 N GLY A 77 0.649 -13.338 9.182 1.00 0.00 N ATOM 1253 CA GLY A 77 1.657 -14.359 8.785 1.00 0.00 C ATOM 1254 C GLY A 77 2.417 -13.861 7.557 1.00 0.00 C ATOM 1255 O GLY A 77 3.183 -14.584 6.951 1.00 0.00 O ATOM 0 H GLY A 77 0.963 -12.667 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.349 -14.543 9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.165 -15.306 8.564 1.00 0.00 H new ATOM 1259 N THR A 78 2.209 -12.627 7.182 1.00 0.00 N ATOM 1260 CA THR A 78 2.914 -12.082 5.992 1.00 0.00 C ATOM 1261 C THR A 78 4.151 -11.299 6.435 1.00 0.00 C ATOM 1262 O THR A 78 4.214 -10.776 7.529 1.00 0.00 O ATOM 1263 CB THR A 78 1.976 -11.160 5.212 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.871 -11.915 4.735 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.727 -10.545 4.032 1.00 0.00 C ATOM 0 H THR A 78 1.580 -11.975 7.651 1.00 0.00 H new ATOM 0 HA THR A 78 3.222 -12.908 5.351 1.00 0.00 H new ATOM 0 HB THR A 78 1.619 -10.362 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.251 -12.089 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.057 -9.888 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.576 -9.970 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.084 -11.338 3.375 1.00 0.00 H new ATOM 1273 N LYS A 79 5.139 -11.224 5.587 1.00 0.00 N ATOM 1274 CA LYS A 79 6.384 -10.486 5.942 1.00 0.00 C ATOM 1275 C LYS A 79 6.037 -9.042 6.324 1.00 0.00 C ATOM 1276 O LYS A 79 5.120 -8.451 5.788 1.00 0.00 O ATOM 1277 CB LYS A 79 7.310 -10.466 4.728 1.00 0.00 C ATOM 1278 CG LYS A 79 7.669 -11.893 4.312 1.00 0.00 C ATOM 1279 CD LYS A 79 8.679 -11.842 3.161 1.00 0.00 C ATOM 1280 CE LYS A 79 8.846 -13.236 2.552 1.00 0.00 C ATOM 1281 NZ LYS A 79 10.261 -13.679 2.704 1.00 0.00 N ATOM 0 H LYS A 79 5.138 -11.645 4.658 1.00 0.00 H new ATOM 0 HA LYS A 79 6.872 -10.979 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.824 -9.950 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.217 -9.909 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.090 -12.436 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.773 -12.431 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.339 -11.141 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.640 -11.477 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.178 -13.942 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.570 -13.219 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.375 -14.626 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.889 -13.010 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.508 -13.710 3.714 1.00 0.00 H new ATOM 1295 N MET A 80 6.771 -8.469 7.239 1.00 0.00 N ATOM 1296 CA MET A 80 6.494 -7.060 7.652 1.00 0.00 C ATOM 1297 C MET A 80 7.816 -6.293 7.745 1.00 0.00 C ATOM 1298 O MET A 80 8.865 -6.877 7.936 1.00 0.00 O ATOM 1299 CB MET A 80 5.803 -7.054 9.017 1.00 0.00 C ATOM 1300 CG MET A 80 4.455 -7.771 8.911 1.00 0.00 C ATOM 1301 SD MET A 80 3.555 -7.596 10.473 1.00 0.00 S ATOM 1302 CE MET A 80 4.783 -8.396 11.533 1.00 0.00 C ATOM 0 H MET A 80 7.552 -8.915 7.720 1.00 0.00 H new ATOM 0 HA MET A 80 5.845 -6.584 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.432 -7.548 9.757 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.656 -6.029 9.357 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.870 -7.350 8.093 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.609 -8.826 8.684 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.277 -8.919 12.344 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.361 -9.109 10.946 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.451 -7.642 11.949 1.00 0.00 H new ATOM 1312 N ALA A 81 7.784 -4.991 7.617 1.00 0.00 N ATOM 1313 CA ALA A 81 9.054 -4.211 7.706 1.00 0.00 C ATOM 1314 C ALA A 81 8.790 -2.723 7.432 1.00 0.00 C ATOM 1315 O ALA A 81 9.548 -2.073 6.740 1.00 0.00 O ATOM 1316 CB ALA A 81 10.051 -4.748 6.675 1.00 0.00 C ATOM 0 H ALA A 81 6.942 -4.439 7.456 1.00 0.00 H new ATOM 0 HA ALA A 81 9.464 -4.317 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.980 -4.181 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.254 -5.799 6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.630 -4.647 5.675 1.00 0.00 H new ATOM 1322 N PHE A 82 7.734 -2.175 7.977 1.00 0.00 N ATOM 1323 CA PHE A 82 7.444 -0.725 7.751 1.00 0.00 C ATOM 1324 C PHE A 82 7.581 0.043 9.068 1.00 0.00 C ATOM 1325 O PHE A 82 7.361 -0.493 10.137 1.00 0.00 O ATOM 1326 CB PHE A 82 6.019 -0.539 7.228 1.00 0.00 C ATOM 1327 CG PHE A 82 5.806 0.922 6.942 1.00 0.00 C ATOM 1328 CD1 PHE A 82 5.497 1.792 7.988 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.942 1.409 5.638 1.00 0.00 C ATOM 1330 CE1 PHE A 82 5.320 3.154 7.734 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.767 2.772 5.381 1.00 0.00 C ATOM 1332 CZ PHE A 82 5.456 3.646 6.430 1.00 0.00 C ATOM 0 H PHE A 82 7.062 -2.666 8.567 1.00 0.00 H new ATOM 0 HA PHE A 82 8.155 -0.346 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.867 -1.129 6.324 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.296 -0.891 7.964 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.395 1.412 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.182 0.733 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.078 3.827 8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.872 3.150 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.321 4.699 6.233 1.00 0.00 H new ATOM 1342 N GLY A 83 7.935 1.300 9.000 1.00 0.00 N ATOM 1343 CA GLY A 83 8.074 2.104 10.249 1.00 0.00 C ATOM 1344 C GLY A 83 6.770 2.031 11.044 1.00 0.00 C ATOM 1345 O GLY A 83 6.613 1.200 11.917 1.00 0.00 O ATOM 0 H GLY A 83 8.133 1.803 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.901 1.725 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.307 3.140 10.004 1.00 0.00 H new ATOM 1349 N GLY A 84 5.825 2.886 10.748 1.00 0.00 N ATOM 1350 CA GLY A 84 4.533 2.843 11.490 1.00 0.00 C ATOM 1351 C GLY A 84 3.732 4.128 11.249 1.00 0.00 C ATOM 1352 O GLY A 84 4.070 5.185 11.744 1.00 0.00 O ATOM 0 H GLY A 84 5.892 3.607 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.951 1.979 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.723 2.721 12.556 1.00 0.00 H new ATOM 1356 N LEU A 85 2.659 4.038 10.506 1.00 0.00 N ATOM 1357 CA LEU A 85 1.819 5.239 10.247 1.00 0.00 C ATOM 1358 C LEU A 85 0.933 5.487 11.469 1.00 0.00 C ATOM 1359 O LEU A 85 -0.277 5.388 11.403 1.00 0.00 O ATOM 1360 CB LEU A 85 0.946 4.975 9.023 1.00 0.00 C ATOM 1361 CG LEU A 85 1.827 4.523 7.857 1.00 0.00 C ATOM 1362 CD1 LEU A 85 0.959 4.288 6.627 1.00 0.00 C ATOM 1363 CD2 LEU A 85 2.856 5.606 7.540 1.00 0.00 C ATOM 0 H LEU A 85 2.329 3.179 10.067 1.00 0.00 H new ATOM 0 HA LEU A 85 2.445 6.112 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.204 4.210 9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.399 5.878 8.751 1.00 0.00 H new ATOM 0 HG LEU A 85 2.339 3.600 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.586 3.966 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.220 3.516 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.449 5.213 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.482 5.281 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.342 6.528 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.480 5.783 8.416 1.00 0.00 H new ATOM 1375 N LYS A 86 1.530 5.796 12.589 1.00 0.00 N ATOM 1376 CA LYS A 86 0.731 6.038 13.823 1.00 0.00 C ATOM 1377 C LYS A 86 -0.296 7.140 13.567 1.00 0.00 C ATOM 1378 O LYS A 86 -1.407 7.089 14.054 1.00 0.00 O ATOM 1379 CB LYS A 86 1.665 6.464 14.958 1.00 0.00 C ATOM 1380 CG LYS A 86 0.870 6.579 16.259 1.00 0.00 C ATOM 1381 CD LYS A 86 1.791 7.063 17.380 1.00 0.00 C ATOM 1382 CE LYS A 86 1.042 7.019 18.713 1.00 0.00 C ATOM 1383 NZ LYS A 86 0.418 5.677 18.888 1.00 0.00 N ATOM 0 H LYS A 86 2.539 5.891 12.702 1.00 0.00 H new ATOM 0 HA LYS A 86 0.211 5.121 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.469 5.737 15.074 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.132 7.420 14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.040 7.274 16.130 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.439 5.613 16.520 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.681 6.435 17.430 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.129 8.079 17.174 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.728 7.223 19.535 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.276 7.794 18.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.317 5.471 19.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.520 5.669 18.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.020 4.954 18.446 1.00 0.00 H new ATOM 1397 N LYS A 87 0.065 8.134 12.808 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.897 9.233 12.525 1.00 0.00 C ATOM 1399 C LYS A 87 -1.730 8.872 11.295 1.00 0.00 C ATOM 1400 O LYS A 87 -1.209 8.448 10.282 1.00 0.00 O ATOM 1401 CB LYS A 87 -0.129 10.530 12.260 1.00 0.00 C ATOM 1402 CG LYS A 87 0.624 10.946 13.526 1.00 0.00 C ATOM 1403 CD LYS A 87 1.296 12.301 13.300 1.00 0.00 C ATOM 1404 CE LYS A 87 2.143 12.660 14.521 1.00 0.00 C ATOM 1405 NZ LYS A 87 2.456 14.117 14.496 1.00 0.00 N ATOM 0 H LYS A 87 0.982 8.233 12.372 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.555 9.372 13.383 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.572 10.388 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.819 11.318 11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.065 11.006 14.368 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.372 10.195 13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.922 12.264 12.408 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.542 13.069 13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.607 12.408 15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.065 12.079 14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.032 14.363 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.984 14.344 13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.571 14.663 14.515 1.00 0.00 H new ATOM 1419 N GLU A 88 -3.020 9.039 11.373 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.886 8.707 10.207 1.00 0.00 C ATOM 1421 C GLU A 88 -3.606 9.694 9.074 1.00 0.00 C ATOM 1422 O GLU A 88 -3.912 9.440 7.925 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.358 8.793 10.623 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.759 10.257 10.825 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.168 10.322 11.415 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.786 9.277 11.541 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.607 11.416 11.733 1.00 0.00 O ATOM 0 H GLU A 88 -3.513 9.391 12.194 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.671 7.695 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.988 8.337 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.518 8.233 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.051 10.751 11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.726 10.789 9.874 1.00 0.00 H new ATOM 1434 N LYS A 89 -3.033 10.823 9.389 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.739 11.829 8.332 1.00 0.00 C ATOM 1436 C LYS A 89 -1.861 11.194 7.259 1.00 0.00 C ATOM 1437 O LYS A 89 -2.107 11.327 6.077 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.989 13.005 8.955 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.907 14.152 7.946 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.106 15.308 8.550 1.00 0.00 C ATOM 1441 CE LYS A 89 -1.136 16.506 7.600 1.00 0.00 C ATOM 1442 NZ LYS A 89 -0.964 17.764 8.381 1.00 0.00 N ATOM 0 H LYS A 89 -2.756 11.092 10.333 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.672 12.175 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.500 13.338 9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.987 12.695 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.433 13.808 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.909 14.489 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.525 15.587 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.076 14.997 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.343 16.415 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.080 16.529 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.984 18.579 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.735 17.851 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.052 17.741 8.880 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.837 10.500 7.664 1.00 0.00 N ATOM 1457 CA ASP A 90 0.060 9.852 6.671 1.00 0.00 C ATOM 1458 C ASP A 90 -0.750 8.861 5.837 1.00 0.00 C ATOM 1459 O ASP A 90 -0.652 8.826 4.626 1.00 0.00 O ATOM 1460 CB ASP A 90 1.174 9.109 7.406 1.00 0.00 C ATOM 1461 CG ASP A 90 2.062 10.118 8.139 1.00 0.00 C ATOM 1462 OD1 ASP A 90 1.946 11.298 7.852 1.00 0.00 O ATOM 1463 OD2 ASP A 90 2.843 9.691 8.974 1.00 0.00 O ATOM 0 H ASP A 90 -0.582 10.353 8.641 1.00 0.00 H new ATOM 0 HA ASP A 90 0.497 10.608 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.747 8.401 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.769 8.531 6.699 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.551 8.054 6.476 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.369 7.066 5.716 1.00 0.00 C ATOM 1470 C ARG A 91 -3.289 7.795 4.730 1.00 0.00 C ATOM 1471 O ARG A 91 -3.491 7.356 3.616 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.232 6.257 6.689 1.00 0.00 C ATOM 1473 CG ARG A 91 -2.336 5.451 7.628 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.202 4.551 8.511 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.196 5.383 9.244 1.00 0.00 N ATOM 1476 CZ ARG A 91 -4.805 4.901 10.293 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.543 3.690 10.701 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -5.678 5.631 10.932 1.00 0.00 N ATOM 0 H ARG A 91 -1.675 8.035 7.488 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.699 6.402 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.870 6.926 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.890 5.587 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.636 4.847 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.742 6.123 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.714 3.808 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.576 4.006 9.218 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.401 6.330 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.862 3.119 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.019 3.314 11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.884 6.577 10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.154 5.255 11.752 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.862 8.896 5.134 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.780 9.636 4.220 1.00 0.00 C ATOM 1494 C ASN A 92 -4.001 10.242 3.054 1.00 0.00 C ATOM 1495 O ASN A 92 -4.297 9.996 1.902 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.475 10.753 4.997 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.424 10.150 6.032 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.613 8.950 6.076 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -7.044 10.939 6.865 1.00 0.00 N ATOM 0 H ASN A 92 -3.735 9.315 6.055 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.519 8.939 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.733 11.380 5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.029 11.395 4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.688 10.549 7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.885 11.946 6.828 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.010 11.037 3.341 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.218 11.661 2.244 1.00 0.00 C ATOM 1508 C ASP A 93 -1.552 10.564 1.417 1.00 0.00 C ATOM 1509 O ASP A 93 -1.464 10.643 0.208 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.146 12.574 2.842 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.814 13.763 3.533 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -3.001 13.953 3.327 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.127 14.464 4.258 1.00 0.00 O ATOM 0 H ASP A 93 -2.714 11.282 4.286 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.877 12.250 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.539 12.019 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.475 12.926 2.059 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.081 9.540 2.068 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.413 8.428 1.341 1.00 0.00 C ATOM 1520 C LEU A 94 -1.366 7.834 0.308 1.00 0.00 C ATOM 1521 O LEU A 94 -1.060 7.746 -0.864 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.034 7.351 2.355 1.00 0.00 C ATOM 1523 CG LEU A 94 0.513 6.111 1.645 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.524 6.518 0.573 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.205 5.220 2.677 1.00 0.00 C ATOM 0 H LEU A 94 -1.131 9.425 3.080 1.00 0.00 H new ATOM 0 HA LEU A 94 0.474 8.801 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.714 7.741 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.907 7.081 2.950 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.308 5.575 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.906 5.626 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.038 7.162 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.350 7.056 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.600 4.332 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.022 5.770 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.487 4.922 3.441 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.518 7.423 0.742 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.505 6.826 -0.192 1.00 0.00 C ATOM 1539 C ILE A 95 -3.970 7.868 -1.206 1.00 0.00 C ATOM 1540 O ILE A 95 -4.265 7.552 -2.341 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.697 6.312 0.605 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.222 5.209 1.545 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.745 5.757 -0.351 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.382 4.754 2.432 1.00 0.00 C ATOM 0 H ILE A 95 -2.822 7.475 1.714 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.039 6.001 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.137 7.124 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.840 4.366 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.400 5.572 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.598 5.389 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.074 6.545 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.314 4.939 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.040 3.966 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.744 5.598 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.190 4.373 1.807 1.00 0.00 H new ATOM 1556 N THR A 96 -4.039 9.107 -0.813 1.00 0.00 N ATOM 1557 CA THR A 96 -4.485 10.153 -1.761 1.00 0.00 C ATOM 1558 C THR A 96 -3.656 10.044 -3.040 1.00 0.00 C ATOM 1559 O THR A 96 -4.167 10.145 -4.137 1.00 0.00 O ATOM 1560 CB THR A 96 -4.276 11.525 -1.121 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.869 11.538 0.170 1.00 0.00 O ATOM 1562 CG2 THR A 96 -4.924 12.594 -1.990 1.00 0.00 C ATOM 0 H THR A 96 -3.805 9.437 0.123 1.00 0.00 H new ATOM 0 HA THR A 96 -5.541 10.024 -2.000 1.00 0.00 H new ATOM 0 HB THR A 96 -3.209 11.728 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.299 11.045 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.775 13.573 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.470 12.582 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.992 12.393 -2.078 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.379 9.822 -2.904 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.511 9.685 -4.104 1.00 0.00 C ATOM 1572 C TYR A 97 -1.786 8.343 -4.785 1.00 0.00 C ATOM 1573 O TYR A 97 -1.910 8.259 -5.990 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.046 9.763 -3.676 1.00 0.00 C ATOM 1575 CG TYR A 97 0.840 9.468 -4.861 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.105 10.460 -5.811 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.398 8.195 -5.004 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.929 10.175 -6.908 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.220 7.908 -6.096 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.487 8.898 -7.050 1.00 0.00 C ATOM 1581 OH TYR A 97 3.298 8.616 -8.130 1.00 0.00 O ATOM 0 H TYR A 97 -1.898 9.729 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.725 10.490 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.176 10.754 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.149 9.049 -2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.675 11.444 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.193 7.431 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.134 10.939 -7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.650 6.923 -6.205 1.00 0.00 H new ATOM 0 HH TYR A 97 3.603 7.686 -8.076 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.877 7.291 -4.017 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.140 5.950 -4.613 1.00 0.00 C ATOM 1593 C LEU A 98 -3.472 5.973 -5.361 1.00 0.00 C ATOM 1594 O LEU A 98 -3.561 5.578 -6.506 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.204 4.911 -3.494 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.884 4.919 -2.721 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.991 3.994 -1.508 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.240 4.425 -3.630 1.00 0.00 C ATOM 0 H LEU A 98 -1.780 7.303 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.341 5.696 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.033 5.133 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.388 3.921 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.670 5.934 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.049 4.002 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.793 4.340 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.207 2.979 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.181 4.430 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.020 3.411 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.322 5.081 -4.496 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.507 6.444 -4.725 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.832 6.505 -5.402 1.00 0.00 C ATOM 1612 C LYS A 99 -5.736 7.434 -6.614 1.00 0.00 C ATOM 1613 O LYS A 99 -6.300 7.171 -7.657 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.881 7.028 -4.420 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.243 7.127 -5.116 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.267 7.730 -4.153 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.626 7.829 -4.849 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.703 7.437 -3.897 1.00 0.00 N ATOM 0 H LYS A 99 -4.493 6.790 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.124 5.509 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.950 6.363 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.583 8.007 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.162 7.745 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.570 6.139 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.349 7.112 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.940 8.718 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.792 8.847 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.646 7.180 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.187 6.587 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.287 7.236 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.389 8.214 -3.809 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.022 8.518 -6.483 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.884 9.464 -7.625 1.00 0.00 C ATOM 1634 C LYS A 100 -4.252 8.734 -8.806 1.00 0.00 C ATOM 1635 O LYS A 100 -4.670 8.870 -9.938 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.974 10.619 -7.212 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.032 11.723 -8.269 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.074 12.851 -7.882 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.257 14.029 -8.842 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.110 14.970 -8.698 1.00 0.00 N ATOM 0 H LYS A 100 -4.528 8.789 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.865 9.846 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.285 11.012 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.950 10.265 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.762 11.321 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.048 12.108 -8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.266 13.170 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.044 12.496 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.319 13.669 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.193 14.544 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.234 15.771 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.071 15.323 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.224 14.474 -8.923 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.248 7.952 -8.537 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.576 7.194 -9.627 1.00 0.00 C ATOM 1656 C ALA A 101 -3.541 6.135 -10.147 1.00 0.00 C ATOM 1657 O ALA A 101 -3.771 6.014 -11.333 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.315 6.519 -9.082 1.00 0.00 C ATOM 0 H ALA A 101 -2.861 7.804 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.294 7.870 -10.434 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.824 5.964 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.634 7.278 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.587 5.834 -8.279 1.00 0.00 H new ATOM 1664 N THR A 102 -4.126 5.382 -9.259 1.00 0.00 N ATOM 1665 CA THR A 102 -5.100 4.347 -9.689 1.00 0.00 C ATOM 1666 C THR A 102 -6.278 5.050 -10.357 1.00 0.00 C ATOM 1667 O THR A 102 -6.909 4.523 -11.252 1.00 0.00 O ATOM 1668 CB THR A 102 -5.591 3.563 -8.471 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.475 3.031 -7.770 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.501 2.421 -8.928 1.00 0.00 C ATOM 0 H THR A 102 -3.970 5.440 -8.253 1.00 0.00 H new ATOM 0 HA THR A 102 -4.630 3.653 -10.386 1.00 0.00 H new ATOM 0 HB THR A 102 -6.150 4.228 -7.813 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.065 3.735 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.850 1.864 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.357 2.830 -9.464 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.945 1.754 -9.587 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.576 6.246 -9.923 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.712 6.997 -10.526 1.00 0.00 C ATOM 1680 C GLU A 103 -7.283 7.575 -11.876 1.00 0.00 C ATOM 1681 O GLU A 103 -6.944 8.736 -11.986 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.125 8.135 -9.592 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.377 8.819 -10.143 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.733 10.020 -9.264 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.007 10.272 -8.317 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.726 10.667 -9.554 1.00 0.00 O ATOM 0 H GLU A 103 -6.081 6.734 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.556 6.323 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.320 7.747 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.314 8.857 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.205 9.144 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.208 8.114 -10.168 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.978 -2.975 1.415 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.459 -5.975 0.991 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.032 -1.404 0.892 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.497 0.027 1.818 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.940 -4.535 1.876 1.00 0.00 C HETATM 1699 NA HEC A 104 3.143 -3.560 1.027 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.669 -4.851 0.872 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.232 -4.860 0.613 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.854 -3.561 0.561 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.027 -2.773 0.848 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.492 -3.041 0.172 1.00 0.00 C HETATM 1705 CAA HEC A 104 0.302 -6.041 0.615 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.697 -6.004 -0.551 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.625 -7.308 -1.345 1.00 0.00 C HETATM 1708 O1A HEC A 104 0.347 -7.493 -2.055 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.553 -8.095 -1.237 1.00 0.00 O HETATM 1710 NB HEC A 104 4.389 -1.102 1.378 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.126 -0.619 1.131 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.084 0.820 1.178 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.352 1.238 1.387 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.148 0.039 1.564 1.00 0.00 C HETATM 1715 CMB HEC A 104 1.861 1.677 1.199 1.00 0.00 C HETATM 1716 CAB HEC A 104 4.840 2.631 1.163 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.134 3.669 2.038 1.00 0.00 C HETATM 1718 NC HEC A 104 6.805 -2.385 1.790 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.271 -1.096 1.920 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.681 -1.063 2.184 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.112 -2.339 2.140 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.934 -3.161 1.946 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.462 0.115 2.649 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.536 -2.764 2.072 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.255 -2.668 3.419 1.00 0.00 C HETATM 1726 ND HEC A 104 5.567 -4.840 1.445 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.840 -5.322 1.641 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.879 -6.762 1.612 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.613 -7.174 1.322 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.808 -5.976 1.262 1.00 0.00 C HETATM 1731 CMD HEC A 104 8.018 -7.600 2.078 1.00 0.00 C HETATM 1732 CAD HEC A 104 5.139 -8.557 0.974 1.00 0.00 C HETATM 1733 CBD HEC A 104 6.249 -9.541 0.588 1.00 0.00 C HETATM 1734 CGD HEC A 104 5.735 -10.481 -0.504 1.00 0.00 C HETATM 1735 O1D HEC A 104 4.610 -10.938 -0.382 1.00 0.00 O HETATM 1736 O2D HEC A 104 6.476 -10.733 -1.439 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.910 -7.354 1.502 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 8.204 -7.406 3.134 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 7.775 -8.654 1.939 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.377 0.919 1.918 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.072 0.454 3.609 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.510 -0.164 2.762 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.273 1.495 0.299 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.263 1.436 2.078 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.153 2.727 1.235 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.722 -3.353 -0.847 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.246 -3.438 0.852 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.491 -1.952 0.226 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 7.125 -8.998 0.233 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.561 -10.115 1.460 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.235 -1.636 3.770 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.754 -3.308 4.145 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.289 -2.992 3.303 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.065 3.658 1.825 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 4.297 3.430 3.089 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 4.537 4.659 1.825 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.707 -5.856 -0.170 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.476 -5.159 -1.203 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 4.593 -8.963 1.825 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.433 -8.486 0.147 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.886 -6.960 0.560 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.245 -6.067 1.557 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.896 -5.040 2.019 1.00 0.00 H new HETATM 0 HHC HEC A 104 6.991 0.990 1.949 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.082 -0.897 0.722 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.975 -6.943 0.860 1.00 0.00 H new