USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 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 62 ASN : amide:sc= -0.0341 K(o=0.69,f=-1.4!) USER MOD Set 1.2: A 65 SER OG : rot -61:sc= 0.726 USER MOD Set 2.1: A 40 SER OG : rot 2:sc= 0.537 USER MOD Set 2.2: A 52 ASN : amide:sc= -11.2! C(o=-11!,f=-7.6!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -17.3! C(o=-29!,f=-41!) USER MOD Set 3.2: A 31 ASN : amide:sc= -11.3! C(o=-29!,f=-36!) USER MOD Set 4.1: A 2 SER OG : rot 170:sc= -0.302 USER MOD Set 4.2: A 4 LYS NZ :NH3+ -109:sc= 0.51 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.111 USER MOD Single : A -2 LYS NZ :NH3+ -154:sc= -0.279 (180deg=-1.4!) USER MOD Single : A -5 THR N :NH3+ -162:sc= -0.12 (180deg=-0.843) USER MOD Single : A -5 THR OG1 : rot 31:sc= 0.595! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -78:sc= 0.456 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= -1.38 (180deg=-3.63!) USER MOD Single : A 33 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-6!) USER MOD Single : A 39 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.27) USER MOD Single : A 42 GLN : amide:sc= -1.25 K(o=-1.2,f=-11!) USER MOD Single : A 46 TYR OH : rot -90:sc= 0.283 USER MOD Single : A 47 SER OG : rot -34:sc= 0.0631 USER MOD Single : A 48 TYR OH : rot 145:sc= -2.46! USER MOD Single : A 49 THR OG1 : rot 140:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0407) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 0.637 (180deg=0.363) USER MOD Single : A 56 ASN : amide:sc= -1.95! C(o=-1.9!,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 169:sc= -0.269 (180deg=-0.531) USER MOD Single : A 67 TYR OH : rot -53:sc= -0.163 USER MOD Single : A 69 THR OG1 : rot 115:sc= -0.419 USER MOD Single : A 70 ASN : amide:sc= -3.5! K(o=-3.5!,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.00451) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -178:sc= -2.13 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -153:sc= -0.316 (180deg=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0169 K(o=-0.017,f=-1.7!) USER MOD Single : A 96 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.398 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -17.601 3.983 -0.304 1.00 0.00 N ATOM 2 CA THR A -5 -16.788 4.138 0.935 1.00 0.00 C ATOM 3 C THR A -5 -15.941 5.409 0.834 1.00 0.00 C ATOM 4 O THR A -5 -15.182 5.587 -0.098 1.00 0.00 O ATOM 5 CB THR A -5 -15.870 2.925 1.100 1.00 0.00 C ATOM 6 OG1 THR A -5 -14.937 2.891 0.028 1.00 0.00 O ATOM 7 CG2 THR A -5 -16.707 1.645 1.091 1.00 0.00 C ATOM 0 H1 THR A -5 -18.382 3.320 -0.126 1.00 0.00 H new ATOM 0 H2 THR A -5 -17.988 4.907 -0.583 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.001 3.614 -1.069 1.00 0.00 H new ATOM 0 HA THR A -5 -17.451 4.211 1.797 1.00 0.00 H new ATOM 0 HB THR A -5 -15.335 2.999 2.047 1.00 0.00 H new ATOM 0 HG1 THR A -5 -14.742 3.806 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A -5 -16.052 0.781 1.209 1.00 0.00 H new ATOM 0 HG22 THR A -5 -17.423 1.672 1.913 1.00 0.00 H new ATOM 0 HG23 THR A -5 -17.243 1.568 0.145 1.00 0.00 H new ATOM 17 N GLU A -4 -16.067 6.294 1.787 1.00 0.00 N ATOM 18 CA GLU A -4 -15.272 7.555 1.752 1.00 0.00 C ATOM 19 C GLU A -4 -14.200 7.514 2.843 1.00 0.00 C ATOM 20 O GLU A -4 -14.336 6.822 3.832 1.00 0.00 O ATOM 21 CB GLU A -4 -16.200 8.747 1.995 1.00 0.00 C ATOM 22 CG GLU A -4 -17.267 8.795 0.899 1.00 0.00 C ATOM 23 CD GLU A -4 -18.146 10.032 1.097 1.00 0.00 C ATOM 24 OE1 GLU A -4 -18.009 10.674 2.124 1.00 0.00 O ATOM 25 OE2 GLU A -4 -18.941 10.315 0.216 1.00 0.00 O ATOM 0 H GLU A -4 -16.688 6.197 2.590 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.794 7.657 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.672 8.660 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.626 9.674 1.999 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.794 8.825 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.878 7.893 0.931 1.00 0.00 H new ATOM 32 N PHE A -3 -13.135 8.250 2.670 1.00 0.00 N ATOM 33 CA PHE A -3 -12.056 8.256 3.697 1.00 0.00 C ATOM 34 C PHE A -3 -11.623 9.697 3.978 1.00 0.00 C ATOM 35 O PHE A -3 -11.863 10.592 3.192 1.00 0.00 O ATOM 36 CB PHE A -3 -10.858 7.453 3.182 1.00 0.00 C ATOM 37 CG PHE A -3 -10.285 8.130 1.959 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.817 7.853 0.693 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.224 9.033 2.091 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.285 8.481 -0.441 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.693 9.660 0.958 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.225 9.384 -0.308 1.00 0.00 C ATOM 0 H PHE A -3 -12.966 8.848 1.861 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.428 7.805 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -10.097 7.377 3.959 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.166 6.437 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.636 7.156 0.591 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.815 9.246 3.068 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.693 8.268 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.874 10.356 1.060 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.816 9.869 -1.182 1.00 0.00 H new ATOM 52 N LYS A -2 -10.988 9.927 5.095 1.00 0.00 N ATOM 53 CA LYS A -2 -10.542 11.309 5.429 1.00 0.00 C ATOM 54 C LYS A -2 -9.225 11.611 4.711 1.00 0.00 C ATOM 55 O LYS A -2 -8.321 10.799 4.689 1.00 0.00 O ATOM 56 CB LYS A -2 -10.337 11.424 6.944 1.00 0.00 C ATOM 57 CG LYS A -2 -10.052 12.881 7.325 1.00 0.00 C ATOM 58 CD LYS A -2 -11.365 13.666 7.411 1.00 0.00 C ATOM 59 CE LYS A -2 -11.092 15.053 7.997 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.305 14.915 9.255 1.00 0.00 N ATOM 0 H LYS A -2 -10.759 9.217 5.791 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.300 12.023 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.225 11.070 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.508 10.789 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -9.532 12.920 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.394 13.337 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.811 13.759 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.081 13.131 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -10.544 15.662 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.032 15.566 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.485 15.735 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -10.589 14.045 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -9.291 14.869 9.027 1.00 0.00 H new ATOM 74 N ALA A -1 -9.112 12.775 4.126 1.00 0.00 N ATOM 75 CA ALA A -1 -7.858 13.139 3.408 1.00 0.00 C ATOM 76 C ALA A -1 -7.224 14.362 4.076 1.00 0.00 C ATOM 77 O ALA A -1 -7.567 14.723 5.183 1.00 0.00 O ATOM 78 CB ALA A -1 -8.183 13.466 1.950 1.00 0.00 C ATOM 0 H ALA A -1 -9.838 13.491 4.116 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.161 12.302 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.266 13.732 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.635 12.596 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.880 14.303 1.912 1.00 0.00 H new ATOM 84 N GLY A 1 -6.300 15.003 3.411 1.00 0.00 N ATOM 85 CA GLY A 1 -5.646 16.200 4.011 1.00 0.00 C ATOM 86 C GLY A 1 -4.733 16.862 2.977 1.00 0.00 C ATOM 87 O GLY A 1 -5.050 17.899 2.428 1.00 0.00 O ATOM 0 H GLY A 1 -5.971 14.749 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.402 16.908 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.067 15.909 4.888 1.00 0.00 H new ATOM 91 N SER A 2 -3.602 16.270 2.704 1.00 0.00 N ATOM 92 CA SER A 2 -2.671 16.860 1.710 1.00 0.00 C ATOM 93 C SER A 2 -2.061 15.742 0.863 1.00 0.00 C ATOM 94 O SER A 2 -1.188 15.021 1.304 1.00 0.00 O ATOM 95 CB SER A 2 -1.563 17.612 2.443 1.00 0.00 C ATOM 96 OG SER A 2 -0.688 18.209 1.495 1.00 0.00 O ATOM 0 H SER A 2 -3.285 15.399 3.130 1.00 0.00 H new ATOM 0 HA SER A 2 -3.211 17.551 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.994 18.377 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.008 16.928 3.086 1.00 0.00 H new ATOM 0 HG SER A 2 -0.076 18.820 1.955 1.00 0.00 H new ATOM 102 N ALA A 3 -2.515 15.592 -0.351 1.00 0.00 N ATOM 103 CA ALA A 3 -1.961 14.521 -1.227 1.00 0.00 C ATOM 104 C ALA A 3 -0.499 14.830 -1.543 1.00 0.00 C ATOM 105 O ALA A 3 0.297 13.945 -1.785 1.00 0.00 O ATOM 106 CB ALA A 3 -2.761 14.463 -2.529 1.00 0.00 C ATOM 0 H ALA A 3 -3.245 16.165 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.029 13.561 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.356 13.680 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.805 14.245 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.692 15.423 -3.041 1.00 0.00 H new ATOM 112 N LYS A 4 -0.143 16.084 -1.553 1.00 0.00 N ATOM 113 CA LYS A 4 1.262 16.460 -1.864 1.00 0.00 C ATOM 114 C LYS A 4 2.210 15.766 -0.883 1.00 0.00 C ATOM 115 O LYS A 4 3.216 15.204 -1.271 1.00 0.00 O ATOM 116 CB LYS A 4 1.407 17.975 -1.728 1.00 0.00 C ATOM 117 CG LYS A 4 0.463 18.663 -2.715 1.00 0.00 C ATOM 118 CD LYS A 4 -0.197 19.864 -2.037 1.00 0.00 C ATOM 119 CE LYS A 4 -1.370 19.383 -1.175 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.635 20.377 -0.097 1.00 0.00 N ATOM 0 H LYS A 4 -0.768 16.867 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 4 1.511 16.152 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.175 18.284 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.437 18.273 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.015 18.988 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.298 17.961 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.530 20.391 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.550 20.571 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.259 19.254 -1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.140 18.411 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.344 19.981 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.096 21.246 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.651 20.599 -0.071 1.00 0.00 H new ATOM 134 N LYS A 5 1.898 15.793 0.384 1.00 0.00 N ATOM 135 CA LYS A 5 2.781 15.129 1.379 1.00 0.00 C ATOM 136 C LYS A 5 2.789 13.621 1.126 1.00 0.00 C ATOM 137 O LYS A 5 3.819 12.979 1.165 1.00 0.00 O ATOM 138 CB LYS A 5 2.255 15.410 2.783 1.00 0.00 C ATOM 139 CG LYS A 5 2.356 16.908 3.078 1.00 0.00 C ATOM 140 CD LYS A 5 1.942 17.172 4.527 1.00 0.00 C ATOM 141 CE LYS A 5 1.927 18.679 4.788 1.00 0.00 C ATOM 142 NZ LYS A 5 3.311 19.147 5.081 1.00 0.00 N ATOM 0 H LYS A 5 1.070 16.246 0.771 1.00 0.00 H new ATOM 0 HA LYS A 5 3.796 15.515 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.219 15.082 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.829 14.845 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.376 17.254 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.714 17.468 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.955 16.750 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.636 16.681 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.530 19.205 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.269 18.907 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.301 20.172 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.674 18.654 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.926 18.943 4.268 1.00 0.00 H new ATOM 156 N GLY A 6 1.644 13.056 0.866 1.00 0.00 N ATOM 157 CA GLY A 6 1.571 11.590 0.609 1.00 0.00 C ATOM 158 C GLY A 6 2.319 11.254 -0.680 1.00 0.00 C ATOM 159 O GLY A 6 2.913 10.202 -0.808 1.00 0.00 O ATOM 0 H GLY A 6 0.752 13.548 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.005 11.043 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.530 11.277 0.529 1.00 0.00 H new ATOM 163 N ALA A 7 2.284 12.134 -1.640 1.00 0.00 N ATOM 164 CA ALA A 7 2.983 11.855 -2.923 1.00 0.00 C ATOM 165 C ALA A 7 4.472 11.653 -2.664 1.00 0.00 C ATOM 166 O ALA A 7 5.065 10.697 -3.116 1.00 0.00 O ATOM 167 CB ALA A 7 2.785 13.033 -3.879 1.00 0.00 C ATOM 0 H ALA A 7 1.803 13.032 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 7 2.570 10.951 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.297 12.829 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.721 13.173 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.196 13.938 -3.431 1.00 0.00 H new ATOM 173 N THR A 8 5.084 12.542 -1.937 1.00 0.00 N ATOM 174 CA THR A 8 6.534 12.391 -1.653 1.00 0.00 C ATOM 175 C THR A 8 6.741 11.321 -0.580 1.00 0.00 C ATOM 176 O THR A 8 7.756 10.654 -0.547 1.00 0.00 O ATOM 177 CB THR A 8 7.094 13.724 -1.163 1.00 0.00 C ATOM 178 OG1 THR A 8 6.558 14.020 0.119 1.00 0.00 O ATOM 179 CG2 THR A 8 6.715 14.833 -2.146 1.00 0.00 C ATOM 0 H THR A 8 4.643 13.366 -1.528 1.00 0.00 H new ATOM 0 HA THR A 8 7.053 12.090 -2.563 1.00 0.00 H new ATOM 0 HB THR A 8 8.180 13.658 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.636 13.692 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.116 15.784 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.129 14.606 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.629 14.901 -2.217 1.00 0.00 H new ATOM 187 N LEU A 9 5.791 11.152 0.301 1.00 0.00 N ATOM 188 CA LEU A 9 5.948 10.126 1.366 1.00 0.00 C ATOM 189 C LEU A 9 6.179 8.763 0.715 1.00 0.00 C ATOM 190 O LEU A 9 7.060 8.016 1.099 1.00 0.00 O ATOM 191 CB LEU A 9 4.674 10.078 2.211 1.00 0.00 C ATOM 192 CG LEU A 9 4.888 9.148 3.406 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.948 9.746 4.333 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.575 8.994 4.175 1.00 0.00 C ATOM 0 H LEU A 9 4.918 11.679 0.327 1.00 0.00 H new ATOM 0 HA LEU A 9 6.797 10.378 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.417 11.079 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.838 9.725 1.607 1.00 0.00 H new ATOM 0 HG LEU A 9 5.220 8.172 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.101 9.084 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.885 9.860 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.614 10.721 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.728 8.331 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.244 9.970 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.816 8.571 3.517 1.00 0.00 H new ATOM 206 N PHE A 10 5.406 8.444 -0.282 1.00 0.00 N ATOM 207 CA PHE A 10 5.585 7.141 -0.976 1.00 0.00 C ATOM 208 C PHE A 10 6.953 7.123 -1.654 1.00 0.00 C ATOM 209 O PHE A 10 7.671 6.145 -1.609 1.00 0.00 O ATOM 210 CB PHE A 10 4.492 6.972 -2.036 1.00 0.00 C ATOM 211 CG PHE A 10 4.653 5.637 -2.733 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.640 5.476 -3.714 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.811 4.564 -2.406 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.787 4.246 -4.366 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.956 3.332 -3.062 1.00 0.00 C ATOM 216 CZ PHE A 10 4.945 3.175 -4.042 1.00 0.00 C ATOM 0 H PHE A 10 4.656 9.031 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 10 5.518 6.327 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.509 7.033 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.550 7.782 -2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.288 6.302 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.051 4.686 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.551 4.123 -5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.306 2.506 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.058 2.227 -4.548 1.00 0.00 H new ATOM 226 N LYS A 11 7.306 8.200 -2.299 1.00 0.00 N ATOM 227 CA LYS A 11 8.612 8.258 -3.001 1.00 0.00 C ATOM 228 C LYS A 11 9.772 8.112 -2.013 1.00 0.00 C ATOM 229 O LYS A 11 10.799 7.543 -2.328 1.00 0.00 O ATOM 230 CB LYS A 11 8.739 9.600 -3.722 1.00 0.00 C ATOM 231 CG LYS A 11 7.677 9.701 -4.816 1.00 0.00 C ATOM 232 CD LYS A 11 7.891 10.985 -5.620 1.00 0.00 C ATOM 233 CE LYS A 11 6.757 11.148 -6.634 1.00 0.00 C ATOM 234 NZ LYS A 11 5.941 12.343 -6.277 1.00 0.00 N ATOM 0 H LYS A 11 6.740 9.046 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 11 8.655 7.436 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.621 10.418 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.734 9.697 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.734 8.834 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.681 9.699 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.921 11.845 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.851 10.948 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.166 11.260 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.131 10.256 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.170 12.455 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.540 12.218 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.543 13.191 -6.291 1.00 0.00 H new ATOM 248 N THR A 12 9.636 8.651 -0.834 1.00 0.00 N ATOM 249 CA THR A 12 10.748 8.576 0.151 1.00 0.00 C ATOM 250 C THR A 12 10.587 7.372 1.085 1.00 0.00 C ATOM 251 O THR A 12 11.347 7.216 2.021 1.00 0.00 O ATOM 252 CB THR A 12 10.754 9.858 0.981 1.00 0.00 C ATOM 253 OG1 THR A 12 9.543 9.948 1.718 1.00 0.00 O ATOM 254 CG2 THR A 12 10.884 11.068 0.055 1.00 0.00 C ATOM 0 H THR A 12 8.802 9.141 -0.510 1.00 0.00 H new ATOM 0 HA THR A 12 11.686 8.461 -0.392 1.00 0.00 H new ATOM 0 HB THR A 12 11.598 9.841 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.821 10.246 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.888 11.982 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.815 10.997 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.042 11.089 -0.637 1.00 0.00 H new ATOM 262 N ARG A 13 9.614 6.526 0.864 1.00 0.00 N ATOM 263 CA ARG A 13 9.447 5.358 1.781 1.00 0.00 C ATOM 264 C ARG A 13 9.114 4.078 1.006 1.00 0.00 C ATOM 265 O ARG A 13 9.892 3.145 0.981 1.00 0.00 O ATOM 266 CB ARG A 13 8.328 5.654 2.779 1.00 0.00 C ATOM 267 CG ARG A 13 8.777 6.773 3.722 1.00 0.00 C ATOM 268 CD ARG A 13 7.734 6.970 4.823 1.00 0.00 C ATOM 269 NE ARG A 13 8.105 8.154 5.649 1.00 0.00 N ATOM 270 CZ ARG A 13 7.556 8.333 6.820 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.674 7.479 7.264 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.888 9.365 7.545 1.00 0.00 N ATOM 0 H ARG A 13 8.939 6.590 0.102 1.00 0.00 H new ATOM 0 HA ARG A 13 10.389 5.200 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.422 5.950 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.086 4.757 3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.742 6.525 4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.910 7.700 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.747 7.114 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.677 6.079 5.449 1.00 0.00 H new ATOM 0 HE ARG A 13 8.789 8.825 5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.414 6.672 6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.245 7.618 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.577 10.032 7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.459 9.505 8.460 1.00 0.00 H new ATOM 286 N CYS A 14 7.966 4.008 0.393 1.00 0.00 N ATOM 287 CA CYS A 14 7.604 2.764 -0.349 1.00 0.00 C ATOM 288 C CYS A 14 8.543 2.571 -1.543 1.00 0.00 C ATOM 289 O CYS A 14 8.796 1.461 -1.968 1.00 0.00 O ATOM 290 CB CYS A 14 6.160 2.845 -0.845 1.00 0.00 C ATOM 291 SG CYS A 14 5.128 3.831 0.285 1.00 0.00 S ATOM 0 H CYS A 14 7.267 4.750 0.372 1.00 0.00 H new ATOM 0 HA CYS A 14 7.703 1.916 0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.139 3.289 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.747 1.840 -0.935 1.00 0.00 H new ATOM 296 N LEU A 15 9.059 3.634 -2.094 1.00 0.00 N ATOM 297 CA LEU A 15 9.973 3.493 -3.265 1.00 0.00 C ATOM 298 C LEU A 15 11.122 2.547 -2.915 1.00 0.00 C ATOM 299 O LEU A 15 11.596 1.798 -3.746 1.00 0.00 O ATOM 300 CB LEU A 15 10.542 4.860 -3.639 1.00 0.00 C ATOM 301 CG LEU A 15 11.397 4.740 -4.906 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.504 4.454 -6.116 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.152 6.051 -5.133 1.00 0.00 C ATOM 0 H LEU A 15 8.889 4.592 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 15 9.413 3.087 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.730 5.569 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.145 5.250 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 15 12.106 3.921 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.120 4.370 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.965 3.520 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.790 5.268 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.761 5.969 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.438 6.866 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.796 6.253 -4.277 1.00 0.00 H new ATOM 315 N GLN A 16 11.584 2.583 -1.698 1.00 0.00 N ATOM 316 CA GLN A 16 12.714 1.697 -1.304 1.00 0.00 C ATOM 317 C GLN A 16 12.352 0.230 -1.558 1.00 0.00 C ATOM 318 O GLN A 16 13.192 -0.557 -1.948 1.00 0.00 O ATOM 319 CB GLN A 16 13.016 1.895 0.182 1.00 0.00 C ATOM 320 CG GLN A 16 13.511 3.323 0.417 1.00 0.00 C ATOM 321 CD GLN A 16 13.760 3.539 1.910 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.294 2.776 2.733 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.481 4.555 2.298 1.00 0.00 N ATOM 0 H GLN A 16 11.228 3.188 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 16 13.591 1.953 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.120 1.707 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.770 1.179 0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.429 3.498 -0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.774 4.039 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.872 5.196 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.653 4.708 3.292 1.00 0.00 H new ATOM 332 N CYS A 17 11.120 -0.150 -1.332 1.00 0.00 N ATOM 333 CA CYS A 17 10.726 -1.575 -1.552 1.00 0.00 C ATOM 334 C CYS A 17 9.734 -1.692 -2.712 1.00 0.00 C ATOM 335 O CYS A 17 9.853 -2.563 -3.550 1.00 0.00 O ATOM 336 CB CYS A 17 10.085 -2.130 -0.277 1.00 0.00 C ATOM 337 SG CYS A 17 11.292 -2.101 1.084 1.00 0.00 S ATOM 0 H CYS A 17 10.372 0.462 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 17 11.620 -2.148 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.210 -1.537 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.740 -3.150 -0.447 1.00 0.00 H new ATOM 342 N HIS A 18 8.750 -0.842 -2.765 1.00 0.00 N ATOM 343 CA HIS A 18 7.750 -0.941 -3.870 1.00 0.00 C ATOM 344 C HIS A 18 8.045 0.069 -4.969 1.00 0.00 C ATOM 345 O HIS A 18 8.617 1.112 -4.743 1.00 0.00 O ATOM 346 CB HIS A 18 6.350 -0.623 -3.359 1.00 0.00 C ATOM 347 CG HIS A 18 5.952 -1.554 -2.261 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.627 -2.886 -2.488 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.749 -1.335 -0.930 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.234 -3.407 -1.308 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.292 -2.493 -0.337 1.00 0.00 N ATOM 0 H HIS A 18 8.592 -0.087 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 18 7.810 -1.960 -4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.316 0.405 -2.998 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.635 -0.696 -4.179 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.676 -3.378 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.920 -0.399 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.914 -4.429 -1.167 1.00 0.00 H new ATOM 359 N THR A 19 7.597 -0.224 -6.152 1.00 0.00 N ATOM 360 CA THR A 19 7.772 0.720 -7.285 1.00 0.00 C ATOM 361 C THR A 19 6.395 0.932 -7.922 1.00 0.00 C ATOM 362 O THR A 19 5.703 -0.014 -8.242 1.00 0.00 O ATOM 363 CB THR A 19 8.728 0.125 -8.314 1.00 0.00 C ATOM 364 OG1 THR A 19 9.921 -0.292 -7.667 1.00 0.00 O ATOM 365 CG2 THR A 19 9.060 1.175 -9.375 1.00 0.00 C ATOM 0 H THR A 19 7.110 -1.089 -6.386 1.00 0.00 H new ATOM 0 HA THR A 19 8.187 1.665 -6.936 1.00 0.00 H new ATOM 0 HB THR A 19 8.256 -0.733 -8.792 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.535 -0.676 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.743 0.747 -10.109 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.144 1.491 -9.873 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.530 2.036 -8.900 1.00 0.00 H new ATOM 373 N VAL A 20 5.980 2.154 -8.099 1.00 0.00 N ATOM 374 CA VAL A 20 4.636 2.399 -8.701 1.00 0.00 C ATOM 375 C VAL A 20 4.668 2.070 -10.193 1.00 0.00 C ATOM 376 O VAL A 20 3.645 1.974 -10.835 1.00 0.00 O ATOM 377 CB VAL A 20 4.250 3.866 -8.514 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.223 4.202 -7.024 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.277 4.753 -9.219 1.00 0.00 C ATOM 0 H VAL A 20 6.508 2.992 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 20 3.902 1.762 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 20 3.262 4.040 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.948 5.248 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.492 3.568 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.210 4.029 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.005 5.800 -9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.264 4.578 -8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.296 4.514 -10.282 1.00 0.00 H new ATOM 389 N GLU A 21 5.830 1.896 -10.755 1.00 0.00 N ATOM 390 CA GLU A 21 5.899 1.573 -12.204 1.00 0.00 C ATOM 391 C GLU A 21 5.046 0.330 -12.473 1.00 0.00 C ATOM 392 O GLU A 21 4.979 -0.571 -11.662 1.00 0.00 O ATOM 393 CB GLU A 21 7.351 1.295 -12.600 1.00 0.00 C ATOM 394 CG GLU A 21 7.449 1.145 -14.119 1.00 0.00 C ATOM 395 CD GLU A 21 8.879 0.764 -14.504 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.694 0.615 -13.607 1.00 0.00 O ATOM 397 OE2 GLU A 21 9.137 0.627 -15.688 1.00 0.00 O ATOM 0 H GLU A 21 6.729 1.963 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 21 5.525 2.413 -12.789 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.993 2.109 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.704 0.387 -12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.752 0.381 -14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.167 2.078 -14.606 1.00 0.00 H new ATOM 404 N LYS A 22 4.392 0.275 -13.600 1.00 0.00 N ATOM 405 CA LYS A 22 3.545 -0.912 -13.906 1.00 0.00 C ATOM 406 C LYS A 22 4.384 -2.178 -13.741 1.00 0.00 C ATOM 407 O LYS A 22 3.883 -3.231 -13.399 1.00 0.00 O ATOM 408 CB LYS A 22 3.035 -0.817 -15.346 1.00 0.00 C ATOM 409 CG LYS A 22 2.050 -1.956 -15.615 1.00 0.00 C ATOM 410 CD LYS A 22 1.587 -1.898 -17.073 1.00 0.00 C ATOM 411 CE LYS A 22 0.507 -2.954 -17.313 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.439 -2.469 -18.358 1.00 0.00 N ATOM 0 H LYS A 22 4.407 0.997 -14.320 1.00 0.00 H new ATOM 0 HA LYS A 22 2.694 -0.945 -13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.548 0.145 -15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.871 -0.873 -16.043 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.524 -2.916 -15.411 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.193 -1.875 -14.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.197 -0.906 -17.302 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.432 -2.070 -17.740 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.964 -3.892 -17.628 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.030 -3.157 -16.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.174 -3.187 -18.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.884 -1.584 -18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.080 -2.297 -19.243 1.00 0.00 H new ATOM 426 N GLY A 23 5.660 -2.075 -13.977 1.00 0.00 N ATOM 427 CA GLY A 23 6.550 -3.261 -13.831 1.00 0.00 C ATOM 428 C GLY A 23 7.906 -2.807 -13.292 1.00 0.00 C ATOM 429 O GLY A 23 8.785 -2.426 -14.039 1.00 0.00 O ATOM 0 H GLY A 23 6.129 -1.216 -14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.100 -3.987 -13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.675 -3.758 -14.793 1.00 0.00 H new ATOM 433 N GLY A 24 8.079 -2.837 -11.997 1.00 0.00 N ATOM 434 CA GLY A 24 9.375 -2.401 -11.403 1.00 0.00 C ATOM 435 C GLY A 24 10.121 -3.615 -10.854 1.00 0.00 C ATOM 436 O GLY A 24 9.560 -4.683 -10.702 1.00 0.00 O ATOM 0 H GLY A 24 7.377 -3.145 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.982 -1.899 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.197 -1.680 -10.605 1.00 0.00 H new ATOM 440 N PRO A 25 11.379 -3.448 -10.556 1.00 0.00 N ATOM 441 CA PRO A 25 12.227 -4.540 -10.005 1.00 0.00 C ATOM 442 C PRO A 25 11.868 -4.855 -8.552 1.00 0.00 C ATOM 443 O PRO A 25 11.625 -3.969 -7.757 1.00 0.00 O ATOM 444 CB PRO A 25 13.646 -3.979 -10.095 1.00 0.00 C ATOM 445 CG PRO A 25 13.480 -2.499 -10.047 1.00 0.00 C ATOM 446 CD PRO A 25 12.134 -2.194 -10.707 1.00 0.00 C ATOM 0 HA PRO A 25 12.098 -5.475 -10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.264 -4.334 -9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.136 -4.291 -11.017 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.499 -2.139 -9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.293 -2.000 -10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.628 -1.361 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.255 -1.923 -11.756 1.00 0.00 H new ATOM 454 N HIS A 26 11.837 -6.105 -8.199 1.00 0.00 N ATOM 455 CA HIS A 26 11.498 -6.472 -6.797 1.00 0.00 C ATOM 456 C HIS A 26 12.798 -6.689 -6.022 1.00 0.00 C ATOM 457 O HIS A 26 12.974 -7.690 -5.356 1.00 0.00 O ATOM 458 CB HIS A 26 10.689 -7.769 -6.796 1.00 0.00 C ATOM 459 CG HIS A 26 9.558 -7.651 -7.769 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.486 -6.793 -7.570 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.321 -8.284 -8.955 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.658 -6.934 -8.622 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.124 -7.831 -9.493 1.00 0.00 N ATOM 0 H HIS A 26 12.032 -6.891 -8.819 1.00 0.00 H new ATOM 0 HA HIS A 26 10.912 -5.678 -6.333 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.329 -8.610 -7.065 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.304 -7.969 -5.796 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.350 -6.170 -6.774 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.966 -9.024 -9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.733 -6.390 -8.745 1.00 0.00 H new ATOM 472 N LYS A 27 13.721 -5.772 -6.122 1.00 0.00 N ATOM 473 CA LYS A 27 15.019 -5.946 -5.408 1.00 0.00 C ATOM 474 C LYS A 27 14.767 -6.228 -3.925 1.00 0.00 C ATOM 475 O LYS A 27 15.339 -7.135 -3.353 1.00 0.00 O ATOM 476 CB LYS A 27 15.851 -4.670 -5.548 1.00 0.00 C ATOM 477 CG LYS A 27 17.221 -4.881 -4.904 1.00 0.00 C ATOM 478 CD LYS A 27 18.092 -3.644 -5.136 1.00 0.00 C ATOM 479 CE LYS A 27 17.500 -2.449 -4.384 1.00 0.00 C ATOM 480 NZ LYS A 27 16.494 -1.769 -5.247 1.00 0.00 N ATOM 0 H LYS A 27 13.634 -4.913 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 27 15.557 -6.787 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.968 -4.413 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.338 -3.835 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.108 -5.063 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.702 -5.762 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.109 -3.834 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.150 -3.423 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.033 -2.783 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.290 -1.751 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.758 -0.770 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.464 -2.233 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.557 -1.829 -4.800 1.00 0.00 H new ATOM 494 N VAL A 28 13.914 -5.470 -3.298 1.00 0.00 N ATOM 495 CA VAL A 28 13.630 -5.713 -1.856 1.00 0.00 C ATOM 496 C VAL A 28 12.354 -6.544 -1.726 1.00 0.00 C ATOM 497 O VAL A 28 12.386 -7.700 -1.352 1.00 0.00 O ATOM 498 CB VAL A 28 13.443 -4.378 -1.138 1.00 0.00 C ATOM 499 CG1 VAL A 28 14.046 -4.464 0.264 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.145 -3.271 -1.928 1.00 0.00 C ATOM 0 H VAL A 28 13.402 -4.695 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 28 14.465 -6.250 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 28 12.379 -4.152 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.913 -3.511 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.546 -5.252 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.110 -4.690 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.012 -2.318 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.209 -3.497 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.715 -3.209 -2.928 1.00 0.00 H new ATOM 510 N GLY A 29 11.229 -5.958 -2.036 1.00 0.00 N ATOM 511 CA GLY A 29 9.941 -6.699 -1.937 1.00 0.00 C ATOM 512 C GLY A 29 9.152 -6.513 -3.233 1.00 0.00 C ATOM 513 O GLY A 29 9.531 -5.744 -4.093 1.00 0.00 O ATOM 0 H GLY A 29 11.148 -4.993 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.130 -7.758 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.362 -6.333 -1.089 1.00 0.00 H new ATOM 517 N PRO A 30 8.058 -7.212 -3.367 1.00 0.00 N ATOM 518 CA PRO A 30 7.193 -7.124 -4.575 1.00 0.00 C ATOM 519 C PRO A 30 6.838 -5.672 -4.905 1.00 0.00 C ATOM 520 O PRO A 30 6.672 -4.849 -4.026 1.00 0.00 O ATOM 521 CB PRO A 30 5.933 -7.922 -4.207 1.00 0.00 C ATOM 522 CG PRO A 30 6.047 -8.247 -2.749 1.00 0.00 C ATOM 523 CD PRO A 30 7.525 -8.158 -2.386 1.00 0.00 C ATOM 0 HA PRO A 30 7.692 -7.516 -5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.033 -7.340 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.862 -8.832 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.461 -7.549 -2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.659 -9.245 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.668 -7.802 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.015 -9.129 -2.456 1.00 0.00 H new ATOM 531 N ASN A 31 6.735 -5.347 -6.162 1.00 0.00 N ATOM 532 CA ASN A 31 6.406 -3.946 -6.542 1.00 0.00 C ATOM 533 C ASN A 31 4.907 -3.835 -6.828 1.00 0.00 C ATOM 534 O ASN A 31 4.362 -4.566 -7.630 1.00 0.00 O ATOM 535 CB ASN A 31 7.215 -3.568 -7.781 1.00 0.00 C ATOM 536 CG ASN A 31 8.683 -3.916 -7.539 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.375 -4.347 -8.438 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.189 -3.748 -6.347 1.00 0.00 N ATOM 0 H ASN A 31 6.864 -5.990 -6.943 1.00 0.00 H new ATOM 0 HA ASN A 31 6.657 -3.266 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.840 -4.103 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.109 -2.503 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.167 -3.979 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.607 -3.386 -5.592 1.00 0.00 H new ATOM 545 N LEU A 32 4.230 -2.944 -6.149 1.00 0.00 N ATOM 546 CA LEU A 32 2.764 -2.807 -6.348 1.00 0.00 C ATOM 547 C LEU A 32 2.430 -1.552 -7.158 1.00 0.00 C ATOM 548 O LEU A 32 3.137 -0.564 -7.129 1.00 0.00 O ATOM 549 CB LEU A 32 2.092 -2.698 -4.985 1.00 0.00 C ATOM 550 CG LEU A 32 2.589 -3.817 -4.067 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.726 -3.859 -2.806 1.00 0.00 C ATOM 552 CD2 LEU A 32 2.497 -5.163 -4.791 1.00 0.00 C ATOM 0 H LEU A 32 4.635 -2.306 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 32 2.406 -3.680 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.309 -1.727 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.010 -2.762 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 32 3.627 -3.625 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.078 -4.655 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.795 -2.904 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.688 -4.048 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.852 -5.955 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.461 -5.358 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.113 -5.135 -5.690 1.00 0.00 H new ATOM 564 N HIS A 33 1.335 -1.592 -7.866 1.00 0.00 N ATOM 565 CA HIS A 33 0.902 -0.422 -8.675 1.00 0.00 C ATOM 566 C HIS A 33 -0.482 -0.702 -9.265 1.00 0.00 C ATOM 567 O HIS A 33 -0.619 -1.419 -10.237 1.00 0.00 O ATOM 568 CB HIS A 33 1.896 -0.181 -9.811 1.00 0.00 C ATOM 569 CG HIS A 33 1.360 0.891 -10.718 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.328 2.228 -10.347 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.828 0.841 -11.984 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.795 2.921 -11.370 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.474 2.122 -12.389 1.00 0.00 N ATOM 0 H HIS A 33 0.714 -2.399 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 33 0.862 0.462 -8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.863 0.118 -9.407 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.056 -1.102 -10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.704 -0.056 -12.573 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.646 3.991 -11.367 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.056 2.394 -13.279 1.00 0.00 H new ATOM 582 N GLY A 34 -1.508 -0.139 -8.690 1.00 0.00 N ATOM 583 CA GLY A 34 -2.879 -0.370 -9.225 1.00 0.00 C ATOM 584 C GLY A 34 -3.525 -1.561 -8.512 1.00 0.00 C ATOM 585 O GLY A 34 -4.579 -2.027 -8.900 1.00 0.00 O ATOM 0 H GLY A 34 -1.457 0.470 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.488 0.523 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.833 -0.559 -10.298 1.00 0.00 H new ATOM 589 N ILE A 35 -2.912 -2.059 -7.472 1.00 0.00 N ATOM 590 CA ILE A 35 -3.510 -3.218 -6.751 1.00 0.00 C ATOM 591 C ILE A 35 -4.821 -2.790 -6.097 1.00 0.00 C ATOM 592 O ILE A 35 -5.599 -3.606 -5.649 1.00 0.00 O ATOM 593 CB ILE A 35 -2.537 -3.717 -5.680 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.363 -2.655 -4.581 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.186 -4.004 -6.332 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.497 -3.218 -3.453 1.00 0.00 C ATOM 0 H ILE A 35 -2.029 -1.716 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.706 -4.023 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.934 -4.626 -5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.899 -1.760 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.337 -2.358 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.486 -4.360 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.308 -4.766 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.799 -3.091 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.376 -2.463 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.978 -4.100 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.519 -3.493 -3.848 1.00 0.00 H new ATOM 608 N PHE A 36 -5.065 -1.514 -6.033 1.00 0.00 N ATOM 609 CA PHE A 36 -6.318 -1.024 -5.401 1.00 0.00 C ATOM 610 C PHE A 36 -7.518 -1.789 -5.965 1.00 0.00 C ATOM 611 O PHE A 36 -8.508 -1.983 -5.291 1.00 0.00 O ATOM 612 CB PHE A 36 -6.473 0.470 -5.688 1.00 0.00 C ATOM 613 CG PHE A 36 -5.611 1.263 -4.732 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.210 1.173 -4.793 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.217 2.094 -3.781 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.425 1.914 -3.899 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.431 2.833 -2.891 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.037 2.742 -2.949 1.00 0.00 C ATOM 0 H PHE A 36 -4.448 -0.786 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.272 -1.186 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.184 0.685 -6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.517 0.764 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.740 0.535 -5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.294 2.164 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.348 1.847 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.901 3.474 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.431 3.311 -2.260 1.00 0.00 H new ATOM 628 N GLY A 37 -7.439 -2.224 -7.195 1.00 0.00 N ATOM 629 CA GLY A 37 -8.579 -2.977 -7.798 1.00 0.00 C ATOM 630 C GLY A 37 -8.191 -4.445 -7.997 1.00 0.00 C ATOM 631 O GLY A 37 -8.618 -5.083 -8.939 1.00 0.00 O ATOM 0 H GLY A 37 -6.635 -2.091 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.454 -2.908 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.854 -2.532 -8.754 1.00 0.00 H new ATOM 635 N ARG A 38 -7.382 -4.987 -7.125 1.00 0.00 N ATOM 636 CA ARG A 38 -6.968 -6.414 -7.278 1.00 0.00 C ATOM 637 C ARG A 38 -7.037 -7.135 -5.932 1.00 0.00 C ATOM 638 O ARG A 38 -7.196 -6.527 -4.892 1.00 0.00 O ATOM 639 CB ARG A 38 -5.535 -6.481 -7.811 1.00 0.00 C ATOM 640 CG ARG A 38 -5.466 -5.872 -9.215 1.00 0.00 C ATOM 641 CD ARG A 38 -6.070 -6.843 -10.236 1.00 0.00 C ATOM 642 NE ARG A 38 -5.704 -6.403 -11.613 1.00 0.00 N ATOM 643 CZ ARG A 38 -5.989 -7.161 -12.637 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.592 -8.304 -12.455 1.00 0.00 N ATOM 645 NH2 ARG A 38 -5.670 -6.776 -13.842 1.00 0.00 N ATOM 0 H ARG A 38 -6.991 -4.505 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.646 -6.900 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.864 -5.945 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.197 -7.517 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.006 -4.925 -9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.430 -5.654 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.703 -7.853 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.154 -6.874 -10.128 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.231 -5.510 -11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.841 -8.605 -11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.815 -8.896 -13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.198 -5.883 -13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.893 -7.368 -14.642 1.00 0.00 H new ATOM 659 N HIS A 39 -6.915 -8.435 -5.952 1.00 0.00 N ATOM 660 CA HIS A 39 -6.970 -9.217 -4.685 1.00 0.00 C ATOM 661 C HIS A 39 -5.568 -9.362 -4.104 1.00 0.00 C ATOM 662 O HIS A 39 -4.583 -9.356 -4.816 1.00 0.00 O ATOM 663 CB HIS A 39 -7.526 -10.613 -4.966 1.00 0.00 C ATOM 664 CG HIS A 39 -9.027 -10.555 -5.032 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.690 -9.736 -5.930 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.008 -11.220 -4.336 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.009 -9.927 -5.760 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.255 -10.819 -4.800 1.00 0.00 N ATOM 0 H HIS A 39 -6.779 -8.991 -6.796 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.612 -8.693 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.125 -10.993 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.213 -11.304 -4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.836 -11.942 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.774 -9.421 -6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.167 -11.140 -4.475 1.00 0.00 H new ATOM 677 N SER A 40 -5.472 -9.502 -2.814 1.00 0.00 N ATOM 678 CA SER A 40 -4.137 -9.660 -2.186 1.00 0.00 C ATOM 679 C SER A 40 -3.430 -10.849 -2.824 1.00 0.00 C ATOM 680 O SER A 40 -3.985 -11.921 -2.941 1.00 0.00 O ATOM 681 CB SER A 40 -4.306 -9.928 -0.693 1.00 0.00 C ATOM 682 OG SER A 40 -3.458 -9.057 0.043 1.00 0.00 O ATOM 0 H SER A 40 -6.261 -9.514 -2.168 1.00 0.00 H new ATOM 0 HA SER A 40 -3.553 -8.751 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.345 -9.775 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.061 -10.966 -0.469 1.00 0.00 H new ATOM 0 HG SER A 40 -2.981 -8.465 -0.575 1.00 0.00 H new ATOM 688 N GLY A 41 -2.208 -10.674 -3.228 1.00 0.00 N ATOM 689 CA GLY A 41 -1.471 -11.806 -3.848 1.00 0.00 C ATOM 690 C GLY A 41 -1.438 -11.649 -5.366 1.00 0.00 C ATOM 691 O GLY A 41 -0.920 -12.496 -6.067 1.00 0.00 O ATOM 0 H GLY A 41 -1.688 -9.800 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.454 -11.844 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.950 -12.749 -3.583 1.00 0.00 H new ATOM 695 N GLN A 42 -1.982 -10.581 -5.884 1.00 0.00 N ATOM 696 CA GLN A 42 -1.968 -10.396 -7.365 1.00 0.00 C ATOM 697 C GLN A 42 -0.968 -9.304 -7.743 1.00 0.00 C ATOM 698 O GLN A 42 -1.121 -8.153 -7.384 1.00 0.00 O ATOM 699 CB GLN A 42 -3.365 -10.007 -7.841 1.00 0.00 C ATOM 700 CG GLN A 42 -4.325 -11.158 -7.550 1.00 0.00 C ATOM 701 CD GLN A 42 -5.734 -10.783 -8.014 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.020 -9.626 -8.250 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.631 -11.719 -8.158 1.00 0.00 N ATOM 0 H GLN A 42 -2.431 -9.835 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.670 -11.329 -7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.698 -9.101 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.352 -9.788 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.991 -12.061 -8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.330 -11.379 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.391 -12.690 -7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.573 -11.480 -8.469 1.00 0.00 H new ATOM 712 N ALA A 43 0.050 -9.659 -8.477 1.00 0.00 N ATOM 713 CA ALA A 43 1.060 -8.648 -8.890 1.00 0.00 C ATOM 714 C ALA A 43 1.510 -8.937 -10.324 1.00 0.00 C ATOM 715 O ALA A 43 1.629 -10.075 -10.732 1.00 0.00 O ATOM 716 CB ALA A 43 2.266 -8.716 -7.952 1.00 0.00 C ATOM 0 H ALA A 43 0.225 -10.608 -8.809 1.00 0.00 H new ATOM 0 HA ALA A 43 0.620 -7.652 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.005 -7.975 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.945 -8.511 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.709 -9.711 -8.000 1.00 0.00 H new ATOM 722 N GLU A 44 1.767 -7.912 -11.085 1.00 0.00 N ATOM 723 CA GLU A 44 2.216 -8.113 -12.490 1.00 0.00 C ATOM 724 C GLU A 44 3.710 -8.421 -12.498 1.00 0.00 C ATOM 725 O GLU A 44 4.196 -9.194 -13.299 1.00 0.00 O ATOM 726 CB GLU A 44 1.950 -6.842 -13.300 1.00 0.00 C ATOM 727 CG GLU A 44 0.442 -6.594 -13.380 1.00 0.00 C ATOM 728 CD GLU A 44 0.172 -5.366 -14.250 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.125 -4.688 -14.597 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.984 -5.123 -14.555 1.00 0.00 O ATOM 0 H GLU A 44 1.685 -6.938 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 44 1.668 -8.943 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.445 -5.990 -12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.366 -6.943 -14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.059 -7.467 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.034 -6.441 -12.381 1.00 0.00 H new ATOM 737 N GLY A 45 4.442 -7.812 -11.608 1.00 0.00 N ATOM 738 CA GLY A 45 5.907 -8.058 -11.554 1.00 0.00 C ATOM 739 C GLY A 45 6.176 -9.343 -10.774 1.00 0.00 C ATOM 740 O GLY A 45 6.569 -10.345 -11.336 1.00 0.00 O ATOM 0 H GLY A 45 4.087 -7.153 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.311 -8.141 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.411 -7.217 -11.077 1.00 0.00 H new ATOM 744 N TYR A 46 5.970 -9.324 -9.482 1.00 0.00 N ATOM 745 CA TYR A 46 6.220 -10.551 -8.675 1.00 0.00 C ATOM 746 C TYR A 46 5.059 -10.829 -7.738 1.00 0.00 C ATOM 747 O TYR A 46 4.493 -9.938 -7.136 1.00 0.00 O ATOM 748 CB TYR A 46 7.503 -10.385 -7.858 1.00 0.00 C ATOM 749 CG TYR A 46 7.495 -11.361 -6.704 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.274 -12.723 -6.940 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.702 -10.902 -5.397 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.264 -13.626 -5.869 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.691 -11.804 -4.327 1.00 0.00 C ATOM 754 CZ TYR A 46 7.472 -13.166 -4.563 1.00 0.00 C ATOM 755 OH TYR A 46 7.461 -14.056 -3.508 1.00 0.00 O ATOM 0 H TYR A 46 5.641 -8.515 -8.955 1.00 0.00 H new ATOM 0 HA TYR A 46 6.326 -11.392 -9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.374 -10.559 -8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.579 -9.364 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.111 -13.077 -7.947 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.870 -9.851 -5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.096 -14.677 -6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.851 -11.449 -3.320 1.00 0.00 H new ATOM 0 HH TYR A 46 6.549 -14.140 -3.160 1.00 0.00 H new ATOM 765 N SER A 47 4.712 -12.077 -7.601 1.00 0.00 N ATOM 766 CA SER A 47 3.603 -12.440 -6.694 1.00 0.00 C ATOM 767 C SER A 47 4.029 -12.142 -5.262 1.00 0.00 C ATOM 768 O SER A 47 5.201 -12.061 -4.951 1.00 0.00 O ATOM 769 CB SER A 47 3.288 -13.929 -6.841 1.00 0.00 C ATOM 770 OG SER A 47 4.292 -14.688 -6.180 1.00 0.00 O ATOM 0 H SER A 47 5.154 -12.860 -8.082 1.00 0.00 H new ATOM 0 HA SER A 47 2.712 -11.864 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.309 -14.149 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.245 -14.201 -7.896 1.00 0.00 H new ATOM 0 HG SER A 47 5.156 -14.235 -6.269 1.00 0.00 H new ATOM 776 N TYR A 48 3.087 -11.972 -4.393 1.00 0.00 N ATOM 777 CA TYR A 48 3.415 -11.670 -2.973 1.00 0.00 C ATOM 778 C TYR A 48 4.038 -12.900 -2.306 1.00 0.00 C ATOM 779 O TYR A 48 4.467 -13.828 -2.963 1.00 0.00 O ATOM 780 CB TYR A 48 2.139 -11.289 -2.229 1.00 0.00 C ATOM 781 CG TYR A 48 1.584 -9.987 -2.772 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.082 -9.911 -4.080 1.00 0.00 C ATOM 783 CD2 TYR A 48 1.561 -8.854 -1.954 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.563 -8.705 -4.561 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.043 -7.647 -2.437 1.00 0.00 C ATOM 786 CZ TYR A 48 0.543 -7.573 -3.741 1.00 0.00 C ATOM 787 OH TYR A 48 0.028 -6.385 -4.216 1.00 0.00 O ATOM 0 H TYR A 48 2.090 -12.029 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 48 4.125 -10.844 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.398 -12.081 -2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.347 -11.188 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.096 -10.784 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.944 -8.910 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.177 -8.648 -5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.029 -6.773 -1.803 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.421 -5.908 -3.487 1.00 0.00 H new ATOM 797 N THR A 49 4.081 -12.910 -1.001 1.00 0.00 N ATOM 798 CA THR A 49 4.663 -14.075 -0.274 1.00 0.00 C ATOM 799 C THR A 49 3.736 -15.283 -0.437 1.00 0.00 C ATOM 800 O THR A 49 2.537 -15.139 -0.564 1.00 0.00 O ATOM 801 CB THR A 49 4.797 -13.729 1.212 1.00 0.00 C ATOM 802 OG1 THR A 49 5.575 -12.548 1.352 1.00 0.00 O ATOM 803 CG2 THR A 49 5.477 -14.882 1.950 1.00 0.00 C ATOM 0 H THR A 49 3.736 -12.158 -0.404 1.00 0.00 H new ATOM 0 HA THR A 49 5.646 -14.311 -0.681 1.00 0.00 H new ATOM 0 HB THR A 49 3.807 -13.566 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.189 -11.984 2.054 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.571 -14.633 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.878 -15.786 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.468 -15.050 1.528 1.00 0.00 H new ATOM 811 N ASP A 50 4.277 -16.471 -0.447 1.00 0.00 N ATOM 812 CA ASP A 50 3.415 -17.672 -0.619 1.00 0.00 C ATOM 813 C ASP A 50 2.287 -17.651 0.414 1.00 0.00 C ATOM 814 O ASP A 50 1.162 -18.004 0.119 1.00 0.00 O ATOM 815 CB ASP A 50 4.262 -18.932 -0.432 1.00 0.00 C ATOM 816 CG ASP A 50 4.752 -19.018 1.016 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.793 -17.989 1.669 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.079 -20.112 1.446 1.00 0.00 O ATOM 0 H ASP A 50 5.274 -16.660 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 50 2.982 -17.669 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.675 -19.816 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.113 -18.914 -1.113 1.00 0.00 H new ATOM 823 N ALA A 51 2.563 -17.229 1.617 1.00 0.00 N ATOM 824 CA ALA A 51 1.487 -17.178 2.646 1.00 0.00 C ATOM 825 C ALA A 51 0.486 -16.089 2.259 1.00 0.00 C ATOM 826 O ALA A 51 -0.713 -16.295 2.259 1.00 0.00 O ATOM 827 CB ALA A 51 2.097 -16.852 4.011 1.00 0.00 C ATOM 0 H ALA A 51 3.483 -16.919 1.931 1.00 0.00 H new ATOM 0 HA ALA A 51 0.982 -18.143 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.308 -16.815 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.819 -17.623 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.599 -15.885 3.964 1.00 0.00 H new ATOM 833 N ASN A 52 0.978 -14.932 1.915 1.00 0.00 N ATOM 834 CA ASN A 52 0.074 -13.822 1.510 1.00 0.00 C ATOM 835 C ASN A 52 -0.762 -14.257 0.308 1.00 0.00 C ATOM 836 O ASN A 52 -1.950 -14.011 0.240 1.00 0.00 O ATOM 837 CB ASN A 52 0.915 -12.603 1.129 1.00 0.00 C ATOM 838 CG ASN A 52 -0.003 -11.468 0.681 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.211 -11.579 0.764 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.520 -10.373 0.202 1.00 0.00 N ATOM 0 H ASN A 52 1.973 -14.707 1.897 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.588 -13.569 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.517 -12.283 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.607 -12.862 0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.084 -9.610 -0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.533 -10.280 0.132 1.00 0.00 H new ATOM 847 N ILE A 53 -0.149 -14.905 -0.639 1.00 0.00 N ATOM 848 CA ILE A 53 -0.900 -15.363 -1.839 1.00 0.00 C ATOM 849 C ILE A 53 -1.958 -16.384 -1.423 1.00 0.00 C ATOM 850 O ILE A 53 -3.014 -16.473 -2.018 1.00 0.00 O ATOM 851 CB ILE A 53 0.066 -15.992 -2.835 1.00 0.00 C ATOM 852 CG1 ILE A 53 1.053 -14.927 -3.320 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.715 -16.549 -4.026 1.00 0.00 C ATOM 854 CD1 ILE A 53 2.158 -15.591 -4.143 1.00 0.00 C ATOM 0 H ILE A 53 0.844 -15.139 -0.634 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.392 -14.511 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 53 0.611 -16.804 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.533 -14.182 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.485 -14.402 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.022 -16.998 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.419 -17.305 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.261 -15.741 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.860 -14.832 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.684 -16.319 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.718 -16.096 -5.003 1.00 0.00 H new ATOM 866 N LYS A 54 -1.692 -17.153 -0.402 1.00 0.00 N ATOM 867 CA LYS A 54 -2.696 -18.157 0.042 1.00 0.00 C ATOM 868 C LYS A 54 -4.014 -17.441 0.332 1.00 0.00 C ATOM 869 O LYS A 54 -5.075 -17.889 -0.056 1.00 0.00 O ATOM 870 CB LYS A 54 -2.202 -18.848 1.310 1.00 0.00 C ATOM 871 CG LYS A 54 -3.211 -19.916 1.732 1.00 0.00 C ATOM 872 CD LYS A 54 -2.747 -20.572 3.034 1.00 0.00 C ATOM 873 CE LYS A 54 -3.667 -21.747 3.370 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.296 -22.924 2.535 1.00 0.00 N ATOM 0 H LYS A 54 -0.828 -17.129 0.140 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.843 -18.904 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.227 -19.302 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.073 -18.118 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.195 -19.468 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.310 -20.668 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.719 -20.919 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.759 -19.844 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.583 -21.997 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.706 -21.472 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.815 -23.762 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.541 -22.736 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.273 -23.096 2.613 1.00 0.00 H new ATOM 888 N LYS A 55 -3.951 -16.321 0.996 1.00 0.00 N ATOM 889 CA LYS A 55 -5.196 -15.561 1.297 1.00 0.00 C ATOM 890 C LYS A 55 -5.283 -14.360 0.353 1.00 0.00 C ATOM 891 O LYS A 55 -4.367 -13.566 0.267 1.00 0.00 O ATOM 892 CB LYS A 55 -5.163 -15.070 2.746 1.00 0.00 C ATOM 893 CG LYS A 55 -6.539 -14.520 3.127 1.00 0.00 C ATOM 894 CD LYS A 55 -6.492 -13.961 4.549 1.00 0.00 C ATOM 895 CE LYS A 55 -7.905 -13.580 4.994 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.893 -13.234 6.443 1.00 0.00 N ATOM 0 H LYS A 55 -3.090 -15.899 1.344 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.064 -16.206 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.889 -15.888 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.405 -14.296 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.836 -13.738 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.288 -15.309 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.073 -14.702 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.840 -13.089 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.266 -12.733 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.591 -14.408 4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.706 -12.623 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.953 -14.105 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.012 -12.732 6.673 1.00 0.00 H new ATOM 910 N ASN A 56 -6.372 -14.221 -0.357 1.00 0.00 N ATOM 911 CA ASN A 56 -6.509 -13.070 -1.298 1.00 0.00 C ATOM 912 C ASN A 56 -7.790 -12.296 -0.986 1.00 0.00 C ATOM 913 O ASN A 56 -8.860 -12.864 -0.887 1.00 0.00 O ATOM 914 CB ASN A 56 -6.583 -13.588 -2.731 1.00 0.00 C ATOM 915 CG ASN A 56 -6.147 -15.054 -2.770 1.00 0.00 C ATOM 916 OD1 ASN A 56 -4.972 -15.354 -2.684 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.051 -15.987 -2.897 1.00 0.00 N ATOM 0 H ASN A 56 -7.171 -14.854 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.646 -12.414 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.600 -13.490 -3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.941 -12.990 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.772 -16.968 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.037 -15.735 -2.969 1.00 0.00 H new ATOM 924 N VAL A 57 -7.688 -11.004 -0.842 1.00 0.00 N ATOM 925 CA VAL A 57 -8.896 -10.185 -0.549 1.00 0.00 C ATOM 926 C VAL A 57 -8.947 -8.994 -1.502 1.00 0.00 C ATOM 927 O VAL A 57 -7.951 -8.342 -1.748 1.00 0.00 O ATOM 928 CB VAL A 57 -8.834 -9.683 0.892 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.083 -8.856 1.202 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.764 -10.877 1.846 1.00 0.00 C ATOM 0 H VAL A 57 -6.817 -10.479 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.789 -10.795 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.948 -9.062 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.037 -8.499 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.133 -8.004 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.971 -9.475 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.720 -10.519 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.650 -11.499 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.873 -11.465 1.628 1.00 0.00 H new ATOM 940 N LEU A 58 -10.100 -8.693 -2.035 1.00 0.00 N ATOM 941 CA LEU A 58 -10.200 -7.534 -2.961 1.00 0.00 C ATOM 942 C LEU A 58 -9.647 -6.302 -2.263 1.00 0.00 C ATOM 943 O LEU A 58 -9.818 -6.117 -1.074 1.00 0.00 O ATOM 944 CB LEU A 58 -11.660 -7.291 -3.339 1.00 0.00 C ATOM 945 CG LEU A 58 -11.760 -6.061 -4.248 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.026 -6.330 -5.563 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.232 -5.770 -4.543 1.00 0.00 C ATOM 0 H LEU A 58 -10.971 -9.197 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.630 -7.740 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.064 -8.166 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.258 -7.141 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.306 -5.205 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.099 -5.453 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.977 -6.542 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.478 -7.186 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.308 -4.896 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.680 -6.630 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.759 -5.577 -3.609 1.00 0.00 H new ATOM 959 N TRP A 59 -8.980 -5.456 -2.992 1.00 0.00 N ATOM 960 CA TRP A 59 -8.411 -4.239 -2.371 1.00 0.00 C ATOM 961 C TRP A 59 -9.306 -3.036 -2.655 1.00 0.00 C ATOM 962 O TRP A 59 -9.895 -2.914 -3.710 1.00 0.00 O ATOM 963 CB TRP A 59 -7.015 -3.996 -2.936 1.00 0.00 C ATOM 964 CG TRP A 59 -6.035 -4.849 -2.202 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.245 -5.795 -2.762 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.739 -4.857 -0.777 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.467 -6.367 -1.770 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.740 -5.825 -0.531 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.233 -4.120 0.314 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.249 -6.054 0.753 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.743 -4.349 1.606 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.750 -5.315 1.826 1.00 0.00 C ATOM 0 H TRP A 59 -8.806 -5.557 -3.992 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.349 -4.378 -1.292 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.994 -4.230 -4.000 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.747 -2.944 -2.836 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.225 -6.060 -3.809 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.777 -7.099 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.996 -3.372 0.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.485 -6.799 0.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.132 -3.779 2.437 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.374 -5.487 2.824 1.00 0.00 H new ATOM 983 N ASP A 60 -9.407 -2.144 -1.710 1.00 0.00 N ATOM 984 CA ASP A 60 -10.255 -0.939 -1.900 1.00 0.00 C ATOM 985 C ASP A 60 -9.600 0.238 -1.179 1.00 0.00 C ATOM 986 O ASP A 60 -8.776 0.057 -0.304 1.00 0.00 O ATOM 987 CB ASP A 60 -11.645 -1.192 -1.311 1.00 0.00 C ATOM 988 CG ASP A 60 -12.581 -0.046 -1.698 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.159 0.805 -2.464 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.704 -0.037 -1.222 1.00 0.00 O ATOM 0 H ASP A 60 -8.934 -2.200 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.354 -0.717 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.041 -2.139 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.582 -1.273 -0.226 1.00 0.00 H new ATOM 995 N GLU A 61 -9.949 1.439 -1.537 1.00 0.00 N ATOM 996 CA GLU A 61 -9.333 2.615 -0.867 1.00 0.00 C ATOM 997 C GLU A 61 -9.536 2.492 0.643 1.00 0.00 C ATOM 998 O GLU A 61 -8.670 2.827 1.427 1.00 0.00 O ATOM 999 CB GLU A 61 -10.015 3.887 -1.372 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.827 3.994 -2.885 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.492 5.272 -3.395 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.129 5.943 -2.599 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.361 5.554 -4.574 1.00 0.00 O ATOM 0 H GLU A 61 -10.632 1.658 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.267 2.657 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.077 3.866 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.591 4.761 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.765 4.002 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.261 3.124 -3.378 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.674 2.007 1.055 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.937 1.854 2.513 1.00 0.00 C ATOM 1012 C ASN A 62 -10.213 0.612 3.046 1.00 0.00 C ATOM 1013 O ASN A 62 -9.585 0.647 4.085 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.442 1.703 2.746 1.00 0.00 C ATOM 1015 CG ASN A 62 -12.753 1.913 4.229 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.868 2.191 5.014 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -13.983 1.791 4.649 1.00 0.00 N ATOM 0 H ASN A 62 -11.435 1.709 0.444 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.571 2.736 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.989 2.428 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.772 0.713 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.201 1.929 5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.726 1.558 3.990 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.303 -0.489 2.347 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.631 -1.730 2.819 1.00 0.00 C ATOM 1026 C ASN A 63 -8.120 -1.513 2.891 1.00 0.00 C ATOM 1027 O ASN A 63 -7.465 -1.938 3.823 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.934 -2.868 1.843 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.431 -3.178 1.864 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.137 -2.764 2.762 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.948 -3.897 0.905 1.00 0.00 N ATOM 0 H ASN A 63 -10.814 -0.580 1.469 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.002 -1.984 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.624 -2.589 0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.365 -3.756 2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.945 -4.112 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.355 -4.244 0.151 1.00 0.00 H new ATOM 1038 N MET A 64 -7.559 -0.857 1.915 1.00 0.00 N ATOM 1039 CA MET A 64 -6.094 -0.618 1.930 1.00 0.00 C ATOM 1040 C MET A 64 -5.719 0.239 3.139 1.00 0.00 C ATOM 1041 O MET A 64 -4.675 0.064 3.731 1.00 0.00 O ATOM 1042 CB MET A 64 -5.676 0.094 0.643 1.00 0.00 C ATOM 1043 CG MET A 64 -5.766 -0.875 -0.535 1.00 0.00 C ATOM 1044 SD MET A 64 -4.822 -0.218 -1.931 1.00 0.00 S ATOM 1045 CE MET A 64 -3.173 -0.660 -1.319 1.00 0.00 C ATOM 0 H MET A 64 -8.054 -0.477 1.108 1.00 0.00 H new ATOM 0 HA MET A 64 -5.576 -1.575 1.997 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.320 0.956 0.467 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.658 0.471 0.739 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.377 -1.852 -0.247 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.808 -1.019 -0.822 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.441 -0.522 -2.114 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.916 -0.022 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.170 -1.702 -1.001 1.00 0.00 H new ATOM 1055 N SER A 65 -6.558 1.164 3.513 1.00 0.00 N ATOM 1056 CA SER A 65 -6.228 2.023 4.683 1.00 0.00 C ATOM 1057 C SER A 65 -5.987 1.137 5.905 1.00 0.00 C ATOM 1058 O SER A 65 -5.142 1.420 6.731 1.00 0.00 O ATOM 1059 CB SER A 65 -7.392 2.975 4.963 1.00 0.00 C ATOM 1060 OG SER A 65 -8.511 2.226 5.419 1.00 0.00 O ATOM 0 H SER A 65 -7.452 1.361 3.063 1.00 0.00 H new ATOM 0 HA SER A 65 -5.331 2.604 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.103 3.711 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.652 3.526 4.059 1.00 0.00 H new ATOM 0 HG SER A 65 -8.782 1.588 4.726 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.716 0.063 6.025 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.517 -0.838 7.192 1.00 0.00 C ATOM 1068 C GLU A 66 -5.131 -1.483 7.102 1.00 0.00 C ATOM 1069 O GLU A 66 -4.440 -1.631 8.091 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.589 -1.926 7.174 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.967 -1.283 7.339 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.059 -0.613 8.711 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -8.244 -0.932 9.560 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -9.944 0.208 8.890 1.00 0.00 O ATOM 0 H GLU A 66 -7.439 -0.229 5.367 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.592 -0.267 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.544 -2.481 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.411 -2.641 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.133 -0.547 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.746 -2.038 7.239 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.721 -1.869 5.923 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.381 -2.503 5.772 1.00 0.00 C ATOM 1083 C TYR A 67 -2.285 -1.491 6.105 1.00 0.00 C ATOM 1084 O TYR A 67 -1.321 -1.804 6.776 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.196 -2.984 4.336 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.868 -3.692 4.217 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.775 -5.065 4.485 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.726 -2.974 3.843 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.540 -5.716 4.377 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.507 -3.626 3.735 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.600 -4.997 4.002 1.00 0.00 C ATOM 1092 OH TYR A 67 1.815 -5.640 3.890 1.00 0.00 O ATOM 0 H TYR A 67 -5.256 -1.772 5.060 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.314 -3.350 6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.007 -3.657 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.234 -2.139 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.655 -5.620 4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.797 -1.916 3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.467 -6.774 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.387 -3.071 3.446 1.00 0.00 H new ATOM 0 HH TYR A 67 2.008 -6.121 4.722 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.418 -0.280 5.639 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.375 0.740 5.928 1.00 0.00 C ATOM 1104 C LEU A 68 -1.113 0.792 7.431 1.00 0.00 C ATOM 1105 O LEU A 68 0.015 0.902 7.870 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.863 2.103 5.443 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.053 2.077 3.926 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.553 3.442 3.451 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.717 1.767 3.249 1.00 0.00 C ATOM 0 H LEU A 68 -3.201 0.045 5.073 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.451 0.478 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.803 2.358 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.143 2.875 5.715 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.782 1.309 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.688 3.424 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.504 3.669 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.823 4.208 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.853 1.748 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.010 2.536 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.355 0.796 3.586 1.00 0.00 H new ATOM 1121 N THR A 69 -2.139 0.703 8.229 1.00 0.00 N ATOM 1122 CA THR A 69 -1.934 0.735 9.699 1.00 0.00 C ATOM 1123 C THR A 69 -0.991 -0.404 10.088 1.00 0.00 C ATOM 1124 O THR A 69 -0.117 -0.248 10.917 1.00 0.00 O ATOM 1125 CB THR A 69 -3.282 0.551 10.394 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.209 1.500 9.886 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.109 0.759 11.894 1.00 0.00 C ATOM 0 H THR A 69 -3.108 0.610 7.926 1.00 0.00 H new ATOM 0 HA THR A 69 -1.500 1.688 10.001 1.00 0.00 H new ATOM 0 HB THR A 69 -3.656 -0.456 10.207 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.929 1.033 9.412 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.069 0.628 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.396 0.031 12.282 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.737 1.766 12.081 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.164 -1.547 9.484 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.283 -2.706 9.796 1.00 0.00 C ATOM 1137 C ASN A 70 0.085 -3.417 8.495 1.00 0.00 C ATOM 1138 O ASN A 70 -0.774 -3.823 7.738 1.00 0.00 O ATOM 1139 CB ASN A 70 -1.022 -3.680 10.712 1.00 0.00 C ATOM 1140 CG ASN A 70 -0.029 -4.680 11.306 1.00 0.00 C ATOM 1141 OD1 ASN A 70 0.876 -4.301 12.023 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -0.161 -5.949 11.037 1.00 0.00 N ATOM 0 H ASN A 70 -1.883 -1.728 8.783 1.00 0.00 H new ATOM 0 HA ASN A 70 0.620 -2.355 10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.525 -3.134 11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.794 -4.208 10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.496 -6.624 11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.921 -6.266 10.435 1.00 0.00 H new ATOM 1149 N HIS A 71 1.349 -3.573 8.222 1.00 0.00 N ATOM 1150 CA HIS A 71 1.746 -4.257 6.962 1.00 0.00 C ATOM 1151 C HIS A 71 1.133 -5.658 6.923 1.00 0.00 C ATOM 1152 O HIS A 71 1.346 -6.410 5.995 1.00 0.00 O ATOM 1153 CB HIS A 71 3.272 -4.360 6.876 1.00 0.00 C ATOM 1154 CG HIS A 71 3.772 -3.507 5.739 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.066 -2.158 5.902 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.029 -3.790 4.415 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.477 -1.685 4.710 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.470 -2.637 3.778 1.00 0.00 N ATOM 0 H HIS A 71 2.119 -3.259 8.812 1.00 0.00 H new ATOM 0 HA HIS A 71 1.382 -3.677 6.114 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.722 -4.034 7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.569 -5.398 6.723 1.00 0.00 H new ATOM 0 HD1 HIS A 71 3.985 -1.624 6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.907 -4.755 3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.775 -0.662 4.532 1.00 0.00 H new ATOM 1166 N ALA A 72 0.375 -6.024 7.920 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.235 -7.381 7.913 1.00 0.00 C ATOM 1168 C ALA A 72 -1.442 -7.429 8.854 1.00 0.00 C ATOM 1169 O ALA A 72 -1.347 -7.840 9.994 1.00 0.00 O ATOM 1170 CB ALA A 72 0.807 -8.406 8.352 1.00 0.00 C ATOM 0 H ALA A 72 0.154 -5.447 8.732 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.574 -7.614 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.363 -9.401 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.652 -8.383 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.151 -8.167 9.358 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.584 -7.026 8.379 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.798 -7.070 9.238 1.00 0.00 C ATOM 1178 C LYS A 73 -4.578 -8.343 8.907 1.00 0.00 C ATOM 1179 O LYS A 73 -4.510 -9.327 9.615 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.670 -5.843 8.967 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.805 -5.792 9.991 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.711 -4.596 9.692 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.735 -4.438 10.817 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.106 -3.727 11.965 1.00 0.00 N ATOM 0 H LYS A 73 -2.730 -6.668 7.435 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.512 -7.069 10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.069 -4.935 9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.078 -5.889 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.382 -6.716 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.397 -5.709 10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.114 -3.689 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.221 -4.741 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.600 -3.880 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.096 -5.416 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.512 -4.078 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.080 -3.900 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.286 -2.706 11.882 1.00 0.00 H new ATOM 1198 N TYR A 74 -5.302 -8.337 7.821 1.00 0.00 N ATOM 1199 CA TYR A 74 -6.067 -9.553 7.429 1.00 0.00 C ATOM 1200 C TYR A 74 -5.093 -10.597 6.879 1.00 0.00 C ATOM 1201 O TYR A 74 -5.318 -11.787 6.973 1.00 0.00 O ATOM 1202 CB TYR A 74 -7.089 -9.191 6.348 1.00 0.00 C ATOM 1203 CG TYR A 74 -8.050 -8.159 6.887 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -9.110 -8.552 7.713 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -7.883 -6.808 6.559 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -10.002 -7.595 8.211 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -8.775 -5.851 7.056 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.835 -6.244 7.882 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.713 -5.301 8.373 1.00 0.00 O ATOM 0 H TYR A 74 -5.396 -7.542 7.189 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.590 -9.954 8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.579 -8.803 5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.634 -10.082 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.240 -9.594 7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.065 -6.504 5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.819 -7.898 8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.646 -4.809 6.802 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.454 -4.413 8.050 1.00 0.00 H new ATOM 1219 N ILE A 75 -4.011 -10.152 6.296 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.013 -11.102 5.726 1.00 0.00 C ATOM 1221 C ILE A 75 -2.279 -11.829 6.868 1.00 0.00 C ATOM 1222 O ILE A 75 -1.574 -11.206 7.638 1.00 0.00 O ATOM 1223 CB ILE A 75 -1.998 -10.311 4.900 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.734 -9.282 4.040 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -1.221 -11.267 3.994 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.741 -8.605 3.094 1.00 0.00 C ATOM 0 H ILE A 75 -3.775 -9.165 6.190 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.519 -11.835 5.099 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.305 -9.800 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.524 -9.769 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.213 -8.537 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.498 -10.703 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.697 -12.002 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.914 -11.778 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.265 -7.872 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.967 -8.105 3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.283 -9.355 2.450 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.428 -13.132 6.990 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.748 -13.910 8.069 1.00 0.00 C ATOM 1240 C PRO A 76 -0.244 -13.639 8.146 1.00 0.00 C ATOM 1241 O PRO A 76 0.451 -13.686 7.152 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.993 -15.373 7.692 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.196 -15.372 6.811 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.257 -14.003 6.134 1.00 0.00 C ATOM 0 HA PRO A 76 -2.140 -13.635 9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.130 -15.793 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.160 -15.983 8.580 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.130 -16.167 6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.100 -15.554 7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.869 -14.045 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.282 -13.637 6.069 1.00 0.00 H new ATOM 1252 N GLY A 77 0.240 -13.377 9.340 1.00 0.00 N ATOM 1253 CA GLY A 77 1.698 -13.109 9.572 1.00 0.00 C ATOM 1254 C GLY A 77 2.432 -12.821 8.262 1.00 0.00 C ATOM 1255 O GLY A 77 3.399 -13.477 7.931 1.00 0.00 O ATOM 0 H GLY A 77 -0.331 -13.337 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.810 -12.260 10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.153 -13.969 10.063 1.00 0.00 H new ATOM 1259 N THR A 78 1.992 -11.848 7.514 1.00 0.00 N ATOM 1260 CA THR A 78 2.687 -11.541 6.236 1.00 0.00 C ATOM 1261 C THR A 78 4.043 -10.906 6.551 1.00 0.00 C ATOM 1262 O THR A 78 4.320 -10.546 7.678 1.00 0.00 O ATOM 1263 CB THR A 78 1.830 -10.581 5.398 1.00 0.00 C ATOM 1264 OG1 THR A 78 1.778 -11.055 4.061 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.428 -9.169 5.412 1.00 0.00 C ATOM 0 H THR A 78 1.189 -11.258 7.730 1.00 0.00 H new ATOM 0 HA THR A 78 2.840 -12.457 5.665 1.00 0.00 H new ATOM 0 HB THR A 78 0.827 -10.539 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.252 -10.435 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.806 -8.504 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.469 -8.801 6.437 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.435 -9.196 4.996 1.00 0.00 H new ATOM 1273 N LYS A 79 4.892 -10.759 5.571 1.00 0.00 N ATOM 1274 CA LYS A 79 6.220 -10.140 5.836 1.00 0.00 C ATOM 1275 C LYS A 79 6.013 -8.684 6.261 1.00 0.00 C ATOM 1276 O LYS A 79 5.232 -7.963 5.673 1.00 0.00 O ATOM 1277 CB LYS A 79 7.064 -10.180 4.561 1.00 0.00 C ATOM 1278 CG LYS A 79 7.337 -11.631 4.166 1.00 0.00 C ATOM 1279 CD LYS A 79 8.285 -11.660 2.965 1.00 0.00 C ATOM 1280 CE LYS A 79 8.457 -13.100 2.479 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.893 -13.487 2.573 1.00 0.00 N ATOM 0 H LYS A 79 4.725 -11.039 4.605 1.00 0.00 H new ATOM 0 HA LYS A 79 6.732 -10.689 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.544 -9.665 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.005 -9.654 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.777 -12.171 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.402 -12.134 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.888 -11.040 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.252 -11.242 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.847 -13.774 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.111 -13.192 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.011 -14.466 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.464 -12.851 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.208 -13.415 3.562 1.00 0.00 H new ATOM 1295 N MET A 80 6.706 -8.249 7.281 1.00 0.00 N ATOM 1296 CA MET A 80 6.548 -6.840 7.749 1.00 0.00 C ATOM 1297 C MET A 80 7.922 -6.169 7.809 1.00 0.00 C ATOM 1298 O MET A 80 8.930 -6.817 8.005 1.00 0.00 O ATOM 1299 CB MET A 80 5.921 -6.837 9.145 1.00 0.00 C ATOM 1300 CG MET A 80 4.522 -7.453 9.080 1.00 0.00 C ATOM 1301 SD MET A 80 3.710 -7.277 10.687 1.00 0.00 S ATOM 1302 CE MET A 80 4.921 -8.206 11.657 1.00 0.00 C ATOM 0 H MET A 80 7.375 -8.809 7.810 1.00 0.00 H new ATOM 0 HA MET A 80 5.905 -6.295 7.058 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.546 -7.401 9.837 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.863 -5.818 9.527 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.932 -6.961 8.307 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.589 -8.506 8.808 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.433 -8.636 12.532 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.341 -9.005 11.046 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.719 -7.537 11.979 1.00 0.00 H new ATOM 1312 N ALA A 81 7.974 -4.874 7.643 1.00 0.00 N ATOM 1313 CA ALA A 81 9.290 -4.178 7.694 1.00 0.00 C ATOM 1314 C ALA A 81 9.091 -2.657 7.665 1.00 0.00 C ATOM 1315 O ALA A 81 10.009 -1.917 7.371 1.00 0.00 O ATOM 1316 CB ALA A 81 10.134 -4.602 6.492 1.00 0.00 C ATOM 0 H ALA A 81 7.167 -4.273 7.475 1.00 0.00 H new ATOM 0 HA ALA A 81 9.798 -4.450 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.098 -4.094 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.291 -5.680 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.616 -4.334 5.571 1.00 0.00 H new ATOM 1322 N PHE A 82 7.911 -2.182 7.973 1.00 0.00 N ATOM 1323 CA PHE A 82 7.681 -0.706 7.963 1.00 0.00 C ATOM 1324 C PHE A 82 7.602 -0.189 9.405 1.00 0.00 C ATOM 1325 O PHE A 82 7.078 -0.845 10.282 1.00 0.00 O ATOM 1326 CB PHE A 82 6.378 -0.374 7.233 1.00 0.00 C ATOM 1327 CG PHE A 82 6.281 1.119 7.107 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.003 1.785 6.113 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.482 1.837 7.995 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.925 3.177 6.010 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.402 3.227 7.892 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.124 3.899 6.899 1.00 0.00 C ATOM 0 H PHE A 82 7.102 -2.748 8.229 1.00 0.00 H new ATOM 0 HA PHE A 82 8.510 -0.226 7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.364 -0.841 6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.523 -0.766 7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.620 1.225 5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.925 1.319 8.762 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.483 3.694 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.782 3.784 8.579 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.062 4.974 6.820 1.00 0.00 H new ATOM 1342 N GLY A 83 8.133 0.979 9.658 1.00 0.00 N ATOM 1343 CA GLY A 83 8.106 1.538 11.044 1.00 0.00 C ATOM 1344 C GLY A 83 6.665 1.651 11.556 1.00 0.00 C ATOM 1345 O GLY A 83 6.371 1.275 12.674 1.00 0.00 O ATOM 0 H GLY A 83 8.586 1.572 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.685 0.898 11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.579 2.520 11.054 1.00 0.00 H new ATOM 1349 N GLY A 84 5.765 2.163 10.756 1.00 0.00 N ATOM 1350 CA GLY A 84 4.345 2.296 11.209 1.00 0.00 C ATOM 1351 C GLY A 84 3.872 3.746 11.045 1.00 0.00 C ATOM 1352 O GLY A 84 4.546 4.677 11.440 1.00 0.00 O ATOM 0 H GLY A 84 5.950 2.495 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.706 1.629 10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.258 1.993 12.252 1.00 0.00 H new ATOM 1356 N LEU A 85 2.712 3.940 10.473 1.00 0.00 N ATOM 1357 CA LEU A 85 2.181 5.319 10.289 1.00 0.00 C ATOM 1358 C LEU A 85 1.311 5.676 11.496 1.00 0.00 C ATOM 1359 O LEU A 85 0.098 5.636 11.435 1.00 0.00 O ATOM 1360 CB LEU A 85 1.338 5.356 9.014 1.00 0.00 C ATOM 1361 CG LEU A 85 2.143 4.785 7.840 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.219 4.582 6.642 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.256 5.760 7.436 1.00 0.00 C ATOM 0 H LEU A 85 2.108 3.196 10.124 1.00 0.00 H new ATOM 0 HA LEU A 85 2.999 6.035 10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.424 4.779 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.037 6.381 8.796 1.00 0.00 H new ATOM 0 HG LEU A 85 2.582 3.836 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.790 4.176 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.424 3.887 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.783 5.538 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.820 5.343 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.816 6.711 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.924 5.920 8.282 1.00 0.00 H new ATOM 1375 N LYS A 86 1.927 6.021 12.595 1.00 0.00 N ATOM 1376 CA LYS A 86 1.145 6.376 13.814 1.00 0.00 C ATOM 1377 C LYS A 86 0.230 7.563 13.513 1.00 0.00 C ATOM 1378 O LYS A 86 -0.881 7.639 13.997 1.00 0.00 O ATOM 1379 CB LYS A 86 2.106 6.747 14.946 1.00 0.00 C ATOM 1380 CG LYS A 86 1.312 6.979 16.233 1.00 0.00 C ATOM 1381 CD LYS A 86 2.263 7.409 17.351 1.00 0.00 C ATOM 1382 CE LYS A 86 1.496 7.489 18.672 1.00 0.00 C ATOM 1383 NZ LYS A 86 1.633 6.198 19.404 1.00 0.00 N ATOM 0 H LYS A 86 2.940 6.072 12.701 1.00 0.00 H new ATOM 0 HA LYS A 86 0.539 5.521 14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.835 5.950 15.094 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.665 7.645 14.684 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.554 7.745 16.072 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.788 6.067 16.518 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.084 6.698 17.438 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.704 8.378 17.115 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.882 8.307 19.280 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.444 7.702 18.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.112 6.251 20.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.245 5.427 18.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.638 6.013 19.597 1.00 0.00 H new ATOM 1397 N LYS A 87 0.688 8.492 12.722 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.159 9.672 12.400 1.00 0.00 C ATOM 1399 C LYS A 87 -1.098 9.327 11.244 1.00 0.00 C ATOM 1400 O LYS A 87 -0.678 8.841 10.212 1.00 0.00 O ATOM 1401 CB LYS A 87 0.734 10.848 12.000 1.00 0.00 C ATOM 1402 CG LYS A 87 1.594 11.265 13.195 1.00 0.00 C ATOM 1403 CD LYS A 87 2.400 12.515 12.833 1.00 0.00 C ATOM 1404 CE LYS A 87 3.345 12.864 13.984 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.700 12.312 13.699 1.00 0.00 N ATOM 0 H LYS A 87 1.610 8.485 12.286 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.748 9.945 13.276 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.370 10.566 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.122 11.687 11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.961 11.465 14.060 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.267 10.454 13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.970 12.341 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.727 13.350 12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.400 13.945 14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.963 12.455 14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.343 12.549 14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.640 11.278 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.064 12.723 12.816 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.366 9.578 11.408 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.337 9.271 10.324 1.00 0.00 C ATOM 1421 C GLU A 88 -3.040 10.147 9.106 1.00 0.00 C ATOM 1422 O GLU A 88 -3.319 9.781 7.982 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.756 9.546 10.816 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.102 8.580 11.952 1.00 0.00 C ATOM 1425 CD GLU A 88 -4.480 9.076 13.260 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -4.047 10.216 13.295 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -4.447 8.305 14.205 1.00 0.00 O ATOM 0 H GLU A 88 -2.773 9.984 12.250 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.247 8.221 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.838 10.576 11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.465 9.428 9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.184 8.502 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.732 7.582 11.718 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.487 11.310 9.322 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.187 12.214 8.181 1.00 0.00 C ATOM 1436 C LYS A 89 -1.300 11.497 7.162 1.00 0.00 C ATOM 1437 O LYS A 89 -1.533 11.565 5.972 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.461 13.452 8.705 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.397 14.247 9.616 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.711 15.544 10.048 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.596 16.281 11.054 1.00 0.00 C ATOM 1442 NZ LYS A 89 -2.173 17.708 11.139 1.00 0.00 N ATOM 0 H LYS A 89 -2.231 11.671 10.241 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.119 12.505 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.567 13.157 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.133 14.074 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.326 14.472 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.660 13.653 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.741 15.323 10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.526 16.176 9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.641 16.218 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.521 15.810 12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.775 18.208 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.181 17.758 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.267 18.154 10.204 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.289 10.809 7.611 1.00 0.00 N ATOM 1457 CA ASP A 90 0.595 10.093 6.653 1.00 0.00 C ATOM 1458 C ASP A 90 -0.213 9.005 5.951 1.00 0.00 C ATOM 1459 O ASP A 90 -0.204 8.888 4.742 1.00 0.00 O ATOM 1460 CB ASP A 90 1.752 9.446 7.413 1.00 0.00 C ATOM 1461 CG ASP A 90 2.592 10.531 8.089 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.457 11.681 7.707 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.355 10.193 8.979 1.00 0.00 O ATOM 0 H ASP A 90 -0.038 10.712 8.595 1.00 0.00 H new ATOM 0 HA ASP A 90 0.989 10.797 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.367 8.752 8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.371 8.866 6.728 1.00 0.00 H new ATOM 1468 N ARG A 91 -0.913 8.206 6.707 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.726 7.119 6.095 1.00 0.00 C ATOM 1470 C ARG A 91 -2.757 7.709 5.129 1.00 0.00 C ATOM 1471 O ARG A 91 -2.922 7.239 4.021 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.453 6.355 7.201 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.260 5.215 6.584 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.922 4.398 7.694 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.988 5.214 8.342 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.932 4.629 9.027 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -5.943 3.330 9.146 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.866 5.344 9.592 1.00 0.00 N ATOM 0 H ARG A 91 -0.957 8.259 7.725 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.067 6.447 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.734 5.959 7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.113 7.027 7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.018 5.615 5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.609 4.576 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.349 3.483 7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.179 4.098 8.433 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.979 6.230 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.213 2.771 8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.681 2.873 9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.858 6.360 9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.604 4.887 10.128 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.458 8.728 5.542 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.483 9.337 4.649 1.00 0.00 C ATOM 1494 C ASN A 92 -3.810 9.992 3.443 1.00 0.00 C ATOM 1495 O ASN A 92 -4.276 9.885 2.325 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.262 10.397 5.426 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.100 9.726 6.514 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.211 8.516 6.554 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.708 10.468 7.399 1.00 0.00 N ATOM 0 H ASN A 92 -3.366 9.165 6.459 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.159 8.557 4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.573 11.113 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.908 10.957 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.277 10.033 8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.614 11.483 7.365 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.727 10.677 3.663 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.029 11.351 2.533 1.00 0.00 C ATOM 1508 C ASP A 93 -1.577 10.310 1.508 1.00 0.00 C ATOM 1509 O ASP A 93 -1.647 10.529 0.314 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.810 12.107 3.070 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.277 13.241 3.985 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.456 13.550 3.958 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.446 13.779 4.698 1.00 0.00 O ATOM 0 H ASP A 93 -2.292 10.801 4.577 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.711 12.052 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.159 11.426 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.225 12.510 2.243 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.112 9.180 1.961 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.653 8.125 1.014 1.00 0.00 C ATOM 1520 C LEU A 94 -1.771 7.769 0.046 1.00 0.00 C ATOM 1521 O LEU A 94 -1.666 7.961 -1.149 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.282 6.865 1.795 1.00 0.00 C ATOM 1523 CG LEU A 94 1.233 6.725 1.870 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.590 5.818 3.047 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.753 6.107 0.571 1.00 0.00 C ATOM 0 H LEU A 94 -1.030 8.940 2.949 1.00 0.00 H new ATOM 0 HA LEU A 94 0.209 8.503 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.701 6.914 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.713 5.988 1.312 1.00 0.00 H new ATOM 0 HG LEU A 94 1.689 7.705 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.673 5.712 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.215 6.257 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.137 4.837 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.837 6.007 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.304 5.124 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.489 6.750 -0.269 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.835 7.232 0.559 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.960 6.826 -0.305 1.00 0.00 C ATOM 1539 C ILE A 95 -4.419 8.007 -1.154 1.00 0.00 C ATOM 1540 O ILE A 95 -4.801 7.848 -2.297 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.088 6.326 0.583 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.543 5.193 1.454 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.228 5.806 -0.285 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.678 4.585 2.282 1.00 0.00 C ATOM 0 H ILE A 95 -2.972 7.056 1.554 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.650 6.030 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.464 7.134 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.087 4.427 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.762 5.572 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.036 5.448 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.597 6.610 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.867 4.987 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.285 3.778 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.114 5.353 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.444 4.190 1.615 1.00 0.00 H new ATOM 1556 N THR A 96 -4.375 9.191 -0.618 1.00 0.00 N ATOM 1557 CA THR A 96 -4.796 10.367 -1.411 1.00 0.00 C ATOM 1558 C THR A 96 -3.962 10.416 -2.695 1.00 0.00 C ATOM 1559 O THR A 96 -4.461 10.715 -3.762 1.00 0.00 O ATOM 1560 CB THR A 96 -4.562 11.632 -0.590 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.106 11.458 0.711 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.248 12.810 -1.270 1.00 0.00 C ATOM 0 H THR A 96 -4.066 9.392 0.333 1.00 0.00 H new ATOM 0 HA THR A 96 -5.854 10.296 -1.665 1.00 0.00 H new ATOM 0 HB THR A 96 -3.492 11.825 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.444 11.020 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.082 13.715 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.835 12.944 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.318 12.616 -1.342 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.695 10.113 -2.597 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.827 10.130 -3.806 1.00 0.00 C ATOM 1572 C TYR A 97 -1.985 8.823 -4.583 1.00 0.00 C ATOM 1573 O TYR A 97 -2.185 8.822 -5.781 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.369 10.297 -3.381 1.00 0.00 C ATOM 1575 CG TYR A 97 0.521 10.132 -4.587 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.751 11.210 -5.449 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.117 8.893 -4.842 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.578 11.048 -6.567 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.942 8.729 -5.958 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.174 9.806 -6.822 1.00 0.00 C ATOM 1581 OH TYR A 97 2.989 9.644 -7.925 1.00 0.00 O ATOM 0 H TYR A 97 -2.225 9.854 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.121 10.962 -4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.218 11.280 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.112 9.559 -2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.291 12.167 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.940 8.062 -4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.756 11.880 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.401 7.771 -6.154 1.00 0.00 H new ATOM 0 HH TYR A 97 3.322 8.723 -7.953 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.896 7.708 -3.912 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.040 6.404 -4.619 1.00 0.00 C ATOM 1593 C LEU A 98 -3.350 6.406 -5.401 1.00 0.00 C ATOM 1594 O LEU A 98 -3.397 6.059 -6.564 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.081 5.272 -3.594 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.816 5.296 -2.731 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.950 4.271 -1.603 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.390 4.935 -3.591 1.00 0.00 C ATOM 0 H LEU A 98 -1.730 7.643 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.197 6.259 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.963 5.375 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.164 4.312 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.684 6.292 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.050 4.287 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.815 4.518 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.081 3.276 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.292 4.952 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.253 3.938 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.488 5.657 -4.401 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.413 6.810 -4.767 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.727 6.855 -5.461 1.00 0.00 C ATOM 1612 C LYS A 99 -5.630 7.797 -6.663 1.00 0.00 C ATOM 1613 O LYS A 99 -6.187 7.540 -7.712 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.791 7.354 -4.483 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.147 7.462 -5.187 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.174 8.061 -4.224 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.552 8.078 -4.889 1.00 0.00 C ATOM 1618 NZ LYS A 99 -10.927 9.483 -5.217 1.00 0.00 N ATOM 0 H LYS A 99 -4.428 7.112 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.001 5.860 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.866 6.672 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.502 8.326 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.059 8.086 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.476 6.478 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.210 7.476 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.880 9.073 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.538 7.473 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.295 7.638 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.864 9.496 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.956 10.047 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.223 9.887 -5.867 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.924 8.883 -6.519 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.786 9.839 -7.654 1.00 0.00 C ATOM 1634 C LYS A 100 -4.159 9.117 -8.841 1.00 0.00 C ATOM 1635 O LYS A 100 -4.586 9.252 -9.970 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.869 10.988 -7.233 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.869 12.081 -8.306 1.00 0.00 C ATOM 1638 CD LYS A 100 -5.106 12.971 -8.147 1.00 0.00 C ATOM 1639 CE LYS A 100 -4.985 14.182 -9.074 1.00 0.00 C ATOM 1640 NZ LYS A 100 -6.332 14.545 -9.595 1.00 0.00 N ATOM 0 H LYS A 100 -4.436 9.151 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.766 10.227 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.204 11.401 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.855 10.617 -7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.964 12.683 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.861 11.629 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.007 12.406 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.200 13.300 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.553 15.025 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.313 13.955 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.250 15.368 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.728 13.742 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.960 14.779 -8.800 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.146 8.344 -8.582 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.476 7.593 -9.679 1.00 0.00 C ATOM 1656 C ALA A 101 -3.426 6.509 -10.177 1.00 0.00 C ATOM 1657 O ALA A 101 -3.667 6.373 -11.360 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.191 6.948 -9.152 1.00 0.00 C ATOM 0 H ALA A 101 -2.750 8.198 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.223 8.271 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.703 6.399 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.520 7.723 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.434 6.262 -8.341 1.00 0.00 H new ATOM 1664 N THR A 102 -3.983 5.752 -9.276 1.00 0.00 N ATOM 1665 CA THR A 102 -4.940 4.693 -9.685 1.00 0.00 C ATOM 1666 C THR A 102 -6.132 5.362 -10.362 1.00 0.00 C ATOM 1667 O THR A 102 -6.756 4.807 -11.242 1.00 0.00 O ATOM 1668 CB THR A 102 -5.413 3.922 -8.449 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.285 3.442 -7.732 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.284 2.741 -8.882 1.00 0.00 C ATOM 0 H THR A 102 -3.816 5.822 -8.272 1.00 0.00 H new ATOM 0 HA THR A 102 -4.461 3.996 -10.372 1.00 0.00 H new ATOM 0 HB THR A 102 -5.996 4.585 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.906 4.168 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.619 2.194 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.150 3.110 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.704 2.077 -9.523 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.450 6.561 -9.950 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.603 7.278 -10.563 1.00 0.00 C ATOM 1680 C GLU A 103 -7.193 7.828 -11.930 1.00 0.00 C ATOM 1681 O GLU A 103 -7.937 7.757 -12.887 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.027 8.434 -9.653 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.298 9.080 -10.208 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.663 10.298 -9.358 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.927 10.591 -8.430 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.672 10.919 -9.650 1.00 0.00 O ATOM 0 H GLU A 103 -5.961 7.073 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.437 6.587 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.204 8.069 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.228 9.173 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.144 9.379 -11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.117 8.361 -10.202 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.861 -2.570 1.712 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.917 -5.299 1.218 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.176 -0.564 1.257 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.805 0.162 2.215 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.572 -4.561 2.055 1.00 0.00 C HETATM 1699 NA HEC A 104 2.957 -2.867 1.331 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.298 -4.071 1.152 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.874 -3.868 0.915 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.685 -2.526 0.895 1.00 0.00 C HETATM 1703 C4A HEC A 104 1.965 -1.920 1.184 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.581 -1.818 0.539 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.213 -4.908 0.923 1.00 0.00 C HETATM 1706 CBA HEC A 104 -1.220 -4.716 -0.218 1.00 0.00 C HETATM 1707 CGA HEC A 104 -1.325 -6.001 -1.043 1.00 0.00 C HETATM 1708 O1A HEC A 104 -1.057 -5.942 -2.231 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.679 -7.022 -0.475 1.00 0.00 O HETATM 1710 NB HEC A 104 4.558 -0.630 1.727 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.379 0.042 1.502 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.546 1.468 1.615 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.855 1.690 1.854 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.472 0.380 1.964 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.458 2.478 1.694 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.528 3.030 1.866 1.00 0.00 C HETATM 1717 CBB HEC A 104 5.032 3.921 3.006 1.00 0.00 C HETATM 1718 NC HEC A 104 6.758 -2.268 2.079 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.406 -1.064 2.260 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.809 -1.246 2.496 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.051 -2.565 2.382 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.766 -3.203 2.177 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.762 -0.215 2.987 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.393 -3.181 2.234 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.160 -3.279 3.555 1.00 0.00 C HETATM 1726 ND HEC A 104 5.172 -4.501 1.672 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.367 -5.171 1.817 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.192 -6.599 1.721 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.882 -6.805 1.448 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.254 -5.505 1.459 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.197 -7.630 2.103 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.234 -8.100 1.074 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.598 -8.788 2.279 1.00 0.00 C HETATM 1734 CGD HEC A 104 2.526 -9.770 1.807 1.00 0.00 C HETATM 1735 O1D HEC A 104 2.848 -10.625 0.998 1.00 0.00 O HETATM 1736 O2D HEC A 104 1.401 -9.652 2.263 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.100 -7.496 1.508 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.441 -7.526 3.160 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.787 -8.623 1.921 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.786 0.621 2.288 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.441 0.140 3.966 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.758 -0.649 3.067 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.842 2.421 0.796 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.841 2.280 2.570 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.892 3.475 1.773 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.867 -2.075 -0.481 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.372 -2.121 1.225 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.429 -0.741 0.613 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.360 -9.315 2.853 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.157 -8.045 2.943 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.300 -2.281 3.969 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.594 -3.888 4.260 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.133 -3.738 3.378 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.959 4.084 2.900 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.232 3.435 3.961 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.550 4.879 2.971 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.197 -4.454 0.188 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.907 -3.889 -0.855 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.472 -7.919 0.316 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.976 -8.762 0.628 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.236 -5.898 0.844 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.739 -4.872 1.877 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.447 -5.203 2.156 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.432 1.036 2.392 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.312 0.084 1.107 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.295 -6.181 1.066 1.00 0.00 H new