USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 908 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 74 THR OG1 : rot 84:sc= 0.0995 USER MOD Set 1.2: A 78 SER OG : rot -180:sc= 0.117 USER MOD Set 2.1: A 54 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.21) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 133:sc= 0.00491 (180deg=0) USER MOD Set 3.1: A 44 GLN : amide:sc= -5.07! C(o=-4.6!,f=-12!) USER MOD Set 3.2: A 48 THR OG1 : rot -54:sc= 0.493 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 28:sc= -4.69! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.907 K(o=-0.91,f=-0.21) USER MOD Single : A 21 ASN : amide:sc= -5.85! C(o=-5.8!,f=-12!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 86:sc= -0.154! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.96 K(o=-2,f=-0.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 19:sc= 0.273 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.159 (180deg=-0.578) USER MOD Single : A 55 MET CE :methyl -103:sc= -0.303 (180deg=-2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 0.0574 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 85:sc= -3.2! USER MOD Single : A 66 TYR OH : rot -15:sc= -1.73 USER MOD Single : A 67 HIS : no HE2:sc= -17.3! C(o=-17!,f=-30!) USER MOD Single : A 69 MET CE :methyl 163:sc= -4.76! (180deg=-5.72!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= -0.0747 (180deg=-1.13) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 0.695! (180deg=0.0982!) USER MOD Single : A 86 THR OG1 : rot 94:sc= 0.459 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 27:sc= 0.459 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -172:sc= 0.362 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 5:sc= 0.97 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.139 14.622 2.100 1.00 0.00 N ATOM 2 CA ALA A 1 20.130 13.320 2.825 1.00 0.00 C ATOM 3 C ALA A 1 18.951 13.264 3.799 1.00 0.00 C ATOM 4 O ALA A 1 19.022 13.791 4.892 1.00 0.00 O ATOM 5 CB ALA A 1 21.456 13.279 3.586 1.00 0.00 C ATOM 0 H1 ALA A 1 20.944 14.647 1.442 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.252 14.729 1.567 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.227 15.400 2.785 1.00 0.00 H new ATOM 0 HA ALA A 1 20.023 12.473 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.525 12.347 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 1 22.283 13.339 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.506 14.122 4.275 1.00 0.00 H new ATOM 13 N PRO A 2 17.899 12.624 3.365 1.00 0.00 N ATOM 14 CA PRO A 2 16.685 12.493 4.206 1.00 0.00 C ATOM 15 C PRO A 2 16.922 11.502 5.344 1.00 0.00 C ATOM 16 O PRO A 2 17.672 10.555 5.210 1.00 0.00 O ATOM 17 CB PRO A 2 15.635 11.949 3.244 1.00 0.00 C ATOM 18 CG PRO A 2 16.415 11.260 2.169 1.00 0.00 C ATOM 19 CD PRO A 2 17.743 11.967 2.063 1.00 0.00 C ATOM 0 HA PRO A 2 16.392 13.434 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.960 11.257 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.022 12.751 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.557 10.207 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.881 11.299 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.555 11.265 1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.746 12.690 1.248 1.00 0.00 H new ATOM 27 N LYS A 3 16.278 11.702 6.457 1.00 0.00 N ATOM 28 CA LYS A 3 16.457 10.760 7.592 1.00 0.00 C ATOM 29 C LYS A 3 15.205 9.910 7.762 1.00 0.00 C ATOM 30 O LYS A 3 14.312 10.239 8.518 1.00 0.00 O ATOM 31 CB LYS A 3 16.661 11.625 8.821 1.00 0.00 C ATOM 32 CG LYS A 3 17.831 12.582 8.593 1.00 0.00 C ATOM 33 CD LYS A 3 17.845 13.644 9.694 1.00 0.00 C ATOM 34 CE LYS A 3 19.047 13.413 10.614 1.00 0.00 C ATOM 35 NZ LYS A 3 19.096 14.617 11.490 1.00 0.00 N ATOM 0 H LYS A 3 15.636 12.476 6.630 1.00 0.00 H new ATOM 0 HA LYS A 3 17.299 10.087 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.753 12.190 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.857 10.997 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.771 12.030 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.741 13.057 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.898 14.639 9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.920 13.599 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.926 12.502 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.968 13.303 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.895 14.534 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.218 15.468 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.209 14.691 12.028 1.00 0.00 H new ATOM 49 N ALA A 4 15.138 8.824 7.062 1.00 0.00 N ATOM 50 CA ALA A 4 13.946 7.936 7.171 1.00 0.00 C ATOM 51 C ALA A 4 13.490 7.861 8.629 1.00 0.00 C ATOM 52 O ALA A 4 14.302 7.813 9.532 1.00 0.00 O ATOM 53 CB ALA A 4 14.423 6.566 6.684 1.00 0.00 C ATOM 0 H ALA A 4 15.858 8.505 6.413 1.00 0.00 H new ATOM 0 HA ALA A 4 13.100 8.298 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.599 5.855 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.770 6.647 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.240 6.219 7.316 1.00 0.00 H new ATOM 59 N PRO A 5 12.200 7.866 8.810 1.00 0.00 N ATOM 60 CA PRO A 5 11.628 7.810 10.169 1.00 0.00 C ATOM 61 C PRO A 5 11.670 6.387 10.724 1.00 0.00 C ATOM 62 O PRO A 5 11.804 5.425 9.996 1.00 0.00 O ATOM 63 CB PRO A 5 10.198 8.300 9.980 1.00 0.00 C ATOM 64 CG PRO A 5 9.865 8.048 8.539 1.00 0.00 C ATOM 65 CD PRO A 5 11.165 7.918 7.775 1.00 0.00 C ATOM 0 HA PRO A 5 12.181 8.414 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.512 7.767 10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.113 9.360 10.221 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.271 7.140 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.267 8.866 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.175 7.018 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.317 8.764 7.105 1.00 0.00 H new ATOM 73 N ALA A 6 11.565 6.257 12.015 1.00 0.00 N ATOM 74 CA ALA A 6 11.608 4.913 12.642 1.00 0.00 C ATOM 75 C ALA A 6 10.498 4.030 12.082 1.00 0.00 C ATOM 76 O ALA A 6 9.429 4.492 11.737 1.00 0.00 O ATOM 77 CB ALA A 6 11.392 5.163 14.134 1.00 0.00 C ATOM 0 H ALA A 6 11.450 7.033 12.667 1.00 0.00 H new ATOM 0 HA ALA A 6 12.549 4.399 12.447 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.411 4.213 14.668 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.184 5.808 14.513 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.427 5.646 14.286 1.00 0.00 H new ATOM 83 N ASP A 7 10.748 2.760 12.001 1.00 0.00 N ATOM 84 CA ASP A 7 9.722 1.826 11.478 1.00 0.00 C ATOM 85 C ASP A 7 8.483 1.884 12.366 1.00 0.00 C ATOM 86 O ASP A 7 8.528 2.341 13.491 1.00 0.00 O ATOM 87 CB ASP A 7 10.365 0.442 11.550 1.00 0.00 C ATOM 88 CG ASP A 7 11.800 0.513 11.022 1.00 0.00 C ATOM 89 OD1 ASP A 7 11.992 1.089 9.963 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.681 -0.007 11.685 1.00 0.00 O ATOM 0 H ASP A 7 11.628 2.324 12.277 1.00 0.00 H new ATOM 0 HA ASP A 7 9.411 2.072 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.363 0.082 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.786 -0.270 10.962 1.00 0.00 H new ATOM 95 N GLY A 8 7.381 1.422 11.869 1.00 0.00 N ATOM 96 CA GLY A 8 6.131 1.440 12.674 1.00 0.00 C ATOM 97 C GLY A 8 5.283 2.649 12.286 1.00 0.00 C ATOM 98 O GLY A 8 4.390 3.047 13.007 1.00 0.00 O ATOM 0 H GLY A 8 7.287 1.029 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.568 0.521 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.372 1.479 13.736 1.00 0.00 H new ATOM 102 N LEU A 9 5.542 3.236 11.150 1.00 0.00 N ATOM 103 CA LEU A 9 4.729 4.411 10.731 1.00 0.00 C ATOM 104 C LEU A 9 3.282 3.981 10.548 1.00 0.00 C ATOM 105 O LEU A 9 2.976 3.126 9.743 1.00 0.00 O ATOM 106 CB LEU A 9 5.314 4.878 9.403 1.00 0.00 C ATOM 107 CG LEU A 9 5.539 6.387 9.468 1.00 0.00 C ATOM 108 CD1 LEU A 9 6.822 6.737 8.715 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.358 7.120 8.825 1.00 0.00 C ATOM 0 H LEU A 9 6.275 2.955 10.499 1.00 0.00 H new ATOM 0 HA LEU A 9 4.752 5.210 11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.254 4.364 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.637 4.632 8.585 1.00 0.00 H new ATOM 0 HG LEU A 9 5.625 6.693 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.987 7.814 8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.666 6.222 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.730 6.426 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.526 8.196 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.265 6.816 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.441 6.871 9.359 1.00 0.00 H new ATOM 121 N LYS A 10 2.392 4.558 11.293 1.00 0.00 N ATOM 122 CA LYS A 10 0.966 4.163 11.160 1.00 0.00 C ATOM 123 C LYS A 10 0.209 5.160 10.290 1.00 0.00 C ATOM 124 O LYS A 10 -0.071 6.271 10.693 1.00 0.00 O ATOM 125 CB LYS A 10 0.406 4.170 12.577 1.00 0.00 C ATOM 126 CG LYS A 10 0.534 2.770 13.181 1.00 0.00 C ATOM 127 CD LYS A 10 -0.294 2.692 14.465 1.00 0.00 C ATOM 128 CE LYS A 10 0.185 1.508 15.309 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.647 1.554 16.543 1.00 0.00 N ATOM 0 H LYS A 10 2.585 5.282 11.985 1.00 0.00 H new ATOM 0 HA LYS A 10 0.865 3.187 10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.945 4.893 13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.639 4.479 12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.190 2.021 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.580 2.549 13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.196 3.619 15.030 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.350 2.576 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.052 0.565 14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.246 1.594 15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.377 0.772 17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.495 2.460 17.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.651 1.463 16.288 1.00 0.00 H new ATOM 143 N MET A 11 -0.141 4.758 9.107 1.00 0.00 N ATOM 144 CA MET A 11 -0.905 5.663 8.210 1.00 0.00 C ATOM 145 C MET A 11 -2.387 5.523 8.528 1.00 0.00 C ATOM 146 O MET A 11 -3.002 4.523 8.226 1.00 0.00 O ATOM 147 CB MET A 11 -0.600 5.179 6.794 1.00 0.00 C ATOM 148 CG MET A 11 0.248 6.228 6.075 1.00 0.00 C ATOM 149 SD MET A 11 -0.657 7.793 6.000 1.00 0.00 S ATOM 150 CE MET A 11 0.684 8.858 6.582 1.00 0.00 C ATOM 0 H MET A 11 0.069 3.838 8.719 1.00 0.00 H new ATOM 0 HA MET A 11 -0.637 6.713 8.328 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.070 4.227 6.829 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.528 5.008 6.248 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.193 6.368 6.599 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.489 5.887 5.068 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.340 9.892 6.614 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.989 8.546 7.581 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.532 8.779 5.902 1.00 0.00 H new ATOM 160 N ASP A 12 -2.959 6.503 9.161 1.00 0.00 N ATOM 161 CA ASP A 12 -4.404 6.406 9.525 1.00 0.00 C ATOM 162 C ASP A 12 -5.248 7.335 8.660 1.00 0.00 C ATOM 163 O ASP A 12 -6.360 7.684 9.004 1.00 0.00 O ATOM 164 CB ASP A 12 -4.471 6.830 10.987 1.00 0.00 C ATOM 165 CG ASP A 12 -3.602 8.070 11.208 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.394 7.917 11.287 1.00 0.00 O ATOM 167 OD2 ASP A 12 -4.159 9.152 11.293 1.00 0.00 O ATOM 0 H ASP A 12 -2.495 7.366 9.443 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.795 5.400 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.503 7.043 11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.129 6.017 11.627 1.00 0.00 H new ATOM 172 N LYS A 13 -4.734 7.729 7.539 1.00 0.00 N ATOM 173 CA LYS A 13 -5.507 8.627 6.644 1.00 0.00 C ATOM 174 C LYS A 13 -6.914 8.063 6.429 1.00 0.00 C ATOM 175 O LYS A 13 -7.861 8.789 6.196 1.00 0.00 O ATOM 176 CB LYS A 13 -4.722 8.621 5.340 1.00 0.00 C ATOM 177 CG LYS A 13 -3.506 9.537 5.483 1.00 0.00 C ATOM 178 CD LYS A 13 -3.974 10.954 5.820 1.00 0.00 C ATOM 179 CE LYS A 13 -3.098 11.969 5.083 1.00 0.00 C ATOM 180 NZ LYS A 13 -3.538 13.297 5.593 1.00 0.00 N ATOM 0 H LYS A 13 -3.808 7.469 7.199 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.628 9.632 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.403 7.607 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.354 8.960 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.846 9.164 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.930 9.543 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.018 11.082 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.917 11.121 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.041 11.799 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.232 11.896 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.982 14.047 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.547 13.434 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.392 13.339 6.622 1.00 0.00 H new ATOM 194 N THR A 14 -7.050 6.770 6.506 1.00 0.00 N ATOM 195 CA THR A 14 -8.392 6.138 6.310 1.00 0.00 C ATOM 196 C THR A 14 -8.839 5.424 7.588 1.00 0.00 C ATOM 197 O THR A 14 -8.218 5.537 8.627 1.00 0.00 O ATOM 198 CB THR A 14 -8.201 5.124 5.182 1.00 0.00 C ATOM 199 OG1 THR A 14 -7.063 4.322 5.456 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.005 5.856 3.854 1.00 0.00 C ATOM 0 H THR A 14 -6.289 6.118 6.697 1.00 0.00 H new ATOM 0 HA THR A 14 -9.156 6.878 6.071 1.00 0.00 H new ATOM 0 HB THR A 14 -9.085 4.491 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.925 4.270 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.869 5.128 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.882 6.468 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.124 6.494 3.917 1.00 0.00 H new ATOM 208 N LYS A 15 -9.911 4.681 7.515 1.00 0.00 N ATOM 209 CA LYS A 15 -10.398 3.946 8.716 1.00 0.00 C ATOM 210 C LYS A 15 -9.488 2.750 8.989 1.00 0.00 C ATOM 211 O LYS A 15 -9.360 2.290 10.106 1.00 0.00 O ATOM 212 CB LYS A 15 -11.805 3.475 8.347 1.00 0.00 C ATOM 213 CG LYS A 15 -12.824 4.543 8.748 1.00 0.00 C ATOM 214 CD LYS A 15 -13.118 5.444 7.546 1.00 0.00 C ATOM 215 CE LYS A 15 -14.488 6.102 7.722 1.00 0.00 C ATOM 216 NZ LYS A 15 -14.303 7.502 7.247 1.00 0.00 N ATOM 0 H LYS A 15 -10.471 4.552 6.672 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.400 4.564 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.866 3.283 7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.029 2.536 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.743 4.072 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.437 5.137 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.346 6.208 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.100 4.859 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.252 5.585 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.808 6.077 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.200 8.020 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.574 7.970 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.005 7.494 6.251 1.00 0.00 H new ATOM 230 N GLN A 16 -8.854 2.248 7.966 1.00 0.00 N ATOM 231 CA GLN A 16 -7.941 1.086 8.143 1.00 0.00 C ATOM 232 C GLN A 16 -6.487 1.564 8.137 1.00 0.00 C ATOM 233 O GLN A 16 -5.833 1.550 7.113 1.00 0.00 O ATOM 234 CB GLN A 16 -8.214 0.183 6.940 1.00 0.00 C ATOM 235 CG GLN A 16 -9.475 -0.644 7.198 1.00 0.00 C ATOM 236 CD GLN A 16 -9.260 -2.073 6.698 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.123 -2.645 6.063 1.00 0.00 O ATOM 238 NE2 GLN A 16 -8.135 -2.680 6.961 1.00 0.00 N ATOM 0 H GLN A 16 -8.930 2.595 7.010 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.105 0.565 9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.339 0.786 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.363 -0.476 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.706 -0.651 8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.328 -0.194 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.409 -2.201 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.981 -3.634 6.633 1.00 0.00 H new ATOM 247 N PRO A 17 -6.033 1.981 9.286 1.00 0.00 N ATOM 248 CA PRO A 17 -4.641 2.482 9.427 1.00 0.00 C ATOM 249 C PRO A 17 -3.629 1.353 9.219 1.00 0.00 C ATOM 250 O PRO A 17 -3.845 0.227 9.623 1.00 0.00 O ATOM 251 CB PRO A 17 -4.596 3.011 10.860 1.00 0.00 C ATOM 252 CG PRO A 17 -5.677 2.265 11.572 1.00 0.00 C ATOM 253 CD PRO A 17 -6.761 2.020 10.558 1.00 0.00 C ATOM 0 HA PRO A 17 -4.384 3.242 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.623 2.832 11.318 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.770 4.087 10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.300 1.324 11.973 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.057 2.842 12.415 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.286 1.084 10.749 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.509 2.813 10.569 1.00 0.00 H new ATOM 261 N VAL A 18 -2.527 1.646 8.582 1.00 0.00 N ATOM 262 CA VAL A 18 -1.502 0.600 8.333 1.00 0.00 C ATOM 263 C VAL A 18 -0.146 1.032 8.903 1.00 0.00 C ATOM 264 O VAL A 18 0.212 2.192 8.871 1.00 0.00 O ATOM 265 CB VAL A 18 -1.432 0.501 6.812 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.164 -0.247 6.413 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.658 -0.252 6.293 1.00 0.00 C ATOM 0 H VAL A 18 -2.294 2.572 8.223 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.750 -0.351 8.805 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.414 1.502 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.111 -0.320 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.708 0.292 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.182 -1.248 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.608 -0.323 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.678 -1.254 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.563 0.284 6.581 1.00 0.00 H new ATOM 277 N VAL A 19 0.612 0.103 9.422 1.00 0.00 N ATOM 278 CA VAL A 19 1.945 0.453 9.990 1.00 0.00 C ATOM 279 C VAL A 19 3.049 0.184 8.960 1.00 0.00 C ATOM 280 O VAL A 19 3.359 -0.951 8.661 1.00 0.00 O ATOM 281 CB VAL A 19 2.118 -0.478 11.191 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.569 -0.424 11.678 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.185 -0.038 12.321 1.00 0.00 C ATOM 0 H VAL A 19 0.364 -0.885 9.477 1.00 0.00 H new ATOM 0 HA VAL A 19 2.008 1.506 10.266 1.00 0.00 H new ATOM 0 HB VAL A 19 1.872 -1.498 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.690 -1.088 12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.234 -0.741 10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.816 0.596 11.972 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.310 -0.703 13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.428 0.983 12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.152 -0.080 11.977 1.00 0.00 H new ATOM 293 N PHE A 20 3.653 1.209 8.418 1.00 0.00 N ATOM 294 CA PHE A 20 4.739 0.972 7.422 1.00 0.00 C ATOM 295 C PHE A 20 6.094 0.923 8.127 1.00 0.00 C ATOM 296 O PHE A 20 6.513 1.877 8.753 1.00 0.00 O ATOM 297 CB PHE A 20 4.700 2.151 6.448 1.00 0.00 C ATOM 298 CG PHE A 20 5.806 1.968 5.434 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.783 0.872 4.564 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.862 2.884 5.374 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.815 0.694 3.635 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.892 2.707 4.444 1.00 0.00 C ATOM 303 CZ PHE A 20 7.870 1.612 3.575 1.00 0.00 C ATOM 0 H PHE A 20 3.445 2.187 8.618 1.00 0.00 H new ATOM 0 HA PHE A 20 4.598 0.024 6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.732 2.199 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.829 3.091 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.969 0.164 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.882 3.729 6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.797 -0.152 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.705 3.417 4.397 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.666 1.475 2.858 1.00 0.00 H new ATOM 313 N ASN A 21 6.781 -0.179 8.034 1.00 0.00 N ATOM 314 CA ASN A 21 8.101 -0.291 8.694 1.00 0.00 C ATOM 315 C ASN A 21 9.218 -0.048 7.676 1.00 0.00 C ATOM 316 O ASN A 21 9.587 -0.931 6.927 1.00 0.00 O ATOM 317 CB ASN A 21 8.134 -1.726 9.198 1.00 0.00 C ATOM 318 CG ASN A 21 8.070 -1.743 10.726 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.447 -0.891 11.327 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.685 -2.686 11.383 1.00 0.00 N ATOM 0 H ASN A 21 6.480 -1.010 7.525 1.00 0.00 H new ATOM 0 HA ASN A 21 8.245 0.436 9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.295 -2.285 8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.045 -2.219 8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.643 -2.708 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.208 -3.401 10.878 1.00 0.00 H new ATOM 327 N HIS A 22 9.759 1.138 7.638 1.00 0.00 N ATOM 328 CA HIS A 22 10.849 1.419 6.662 1.00 0.00 C ATOM 329 C HIS A 22 11.912 0.321 6.746 1.00 0.00 C ATOM 330 O HIS A 22 12.519 -0.044 5.761 1.00 0.00 O ATOM 331 CB HIS A 22 11.437 2.762 7.090 1.00 0.00 C ATOM 332 CG HIS A 22 10.674 3.887 6.443 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.823 4.708 7.166 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.647 4.365 5.153 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.332 5.631 6.321 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.804 5.468 5.083 1.00 0.00 N ATOM 0 H HIS A 22 9.496 1.921 8.237 1.00 0.00 H new ATOM 0 HA HIS A 22 10.488 1.447 5.634 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.393 2.858 8.175 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.488 2.815 6.807 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.608 4.627 8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.196 3.947 4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.640 6.409 6.608 1.00 0.00 H new ATOM 344 N SER A 23 12.136 -0.211 7.918 1.00 0.00 N ATOM 345 CA SER A 23 13.154 -1.290 8.060 1.00 0.00 C ATOM 346 C SER A 23 12.912 -2.368 7.003 1.00 0.00 C ATOM 347 O SER A 23 13.832 -2.872 6.391 1.00 0.00 O ATOM 348 CB SER A 23 12.944 -1.853 9.465 1.00 0.00 C ATOM 349 OG SER A 23 13.320 -3.225 9.482 1.00 0.00 O ATOM 0 H SER A 23 11.659 0.054 8.780 1.00 0.00 H new ATOM 0 HA SER A 23 14.172 -0.927 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.538 -1.292 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.900 -1.746 9.760 1.00 0.00 H new ATOM 0 HG SER A 23 13.188 -3.589 10.382 1.00 0.00 H new ATOM 355 N THR A 24 11.675 -2.719 6.779 1.00 0.00 N ATOM 356 CA THR A 24 11.368 -3.755 5.754 1.00 0.00 C ATOM 357 C THR A 24 11.492 -3.150 4.356 1.00 0.00 C ATOM 358 O THR A 24 11.400 -3.837 3.358 1.00 0.00 O ATOM 359 CB THR A 24 9.923 -4.179 6.031 1.00 0.00 C ATOM 360 OG1 THR A 24 9.411 -3.428 7.124 1.00 0.00 O ATOM 361 CG2 THR A 24 9.884 -5.669 6.372 1.00 0.00 C ATOM 0 H THR A 24 10.864 -2.333 7.262 1.00 0.00 H new ATOM 0 HA THR A 24 12.051 -4.603 5.801 1.00 0.00 H new ATOM 0 HB THR A 24 9.314 -3.994 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.046 -2.580 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.855 -5.970 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.276 -6.245 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.493 -5.856 7.257 1.00 0.00 H new ATOM 369 N HIS A 25 11.689 -1.864 4.280 1.00 0.00 N ATOM 370 CA HIS A 25 11.808 -1.203 2.959 1.00 0.00 C ATOM 371 C HIS A 25 13.158 -0.493 2.834 1.00 0.00 C ATOM 372 O HIS A 25 13.499 0.029 1.791 1.00 0.00 O ATOM 373 CB HIS A 25 10.656 -0.210 2.953 1.00 0.00 C ATOM 374 CG HIS A 25 9.383 -0.968 3.186 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.905 -1.229 4.461 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.496 -1.560 2.324 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.779 -1.951 4.331 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.487 -2.183 3.049 1.00 0.00 N ATOM 0 H HIS A 25 11.773 -1.242 5.084 1.00 0.00 H new ATOM 0 HA HIS A 25 11.762 -1.900 2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.798 0.542 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.615 0.319 2.001 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.330 -0.928 5.338 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.570 -1.545 1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.184 -2.301 5.161 1.00 0.00 H new ATOM 386 N LYS A 26 13.935 -0.481 3.884 1.00 0.00 N ATOM 387 CA LYS A 26 15.266 0.184 3.808 1.00 0.00 C ATOM 388 C LYS A 26 16.065 -0.419 2.653 1.00 0.00 C ATOM 389 O LYS A 26 16.946 0.207 2.096 1.00 0.00 O ATOM 390 CB LYS A 26 15.940 -0.112 5.147 1.00 0.00 C ATOM 391 CG LYS A 26 16.258 -1.606 5.242 1.00 0.00 C ATOM 392 CD LYS A 26 16.882 -1.909 6.606 1.00 0.00 C ATOM 393 CE LYS A 26 18.406 -1.837 6.499 1.00 0.00 C ATOM 394 NZ LYS A 26 18.911 -2.630 7.655 1.00 0.00 N ATOM 0 H LYS A 26 13.707 -0.900 4.785 1.00 0.00 H new ATOM 0 HA LYS A 26 15.193 1.257 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.856 0.472 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.287 0.184 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.348 -2.192 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.943 -1.894 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.525 -1.194 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.577 -2.899 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.755 -2.251 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.757 -0.806 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.951 -2.627 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.568 -2.208 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.567 -3.609 7.581 1.00 0.00 H new ATOM 408 N ALA A 27 15.749 -1.629 2.281 1.00 0.00 N ATOM 409 CA ALA A 27 16.472 -2.281 1.153 1.00 0.00 C ATOM 410 C ALA A 27 15.725 -2.012 -0.155 1.00 0.00 C ATOM 411 O ALA A 27 16.167 -2.382 -1.225 1.00 0.00 O ATOM 412 CB ALA A 27 16.463 -3.773 1.482 1.00 0.00 C ATOM 0 H ALA A 27 15.019 -2.196 2.711 1.00 0.00 H new ATOM 0 HA ALA A 27 17.488 -1.904 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.979 -4.322 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.970 -3.939 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.433 -4.123 1.554 1.00 0.00 H new ATOM 418 N VAL A 28 14.596 -1.359 -0.074 1.00 0.00 N ATOM 419 CA VAL A 28 13.819 -1.050 -1.304 1.00 0.00 C ATOM 420 C VAL A 28 14.378 0.210 -1.948 1.00 0.00 C ATOM 421 O VAL A 28 15.279 0.835 -1.425 1.00 0.00 O ATOM 422 CB VAL A 28 12.385 -0.821 -0.821 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.540 -0.231 -1.949 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.778 -2.152 -0.377 1.00 0.00 C ATOM 0 H VAL A 28 14.179 -1.026 0.796 1.00 0.00 H new ATOM 0 HA VAL A 28 13.868 -1.846 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 28 12.399 -0.125 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.521 -0.072 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.968 0.721 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.527 -0.921 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.757 -1.989 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.772 -2.847 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.372 -2.570 0.436 1.00 0.00 H new ATOM 434 N LYS A 29 13.858 0.599 -3.072 1.00 0.00 N ATOM 435 CA LYS A 29 14.381 1.826 -3.719 1.00 0.00 C ATOM 436 C LYS A 29 13.632 3.043 -3.202 1.00 0.00 C ATOM 437 O LYS A 29 12.498 3.294 -3.556 1.00 0.00 O ATOM 438 CB LYS A 29 14.136 1.654 -5.207 1.00 0.00 C ATOM 439 CG LYS A 29 15.478 1.547 -5.926 1.00 0.00 C ATOM 440 CD LYS A 29 15.804 0.075 -6.185 1.00 0.00 C ATOM 441 CE LYS A 29 17.244 -0.214 -5.757 1.00 0.00 C ATOM 442 NZ LYS A 29 17.538 -1.574 -6.287 1.00 0.00 N ATOM 0 H LYS A 29 13.101 0.127 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 29 15.440 1.973 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.540 0.760 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.568 2.500 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.442 2.093 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.263 2.003 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.115 -0.563 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.675 -0.156 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.933 0.526 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.347 -0.182 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.510 -1.843 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.871 -2.258 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.439 -1.572 -7.322 1.00 0.00 H new ATOM 456 N CYS A 30 14.269 3.802 -2.374 1.00 0.00 N ATOM 457 CA CYS A 30 13.611 5.024 -1.829 1.00 0.00 C ATOM 458 C CYS A 30 12.926 5.781 -2.968 1.00 0.00 C ATOM 459 O CYS A 30 12.000 6.538 -2.760 1.00 0.00 O ATOM 460 CB CYS A 30 14.742 5.864 -1.233 1.00 0.00 C ATOM 461 SG CYS A 30 15.073 5.325 0.464 1.00 0.00 S ATOM 0 H CYS A 30 15.220 3.636 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 30 12.852 4.791 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.642 5.762 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.469 6.919 -1.243 1.00 0.00 H new ATOM 466 N GLY A 31 13.381 5.575 -4.175 1.00 0.00 N ATOM 467 CA GLY A 31 12.767 6.275 -5.338 1.00 0.00 C ATOM 468 C GLY A 31 11.628 5.426 -5.908 1.00 0.00 C ATOM 469 O GLY A 31 10.830 5.896 -6.692 1.00 0.00 O ATOM 0 H GLY A 31 14.154 4.950 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.388 7.249 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.520 6.454 -6.106 1.00 0.00 H new ATOM 473 N ASP A 32 11.528 4.186 -5.517 1.00 0.00 N ATOM 474 CA ASP A 32 10.419 3.344 -6.041 1.00 0.00 C ATOM 475 C ASP A 32 9.146 3.691 -5.272 1.00 0.00 C ATOM 476 O ASP A 32 8.048 3.611 -5.786 1.00 0.00 O ATOM 477 CB ASP A 32 10.853 1.902 -5.788 1.00 0.00 C ATOM 478 CG ASP A 32 10.705 1.097 -7.080 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.787 1.382 -7.830 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.515 0.212 -7.297 1.00 0.00 O ATOM 0 H ASP A 32 12.160 3.723 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 32 10.216 3.501 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.888 1.876 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.245 1.460 -4.999 1.00 0.00 H new ATOM 485 N CYS A 33 9.300 4.119 -4.049 1.00 0.00 N ATOM 486 CA CYS A 33 8.122 4.527 -3.238 1.00 0.00 C ATOM 487 C CYS A 33 7.977 6.045 -3.350 1.00 0.00 C ATOM 488 O CYS A 33 6.987 6.554 -3.837 1.00 0.00 O ATOM 489 CB CYS A 33 8.461 4.116 -1.806 1.00 0.00 C ATOM 490 SG CYS A 33 8.246 2.329 -1.621 1.00 0.00 S ATOM 0 H CYS A 33 10.199 4.204 -3.575 1.00 0.00 H new ATOM 0 HA CYS A 33 7.187 4.070 -3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.488 4.395 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.817 4.645 -1.103 1.00 0.00 H new ATOM 495 N HIS A 34 8.987 6.769 -2.941 1.00 0.00 N ATOM 496 CA HIS A 34 8.943 8.252 -3.064 1.00 0.00 C ATOM 497 C HIS A 34 9.454 8.632 -4.455 1.00 0.00 C ATOM 498 O HIS A 34 10.277 9.513 -4.600 1.00 0.00 O ATOM 499 CB HIS A 34 9.907 8.789 -2.002 1.00 0.00 C ATOM 500 CG HIS A 34 9.370 8.534 -0.620 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.242 9.176 -0.127 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.821 7.735 0.401 1.00 0.00 C ATOM 503 CE1 HIS A 34 8.059 8.757 1.140 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.995 7.880 1.509 1.00 0.00 N ATOM 0 H HIS A 34 9.840 6.394 -2.527 1.00 0.00 H new ATOM 0 HA HIS A 34 7.939 8.654 -2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.881 8.312 -2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.057 9.859 -2.148 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.659 9.843 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.687 7.091 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.254 9.090 1.779 1.00 0.00 H new ATOM 512 N HIS A 35 8.995 7.947 -5.471 1.00 0.00 N ATOM 513 CA HIS A 35 9.471 8.239 -6.855 1.00 0.00 C ATOM 514 C HIS A 35 9.780 9.729 -7.022 1.00 0.00 C ATOM 515 O HIS A 35 9.297 10.556 -6.275 1.00 0.00 O ATOM 516 CB HIS A 35 8.335 7.801 -7.778 1.00 0.00 C ATOM 517 CG HIS A 35 7.018 8.249 -7.224 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.568 9.528 -7.426 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.037 7.605 -6.503 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.364 9.634 -6.846 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.985 8.488 -6.267 1.00 0.00 N ATOM 0 H HIS A 35 8.309 7.196 -5.400 1.00 0.00 H new ATOM 0 HA HIS A 35 10.396 7.711 -7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.482 8.222 -8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.342 6.716 -7.887 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.061 10.267 -7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.077 6.578 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.771 10.536 -6.846 1.00 0.00 H new ATOM 529 N PRO A 36 10.600 10.011 -7.997 1.00 0.00 N ATOM 530 CA PRO A 36 11.023 11.409 -8.269 1.00 0.00 C ATOM 531 C PRO A 36 9.848 12.274 -8.724 1.00 0.00 C ATOM 532 O PRO A 36 9.427 12.230 -9.862 1.00 0.00 O ATOM 533 CB PRO A 36 12.064 11.257 -9.379 1.00 0.00 C ATOM 534 CG PRO A 36 11.730 9.958 -10.034 1.00 0.00 C ATOM 535 CD PRO A 36 11.199 9.065 -8.944 1.00 0.00 C ATOM 0 HA PRO A 36 11.416 11.909 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.011 12.083 -10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.076 11.248 -8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.988 10.097 -10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.611 9.520 -10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.463 8.357 -9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.993 8.480 -8.480 1.00 0.00 H new ATOM 543 N VAL A 37 9.333 13.077 -7.835 1.00 0.00 N ATOM 544 CA VAL A 37 8.201 13.973 -8.195 1.00 0.00 C ATOM 545 C VAL A 37 8.722 15.401 -8.345 1.00 0.00 C ATOM 546 O VAL A 37 9.712 15.773 -7.747 1.00 0.00 O ATOM 547 CB VAL A 37 7.226 13.872 -7.022 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.277 15.073 -7.036 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.412 12.582 -7.147 1.00 0.00 C ATOM 0 H VAL A 37 9.651 13.151 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 37 7.722 13.698 -9.135 1.00 0.00 H new ATOM 0 HB VAL A 37 7.786 13.864 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.583 14.998 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.854 15.994 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.717 15.084 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.716 12.508 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.854 12.593 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.085 11.725 -7.135 1.00 0.00 H new ATOM 559 N ASN A 38 8.068 16.209 -9.124 1.00 0.00 N ATOM 560 CA ASN A 38 8.539 17.611 -9.289 1.00 0.00 C ATOM 561 C ASN A 38 10.048 17.641 -9.553 1.00 0.00 C ATOM 562 O ASN A 38 10.717 18.611 -9.253 1.00 0.00 O ATOM 563 CB ASN A 38 8.237 18.254 -7.944 1.00 0.00 C ATOM 564 CG ASN A 38 8.258 19.777 -8.082 1.00 0.00 C ATOM 565 OD1 ASN A 38 9.192 20.338 -8.619 1.00 0.00 O ATOM 566 ND2 ASN A 38 7.258 20.475 -7.615 1.00 0.00 N ATOM 0 H ASN A 38 7.231 15.963 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 38 8.061 18.120 -10.126 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.262 17.926 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.973 17.936 -7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.261 21.491 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.474 20.004 -7.164 1.00 0.00 H new ATOM 573 N GLY A 39 10.597 16.588 -10.094 1.00 0.00 N ATOM 574 CA GLY A 39 12.059 16.569 -10.351 1.00 0.00 C ATOM 575 C GLY A 39 12.769 16.015 -9.116 1.00 0.00 C ATOM 576 O GLY A 39 13.948 15.720 -9.145 1.00 0.00 O ATOM 0 H GLY A 39 10.095 15.743 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.281 15.953 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.416 17.575 -10.572 1.00 0.00 H new ATOM 580 N LYS A 40 12.061 15.868 -8.025 1.00 0.00 N ATOM 581 CA LYS A 40 12.706 15.331 -6.791 1.00 0.00 C ATOM 582 C LYS A 40 11.790 14.312 -6.104 1.00 0.00 C ATOM 583 O LYS A 40 10.591 14.492 -6.030 1.00 0.00 O ATOM 584 CB LYS A 40 12.922 16.549 -5.892 1.00 0.00 C ATOM 585 CG LYS A 40 11.591 17.273 -5.684 1.00 0.00 C ATOM 586 CD LYS A 40 11.757 18.755 -6.025 1.00 0.00 C ATOM 587 CE LYS A 40 10.514 19.526 -5.578 1.00 0.00 C ATOM 588 NZ LYS A 40 10.893 20.148 -4.279 1.00 0.00 N ATOM 0 H LYS A 40 11.071 16.095 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 40 13.640 14.814 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.332 16.237 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.648 17.224 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.821 16.828 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.262 17.161 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.643 19.155 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.907 18.877 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.234 20.283 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.658 18.862 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.090 20.695 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.148 19.404 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.706 20.780 -4.421 1.00 0.00 H new ATOM 602 N GLU A 41 12.346 13.242 -5.598 1.00 0.00 N ATOM 603 CA GLU A 41 11.501 12.217 -4.917 1.00 0.00 C ATOM 604 C GLU A 41 10.912 12.789 -3.631 1.00 0.00 C ATOM 605 O GLU A 41 11.621 13.063 -2.684 1.00 0.00 O ATOM 606 CB GLU A 41 12.444 11.061 -4.578 1.00 0.00 C ATOM 607 CG GLU A 41 12.710 10.223 -5.829 1.00 0.00 C ATOM 608 CD GLU A 41 13.956 9.364 -5.612 1.00 0.00 C ATOM 609 OE1 GLU A 41 13.958 8.585 -4.672 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.886 9.497 -6.390 1.00 0.00 O ATOM 0 H GLU A 41 13.344 13.034 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 41 10.672 11.899 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.383 11.450 -4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.005 10.438 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.850 9.588 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.850 10.873 -6.692 1.00 0.00 H new ATOM 617 N ASP A 42 9.623 12.955 -3.573 1.00 0.00 N ATOM 618 CA ASP A 42 9.016 13.491 -2.326 1.00 0.00 C ATOM 619 C ASP A 42 9.158 12.452 -1.217 1.00 0.00 C ATOM 620 O ASP A 42 8.405 11.503 -1.137 1.00 0.00 O ATOM 621 CB ASP A 42 7.549 13.727 -2.648 1.00 0.00 C ATOM 622 CG ASP A 42 7.431 14.727 -3.800 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.438 14.987 -4.438 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.336 15.217 -4.023 1.00 0.00 O ATOM 0 H ASP A 42 8.968 12.745 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 42 9.497 14.410 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.070 12.786 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.030 14.107 -1.768 1.00 0.00 H new ATOM 629 N TYR A 43 10.124 12.624 -0.369 1.00 0.00 N ATOM 630 CA TYR A 43 10.329 11.645 0.734 1.00 0.00 C ATOM 631 C TYR A 43 9.401 11.973 1.906 1.00 0.00 C ATOM 632 O TYR A 43 9.839 12.160 3.024 1.00 0.00 O ATOM 633 CB TYR A 43 11.793 11.810 1.150 1.00 0.00 C ATOM 634 CG TYR A 43 12.695 11.438 -0.004 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.986 10.092 -0.261 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.241 12.438 -0.815 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.824 9.748 -1.328 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.079 12.094 -1.883 1.00 0.00 C ATOM 639 CZ TYR A 43 14.370 10.750 -2.140 1.00 0.00 C ATOM 640 OH TYR A 43 15.194 10.411 -3.193 1.00 0.00 O ATOM 0 H TYR A 43 10.785 13.401 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 43 10.108 10.624 0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.981 12.840 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.010 11.179 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.564 9.319 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.016 13.476 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.049 8.710 -1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.501 12.867 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 43 15.059 9.468 -3.424 1.00 0.00 H new ATOM 650 N GLN A 44 8.121 12.052 1.661 1.00 0.00 N ATOM 651 CA GLN A 44 7.172 12.375 2.766 1.00 0.00 C ATOM 652 C GLN A 44 6.023 11.366 2.802 1.00 0.00 C ATOM 653 O GLN A 44 5.907 10.508 1.949 1.00 0.00 O ATOM 654 CB GLN A 44 6.650 13.777 2.450 1.00 0.00 C ATOM 655 CG GLN A 44 6.234 13.854 0.980 1.00 0.00 C ATOM 656 CD GLN A 44 5.686 15.249 0.679 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.735 15.394 -0.063 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.249 16.290 1.230 1.00 0.00 N ATOM 0 H GLN A 44 7.692 11.907 0.747 1.00 0.00 H new ATOM 0 HA GLN A 44 7.655 12.332 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.800 14.012 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.421 14.518 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.088 13.641 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.477 13.100 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.047 16.168 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.890 17.225 1.038 1.00 0.00 H new ATOM 667 N LYS A 45 5.177 11.459 3.789 1.00 0.00 N ATOM 668 CA LYS A 45 4.041 10.501 3.892 1.00 0.00 C ATOM 669 C LYS A 45 3.370 10.305 2.534 1.00 0.00 C ATOM 670 O LYS A 45 3.005 11.250 1.863 1.00 0.00 O ATOM 671 CB LYS A 45 3.061 11.128 4.882 1.00 0.00 C ATOM 672 CG LYS A 45 3.029 12.648 4.704 1.00 0.00 C ATOM 673 CD LYS A 45 3.445 13.327 6.011 1.00 0.00 C ATOM 674 CE LYS A 45 2.252 13.364 6.969 1.00 0.00 C ATOM 675 NZ LYS A 45 2.574 12.361 8.022 1.00 0.00 N ATOM 0 H LYS A 45 5.223 12.158 4.530 1.00 0.00 H new ATOM 0 HA LYS A 45 4.379 9.518 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.064 10.716 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.355 10.880 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.701 12.944 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.028 12.970 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.274 12.786 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.796 14.339 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.120 14.358 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.324 13.113 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.017 12.564 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.342 11.408 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.588 12.410 8.249 1.00 0.00 H new ATOM 689 N CYS A 46 3.201 9.078 2.133 1.00 0.00 N ATOM 690 CA CYS A 46 2.548 8.798 0.825 1.00 0.00 C ATOM 691 C CYS A 46 1.258 9.607 0.684 1.00 0.00 C ATOM 692 O CYS A 46 0.952 10.133 -0.367 1.00 0.00 O ATOM 693 CB CYS A 46 2.231 7.305 0.870 1.00 0.00 C ATOM 694 SG CYS A 46 3.770 6.365 1.038 1.00 0.00 S ATOM 0 H CYS A 46 3.489 8.252 2.658 1.00 0.00 H new ATOM 0 HA CYS A 46 3.182 9.068 -0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.567 7.089 1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.707 7.006 -0.038 1.00 0.00 H new ATOM 699 N ALA A 47 0.495 9.697 1.736 1.00 0.00 N ATOM 700 CA ALA A 47 -0.787 10.458 1.669 1.00 0.00 C ATOM 701 C ALA A 47 -0.632 11.846 2.290 1.00 0.00 C ATOM 702 O ALA A 47 -1.398 12.245 3.144 1.00 0.00 O ATOM 703 CB ALA A 47 -1.776 9.630 2.478 1.00 0.00 C ATOM 0 H ALA A 47 0.702 9.276 2.642 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.113 10.611 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.748 10.123 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.871 8.640 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.417 9.534 3.503 1.00 0.00 H new ATOM 709 N THR A 48 0.352 12.579 1.867 1.00 0.00 N ATOM 710 CA THR A 48 0.564 13.943 2.419 1.00 0.00 C ATOM 711 C THR A 48 -0.750 14.728 2.424 1.00 0.00 C ATOM 712 O THR A 48 -1.803 14.207 2.119 1.00 0.00 O ATOM 713 CB THR A 48 1.576 14.597 1.478 1.00 0.00 C ATOM 714 OG1 THR A 48 2.311 13.588 0.799 1.00 0.00 O ATOM 715 CG2 THR A 48 2.537 15.472 2.285 1.00 0.00 C ATOM 0 H THR A 48 1.025 12.291 1.157 1.00 0.00 H new ATOM 0 HA THR A 48 0.919 13.919 3.449 1.00 0.00 H new ATOM 0 HB THR A 48 1.048 15.215 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.703 12.973 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.258 15.937 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.974 16.247 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.065 14.856 3.013 1.00 0.00 H new ATOM 723 N ALA A 49 -0.691 15.981 2.772 1.00 0.00 N ATOM 724 CA ALA A 49 -1.931 16.811 2.806 1.00 0.00 C ATOM 725 C ALA A 49 -2.429 17.089 1.385 1.00 0.00 C ATOM 726 O ALA A 49 -3.582 17.406 1.172 1.00 0.00 O ATOM 727 CB ALA A 49 -1.516 18.112 3.493 1.00 0.00 C ATOM 0 H ALA A 49 0.164 16.470 3.036 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.745 16.312 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.375 18.780 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.150 17.893 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.726 18.592 2.916 1.00 0.00 H new ATOM 733 N GLY A 50 -1.570 16.970 0.411 1.00 0.00 N ATOM 734 CA GLY A 50 -1.995 17.225 -0.995 1.00 0.00 C ATOM 735 C GLY A 50 -1.408 16.139 -1.893 1.00 0.00 C ATOM 736 O GLY A 50 -1.010 16.388 -3.013 1.00 0.00 O ATOM 0 H GLY A 50 -0.591 16.707 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.083 17.226 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.654 18.208 -1.320 1.00 0.00 H new ATOM 740 N CYS A 51 -1.341 14.937 -1.398 1.00 0.00 N ATOM 741 CA CYS A 51 -0.770 13.824 -2.201 1.00 0.00 C ATOM 742 C CYS A 51 -1.767 12.658 -2.261 1.00 0.00 C ATOM 743 O CYS A 51 -2.895 12.827 -2.679 1.00 0.00 O ATOM 744 CB CYS A 51 0.508 13.455 -1.446 1.00 0.00 C ATOM 745 SG CYS A 51 1.861 13.241 -2.624 1.00 0.00 S ATOM 0 H CYS A 51 -1.660 14.676 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.564 14.087 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.757 14.236 -0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.356 12.537 -0.879 1.00 0.00 H new ATOM 750 N HIS A 52 -1.380 11.483 -1.844 1.00 0.00 N ATOM 751 CA HIS A 52 -2.336 10.338 -1.883 1.00 0.00 C ATOM 752 C HIS A 52 -3.301 10.453 -0.703 1.00 0.00 C ATOM 753 O HIS A 52 -3.397 9.567 0.123 1.00 0.00 O ATOM 754 CB HIS A 52 -1.479 9.078 -1.731 1.00 0.00 C ATOM 755 CG HIS A 52 -0.657 8.853 -2.960 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.239 8.671 -4.190 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.698 8.760 -3.164 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.254 8.478 -5.086 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.950 8.526 -4.510 1.00 0.00 N ATOM 0 H HIS A 52 -0.452 11.267 -1.481 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.920 10.318 -2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.827 9.177 -0.863 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.120 8.215 -1.552 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.239 8.680 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.452 8.854 -2.396 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.417 8.306 -6.140 1.00 0.00 H new ATOM 767 N ASP A 53 -4.005 11.548 -0.607 1.00 0.00 N ATOM 768 CA ASP A 53 -4.947 11.728 0.533 1.00 0.00 C ATOM 769 C ASP A 53 -6.403 11.676 0.061 1.00 0.00 C ATOM 770 O ASP A 53 -7.287 12.194 0.714 1.00 0.00 O ATOM 771 CB ASP A 53 -4.620 13.110 1.098 1.00 0.00 C ATOM 772 CG ASP A 53 -4.853 14.170 0.021 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.783 13.825 -1.147 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.098 15.310 0.381 1.00 0.00 O ATOM 0 H ASP A 53 -3.968 12.324 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.837 10.938 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.245 13.316 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.584 13.141 1.435 1.00 0.00 H new ATOM 779 N ASN A 54 -6.674 11.052 -1.055 1.00 0.00 N ATOM 780 CA ASN A 54 -8.086 10.980 -1.521 1.00 0.00 C ATOM 781 C ASN A 54 -8.814 9.879 -0.748 1.00 0.00 C ATOM 782 O ASN A 54 -8.590 8.704 -0.963 1.00 0.00 O ATOM 783 CB ASN A 54 -8.011 10.646 -3.010 1.00 0.00 C ATOM 784 CG ASN A 54 -8.864 11.639 -3.800 1.00 0.00 C ATOM 785 OD1 ASN A 54 -8.649 12.832 -3.732 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.829 11.191 -4.553 1.00 0.00 N ATOM 0 H ASN A 54 -5.988 10.595 -1.656 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.631 11.910 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.977 10.687 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.363 9.629 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.405 11.843 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.009 10.189 -4.609 1.00 0.00 H new ATOM 793 N MET A 55 -9.673 10.250 0.161 1.00 0.00 N ATOM 794 CA MET A 55 -10.401 9.225 0.960 1.00 0.00 C ATOM 795 C MET A 55 -11.572 8.646 0.161 1.00 0.00 C ATOM 796 O MET A 55 -12.497 8.088 0.718 1.00 0.00 O ATOM 797 CB MET A 55 -10.913 9.974 2.191 1.00 0.00 C ATOM 798 CG MET A 55 -9.883 9.870 3.317 1.00 0.00 C ATOM 799 SD MET A 55 -9.141 11.494 3.610 1.00 0.00 S ATOM 800 CE MET A 55 -7.449 10.922 3.898 1.00 0.00 C ATOM 0 H MET A 55 -9.902 11.218 0.385 1.00 0.00 H new ATOM 0 HA MET A 55 -9.759 8.385 1.226 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.093 11.020 1.944 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.865 9.554 2.515 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.360 9.507 4.228 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.111 9.148 3.052 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.236 10.938 4.967 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.340 9.905 3.522 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.750 11.578 3.379 1.00 0.00 H new ATOM 810 N ASP A 56 -11.537 8.763 -1.137 1.00 0.00 N ATOM 811 CA ASP A 56 -12.646 8.206 -1.959 1.00 0.00 C ATOM 812 C ASP A 56 -12.455 6.698 -2.119 1.00 0.00 C ATOM 813 O ASP A 56 -13.372 5.976 -2.458 1.00 0.00 O ATOM 814 CB ASP A 56 -12.533 8.911 -3.312 1.00 0.00 C ATOM 815 CG ASP A 56 -13.922 9.356 -3.774 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.861 9.179 -3.016 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.022 9.866 -4.877 1.00 0.00 O ATOM 0 H ASP A 56 -10.791 9.219 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.625 8.363 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.872 9.774 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.091 8.239 -4.048 1.00 0.00 H new ATOM 822 N LYS A 57 -11.265 6.216 -1.873 1.00 0.00 N ATOM 823 CA LYS A 57 -11.011 4.754 -2.006 1.00 0.00 C ATOM 824 C LYS A 57 -11.348 4.289 -3.424 1.00 0.00 C ATOM 825 O LYS A 57 -11.489 3.111 -3.688 1.00 0.00 O ATOM 826 CB LYS A 57 -11.944 4.101 -0.986 1.00 0.00 C ATOM 827 CG LYS A 57 -11.683 4.698 0.397 1.00 0.00 C ATOM 828 CD LYS A 57 -12.811 4.296 1.349 1.00 0.00 C ATOM 829 CE LYS A 57 -14.157 4.721 0.755 1.00 0.00 C ATOM 830 NZ LYS A 57 -15.014 5.033 1.931 1.00 0.00 N ATOM 0 H LYS A 57 -10.460 6.772 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.968 4.493 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.983 4.261 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.781 3.023 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.726 4.346 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.620 5.784 0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.797 3.218 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.666 4.767 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.046 5.590 0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.591 3.925 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.955 5.333 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.107 4.186 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.579 5.799 2.484 1.00 0.00 H new ATOM 844 N LYS A 58 -11.482 5.210 -4.340 1.00 0.00 N ATOM 845 CA LYS A 58 -11.815 4.827 -5.743 1.00 0.00 C ATOM 846 C LYS A 58 -10.937 5.596 -6.738 1.00 0.00 C ATOM 847 O LYS A 58 -10.752 5.179 -7.864 1.00 0.00 O ATOM 848 CB LYS A 58 -13.284 5.215 -5.916 1.00 0.00 C ATOM 849 CG LYS A 58 -13.400 6.736 -6.034 1.00 0.00 C ATOM 850 CD LYS A 58 -13.689 7.114 -7.489 1.00 0.00 C ATOM 851 CE LYS A 58 -14.780 8.186 -7.531 1.00 0.00 C ATOM 852 NZ LYS A 58 -14.907 8.548 -8.970 1.00 0.00 N ATOM 0 H LYS A 58 -11.375 6.211 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.642 3.767 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.695 4.738 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.867 4.860 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.197 7.102 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.476 7.209 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.782 7.484 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.007 6.234 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.722 7.807 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.506 9.052 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.638 9.280 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.997 8.912 -9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.175 7.705 -9.518 1.00 0.00 H new ATOM 866 N ASP A 59 -10.398 6.716 -6.336 1.00 0.00 N ATOM 867 CA ASP A 59 -9.540 7.503 -7.267 1.00 0.00 C ATOM 868 C ASP A 59 -8.486 6.598 -7.911 1.00 0.00 C ATOM 869 O ASP A 59 -7.567 6.140 -7.263 1.00 0.00 O ATOM 870 CB ASP A 59 -8.873 8.563 -6.389 1.00 0.00 C ATOM 871 CG ASP A 59 -7.673 9.160 -7.129 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.671 8.475 -7.240 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.780 10.293 -7.571 1.00 0.00 O ATOM 0 H ASP A 59 -10.515 7.119 -5.406 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.114 7.948 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.588 9.348 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.549 8.119 -5.448 1.00 0.00 H new ATOM 878 N LYS A 60 -8.614 6.339 -9.184 1.00 0.00 N ATOM 879 CA LYS A 60 -7.621 5.465 -9.870 1.00 0.00 C ATOM 880 C LYS A 60 -6.481 6.310 -10.443 1.00 0.00 C ATOM 881 O LYS A 60 -5.713 5.858 -11.268 1.00 0.00 O ATOM 882 CB LYS A 60 -8.402 4.787 -10.996 1.00 0.00 C ATOM 883 CG LYS A 60 -8.475 3.282 -10.734 1.00 0.00 C ATOM 884 CD LYS A 60 -7.141 2.633 -11.107 1.00 0.00 C ATOM 885 CE LYS A 60 -7.319 1.787 -12.370 1.00 0.00 C ATOM 886 NZ LYS A 60 -7.090 0.383 -11.927 1.00 0.00 N ATOM 0 H LYS A 60 -9.363 6.695 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.170 4.740 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.407 5.205 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.918 4.977 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.701 3.096 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.282 2.839 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.385 3.401 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.786 2.010 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.317 1.911 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.608 2.078 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.712 -0.174 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.409 0.374 -11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.989 -0.032 -11.611 1.00 0.00 H new ATOM 900 N SER A 61 -6.367 7.538 -10.013 1.00 0.00 N ATOM 901 CA SER A 61 -5.278 8.413 -10.534 1.00 0.00 C ATOM 902 C SER A 61 -4.051 8.337 -9.623 1.00 0.00 C ATOM 903 O SER A 61 -3.949 7.474 -8.772 1.00 0.00 O ATOM 904 CB SER A 61 -5.867 9.823 -10.524 1.00 0.00 C ATOM 905 OG SER A 61 -5.856 10.346 -11.846 1.00 0.00 O ATOM 0 H SER A 61 -6.981 7.973 -9.324 1.00 0.00 H new ATOM 0 HA SER A 61 -4.950 8.114 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.886 9.801 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.289 10.467 -9.861 1.00 0.00 H new ATOM 0 HG SER A 61 -6.235 11.250 -11.843 1.00 0.00 H new ATOM 911 N ALA A 62 -3.118 9.234 -9.793 1.00 0.00 N ATOM 912 CA ALA A 62 -1.897 9.215 -8.938 1.00 0.00 C ATOM 913 C ALA A 62 -2.117 10.065 -7.681 1.00 0.00 C ATOM 914 O ALA A 62 -1.183 10.574 -7.095 1.00 0.00 O ATOM 915 CB ALA A 62 -0.798 9.826 -9.808 1.00 0.00 C ATOM 0 H ALA A 62 -3.149 9.980 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.643 8.209 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.138 9.849 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.669 9.224 -10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.078 10.842 -10.088 1.00 0.00 H new ATOM 921 N LYS A 63 -3.345 10.228 -7.265 1.00 0.00 N ATOM 922 CA LYS A 63 -3.617 11.054 -6.051 1.00 0.00 C ATOM 923 C LYS A 63 -4.514 10.295 -5.070 1.00 0.00 C ATOM 924 O LYS A 63 -4.707 10.712 -3.945 1.00 0.00 O ATOM 925 CB LYS A 63 -4.344 12.293 -6.573 1.00 0.00 C ATOM 926 CG LYS A 63 -3.867 13.528 -5.805 1.00 0.00 C ATOM 927 CD LYS A 63 -4.883 13.878 -4.717 1.00 0.00 C ATOM 928 CE LYS A 63 -5.403 15.300 -4.941 1.00 0.00 C ATOM 929 NZ LYS A 63 -6.877 15.206 -4.739 1.00 0.00 N ATOM 0 H LYS A 63 -4.170 9.826 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.700 11.302 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.152 12.418 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.421 12.172 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.891 13.337 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.745 14.369 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.711 13.169 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.420 13.800 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.952 16.001 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.163 15.655 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.193 15.980 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.359 15.279 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.109 14.293 -4.298 1.00 0.00 H new ATOM 943 N GLY A 64 -5.071 9.193 -5.485 1.00 0.00 N ATOM 944 CA GLY A 64 -5.961 8.425 -4.570 1.00 0.00 C ATOM 945 C GLY A 64 -5.131 7.485 -3.701 1.00 0.00 C ATOM 946 O GLY A 64 -4.366 6.677 -4.191 1.00 0.00 O ATOM 0 H GLY A 64 -4.950 8.791 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.527 9.111 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.685 7.853 -5.150 1.00 0.00 H new ATOM 950 N TYR A 65 -5.283 7.580 -2.411 1.00 0.00 N ATOM 951 CA TYR A 65 -4.516 6.688 -1.497 1.00 0.00 C ATOM 952 C TYR A 65 -4.765 5.228 -1.883 1.00 0.00 C ATOM 953 O TYR A 65 -3.852 4.478 -2.166 1.00 0.00 O ATOM 954 CB TYR A 65 -5.089 6.983 -0.110 1.00 0.00 C ATOM 955 CG TYR A 65 -4.046 6.740 0.957 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.681 6.769 0.638 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.449 6.489 2.273 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.725 6.547 1.634 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.492 6.267 3.268 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.131 6.296 2.949 1.00 0.00 C ATOM 961 OH TYR A 65 -1.188 6.080 3.929 1.00 0.00 O ATOM 0 H TYR A 65 -5.908 8.240 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.440 6.854 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.431 8.017 -0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.958 6.351 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.368 6.963 -0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.500 6.467 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.674 6.569 1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.804 6.073 4.284 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.886 6.941 4.287 1.00 0.00 H new ATOM 971 N TYR A 66 -6.005 4.831 -1.895 1.00 0.00 N ATOM 972 CA TYR A 66 -6.357 3.429 -2.260 1.00 0.00 C ATOM 973 C TYR A 66 -5.585 2.970 -3.499 1.00 0.00 C ATOM 974 O TYR A 66 -4.775 2.067 -3.444 1.00 0.00 O ATOM 975 CB TYR A 66 -7.848 3.497 -2.577 1.00 0.00 C ATOM 976 CG TYR A 66 -8.545 2.265 -2.062 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.450 1.059 -2.764 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.298 2.335 -0.886 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.110 -0.081 -2.289 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.956 1.197 -0.411 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.863 -0.011 -1.111 1.00 0.00 C ATOM 982 OH TYR A 66 -10.517 -1.133 -0.644 1.00 0.00 O ATOM 0 H TYR A 66 -6.801 5.425 -1.665 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.114 2.724 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.284 4.387 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.995 3.584 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.868 1.007 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.371 3.267 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.038 -1.013 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.537 1.250 0.498 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.556 -1.808 -1.353 1.00 0.00 H new ATOM 992 N HIS A 67 -5.860 3.571 -4.620 1.00 0.00 N ATOM 993 CA HIS A 67 -5.181 3.166 -5.881 1.00 0.00 C ATOM 994 C HIS A 67 -3.698 2.842 -5.651 1.00 0.00 C ATOM 995 O HIS A 67 -3.306 1.694 -5.580 1.00 0.00 O ATOM 996 CB HIS A 67 -5.319 4.374 -6.806 1.00 0.00 C ATOM 997 CG HIS A 67 -4.384 4.206 -7.967 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.624 3.289 -8.975 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.189 4.802 -8.278 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.594 3.351 -9.833 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -2.690 4.259 -9.458 1.00 0.00 N ATOM 0 H HIS A 67 -6.532 4.332 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.626 2.262 -6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.346 4.463 -7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.087 5.291 -6.265 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.436 2.677 -9.052 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.709 5.575 -7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.507 2.740 -10.719 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.875 3.848 -5.571 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.410 3.614 -5.385 1.00 0.00 C ATOM 1011 C ALA A 68 -1.133 2.509 -4.357 1.00 0.00 C ATOM 1012 O ALA A 68 -0.082 1.902 -4.365 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.860 4.948 -4.879 1.00 0.00 C ATOM 0 H ALA A 68 -3.151 4.828 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.944 3.287 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.214 4.861 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.053 5.725 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.348 5.210 -3.941 1.00 0.00 H new ATOM 1019 N MET A 69 -2.037 2.258 -3.456 1.00 0.00 N ATOM 1020 CA MET A 69 -1.778 1.212 -2.423 1.00 0.00 C ATOM 1021 C MET A 69 -2.294 -0.163 -2.850 1.00 0.00 C ATOM 1022 O MET A 69 -1.698 -1.175 -2.538 1.00 0.00 O ATOM 1023 CB MET A 69 -2.524 1.701 -1.190 1.00 0.00 C ATOM 1024 CG MET A 69 -1.908 3.023 -0.735 1.00 0.00 C ATOM 1025 SD MET A 69 -1.023 2.783 0.823 1.00 0.00 S ATOM 1026 CE MET A 69 0.337 3.924 0.472 1.00 0.00 C ATOM 0 H MET A 69 -2.940 2.727 -3.387 1.00 0.00 H new ATOM 0 HA MET A 69 -0.710 1.081 -2.251 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.582 1.836 -1.417 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.461 0.961 -0.392 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.225 3.398 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.688 3.774 -0.609 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.851 4.174 1.400 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.039 3.453 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.059 4.834 0.020 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.397 -0.226 -3.537 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.924 -1.556 -3.941 1.00 0.00 C ATOM 1038 C HIS A 70 -3.675 -1.815 -5.430 1.00 0.00 C ATOM 1039 O HIS A 70 -3.788 -2.929 -5.899 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.420 -1.480 -3.645 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.629 -1.013 -2.230 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.982 0.293 -1.927 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.539 -1.664 -1.025 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -6.091 0.385 -0.588 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.832 -0.779 0.009 1.00 0.00 N ATOM 0 H HIS A 70 -3.952 0.577 -3.834 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.437 -2.372 -3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.905 -0.795 -4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.880 -2.458 -3.788 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.132 1.047 -2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.280 -2.705 -0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.356 1.290 -0.062 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.340 -0.800 -6.179 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.090 -1.003 -7.635 1.00 0.00 C ATOM 1055 C ASP A 71 -1.672 -1.523 -7.875 1.00 0.00 C ATOM 1056 O ASP A 71 -0.774 -1.297 -7.090 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.275 0.378 -8.255 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.769 0.685 -8.351 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.441 0.575 -7.340 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.217 1.016 -9.436 1.00 0.00 O ATOM 0 H ASP A 71 -3.229 0.158 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.763 -1.742 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.774 1.133 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.820 0.410 -9.245 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.467 -2.219 -8.961 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.111 -2.757 -9.263 1.00 0.00 C ATOM 1067 C LYS A 72 0.489 -2.010 -10.457 1.00 0.00 C ATOM 1068 O LYS A 72 1.570 -1.462 -10.381 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.345 -4.234 -9.596 1.00 0.00 C ATOM 1070 CG LYS A 72 0.662 -4.697 -10.650 1.00 0.00 C ATOM 1071 CD LYS A 72 0.650 -6.227 -10.728 1.00 0.00 C ATOM 1072 CE LYS A 72 1.874 -6.708 -11.512 1.00 0.00 C ATOM 1073 NZ LYS A 72 1.349 -7.749 -12.439 1.00 0.00 N ATOM 0 H LYS A 72 -2.183 -2.438 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 72 0.588 -2.637 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.245 -4.839 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.361 -4.376 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.411 -4.270 -11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.661 -4.343 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.657 -6.653 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.264 -6.570 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.339 -5.889 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.634 -7.118 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.129 -8.128 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.918 -8.519 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.633 -7.328 -13.064 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.212 -1.979 -11.554 1.00 0.00 N ATOM 1088 CA GLY A 73 0.307 -1.260 -12.753 1.00 0.00 C ATOM 1089 C GLY A 73 0.289 0.244 -12.481 1.00 0.00 C ATOM 1090 O GLY A 73 -0.358 1.005 -13.174 1.00 0.00 O ATOM 0 H GLY A 73 -1.124 -2.421 -11.674 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.321 -1.589 -12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.305 -1.492 -13.625 1.00 0.00 H new ATOM 1094 N THR A 74 0.988 0.676 -11.469 1.00 0.00 N ATOM 1095 CA THR A 74 1.010 2.129 -11.136 1.00 0.00 C ATOM 1096 C THR A 74 2.320 2.769 -11.601 1.00 0.00 C ATOM 1097 O THR A 74 3.300 2.092 -11.840 1.00 0.00 O ATOM 1098 CB THR A 74 0.923 2.173 -9.610 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.799 1.198 -9.063 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.509 1.876 -9.162 1.00 0.00 C ATOM 0 H THR A 74 1.547 0.084 -10.855 1.00 0.00 H new ATOM 0 HA THR A 74 0.200 2.674 -11.622 1.00 0.00 H new ATOM 0 HB THR A 74 1.209 3.165 -9.261 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.705 1.567 -9.006 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.564 1.909 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.184 2.622 -9.582 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.801 0.885 -9.510 1.00 0.00 H new ATOM 1108 N LYS A 75 2.348 4.073 -11.717 1.00 0.00 N ATOM 1109 CA LYS A 75 3.602 4.756 -12.149 1.00 0.00 C ATOM 1110 C LYS A 75 4.806 4.067 -11.503 1.00 0.00 C ATOM 1111 O LYS A 75 5.848 3.908 -12.108 1.00 0.00 O ATOM 1112 CB LYS A 75 3.466 6.190 -11.626 1.00 0.00 C ATOM 1113 CG LYS A 75 4.343 7.130 -12.456 1.00 0.00 C ATOM 1114 CD LYS A 75 3.943 7.047 -13.931 1.00 0.00 C ATOM 1115 CE LYS A 75 5.177 6.718 -14.776 1.00 0.00 C ATOM 1116 NZ LYS A 75 6.138 7.820 -14.494 1.00 0.00 N ATOM 0 H LYS A 75 1.558 4.691 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 75 3.748 4.728 -13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.425 6.509 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.761 6.234 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.235 8.154 -12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.393 6.861 -12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.179 6.282 -14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.509 7.993 -14.255 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.596 5.749 -14.504 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.929 6.671 -15.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.668 8.048 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.617 8.662 -14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.801 7.521 -13.751 1.00 0.00 H new ATOM 1130 N PHE A 76 4.660 3.653 -10.276 1.00 0.00 N ATOM 1131 CA PHE A 76 5.783 2.963 -9.572 1.00 0.00 C ATOM 1132 C PHE A 76 5.270 1.717 -8.862 1.00 0.00 C ATOM 1133 O PHE A 76 4.084 1.450 -8.845 1.00 0.00 O ATOM 1134 CB PHE A 76 6.285 3.969 -8.546 1.00 0.00 C ATOM 1135 CG PHE A 76 6.645 5.248 -9.249 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.805 5.322 -10.026 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.805 6.360 -9.132 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.124 6.511 -10.689 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.125 7.549 -9.792 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.283 7.624 -10.570 1.00 0.00 C ATOM 0 H PHE A 76 3.808 3.762 -9.726 1.00 0.00 H new ATOM 0 HA PHE A 76 6.566 2.649 -10.262 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.517 4.156 -7.795 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.154 3.570 -8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.453 4.463 -10.114 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.909 6.300 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.018 6.571 -11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.478 8.409 -9.701 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.530 8.543 -11.081 1.00 0.00 H new ATOM 1150 N LYS A 77 6.137 0.953 -8.254 1.00 0.00 N ATOM 1151 CA LYS A 77 5.647 -0.248 -7.541 1.00 0.00 C ATOM 1152 C LYS A 77 4.919 0.187 -6.273 1.00 0.00 C ATOM 1153 O LYS A 77 5.494 0.733 -5.353 1.00 0.00 O ATOM 1154 CB LYS A 77 6.869 -1.093 -7.217 1.00 0.00 C ATOM 1155 CG LYS A 77 7.868 -0.288 -6.387 1.00 0.00 C ATOM 1156 CD LYS A 77 9.147 -1.111 -6.214 1.00 0.00 C ATOM 1157 CE LYS A 77 9.671 -1.535 -7.589 1.00 0.00 C ATOM 1158 NZ LYS A 77 11.000 -2.151 -7.321 1.00 0.00 N ATOM 0 H LYS A 77 7.145 1.109 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 77 4.945 -0.826 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.567 -1.986 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.341 -1.430 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.092 0.658 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.441 -0.046 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.902 -0.524 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.946 -1.991 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.996 -2.245 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.760 -0.680 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.293 -2.716 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.701 -1.403 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.935 -2.766 -6.485 1.00 0.00 H new ATOM 1172 N SER A 78 3.647 -0.037 -6.256 1.00 0.00 N ATOM 1173 CA SER A 78 2.802 0.370 -5.095 1.00 0.00 C ATOM 1174 C SER A 78 2.921 -0.626 -3.939 1.00 0.00 C ATOM 1175 O SER A 78 3.651 -1.594 -4.008 1.00 0.00 O ATOM 1176 CB SER A 78 1.382 0.356 -5.649 1.00 0.00 C ATOM 1177 OG SER A 78 1.326 -0.520 -6.767 1.00 0.00 O ATOM 0 H SER A 78 3.137 -0.495 -7.011 1.00 0.00 H new ATOM 0 HA SER A 78 3.101 1.339 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.682 0.029 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.084 1.362 -5.945 1.00 0.00 H new ATOM 0 HG SER A 78 0.416 -0.528 -7.131 1.00 0.00 H new ATOM 1183 N CYS A 79 2.192 -0.396 -2.877 1.00 0.00 N ATOM 1184 CA CYS A 79 2.242 -1.327 -1.715 1.00 0.00 C ATOM 1185 C CYS A 79 1.721 -2.699 -2.140 1.00 0.00 C ATOM 1186 O CYS A 79 2.469 -3.650 -2.258 1.00 0.00 O ATOM 1187 CB CYS A 79 1.325 -0.699 -0.664 1.00 0.00 C ATOM 1188 SG CYS A 79 1.771 1.041 -0.429 1.00 0.00 S ATOM 0 H CYS A 79 1.563 0.399 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 79 3.252 -1.470 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.285 -0.779 -0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.414 -1.238 0.279 1.00 0.00 H new ATOM 1193 N VAL A 80 0.446 -2.806 -2.393 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.114 -4.115 -2.834 1.00 0.00 C ATOM 1195 C VAL A 80 0.474 -4.473 -4.201 1.00 0.00 C ATOM 1196 O VAL A 80 0.546 -5.626 -4.578 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.624 -3.895 -2.934 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.272 -5.105 -3.608 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.213 -3.719 -1.530 1.00 0.00 C ATOM 0 H VAL A 80 -0.231 -2.047 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 80 0.121 -4.930 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.820 -3.000 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.348 -4.949 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.856 -5.230 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.074 -6.000 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.289 -3.562 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.016 -4.613 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.753 -2.856 -1.048 1.00 0.00 H new ATOM 1209 N GLY A 81 0.906 -3.485 -4.941 1.00 0.00 N ATOM 1210 CA GLY A 81 1.504 -3.755 -6.279 1.00 0.00 C ATOM 1211 C GLY A 81 2.906 -4.332 -6.088 1.00 0.00 C ATOM 1212 O GLY A 81 3.297 -5.274 -6.748 1.00 0.00 O ATOM 0 H GLY A 81 0.870 -2.501 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.881 -4.455 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.551 -2.836 -6.863 1.00 0.00 H new ATOM 1216 N CYS A 82 3.659 -3.787 -5.171 1.00 0.00 N ATOM 1217 CA CYS A 82 5.027 -4.321 -4.916 1.00 0.00 C ATOM 1218 C CYS A 82 4.899 -5.568 -4.051 1.00 0.00 C ATOM 1219 O CYS A 82 5.767 -6.417 -4.016 1.00 0.00 O ATOM 1220 CB CYS A 82 5.761 -3.217 -4.152 1.00 0.00 C ATOM 1221 SG CYS A 82 7.548 -3.498 -4.244 1.00 0.00 S ATOM 0 H CYS A 82 3.386 -2.996 -4.588 1.00 0.00 H new ATOM 0 HA CYS A 82 5.559 -4.587 -5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.514 -2.243 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.438 -3.205 -3.111 1.00 0.00 H new ATOM 1226 N HIS A 83 3.803 -5.673 -3.358 1.00 0.00 N ATOM 1227 CA HIS A 83 3.571 -6.850 -2.486 1.00 0.00 C ATOM 1228 C HIS A 83 3.205 -8.065 -3.344 1.00 0.00 C ATOM 1229 O HIS A 83 3.888 -9.069 -3.329 1.00 0.00 O ATOM 1230 CB HIS A 83 2.417 -6.418 -1.581 1.00 0.00 C ATOM 1231 CG HIS A 83 2.986 -5.727 -0.376 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.320 -5.677 0.839 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.169 -5.058 -0.182 1.00 0.00 C ATOM 1234 CE1 HIS A 83 3.101 -5.005 1.701 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.238 -4.605 1.131 1.00 0.00 N ATOM 0 H HIS A 83 3.050 -4.985 -3.360 1.00 0.00 H new ATOM 0 HA HIS A 83 4.445 -7.145 -1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.745 -5.749 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.829 -7.284 -1.278 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.404 -6.077 1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.929 -4.907 -0.934 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.840 -4.812 2.731 1.00 0.00 H new ATOM 1243 N LEU A 84 2.153 -7.980 -4.114 1.00 0.00 N ATOM 1244 CA LEU A 84 1.781 -9.122 -4.983 1.00 0.00 C ATOM 1245 C LEU A 84 3.001 -9.567 -5.791 1.00 0.00 C ATOM 1246 O LEU A 84 3.153 -10.726 -6.124 1.00 0.00 O ATOM 1247 CB LEU A 84 0.700 -8.560 -5.898 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.511 -9.487 -5.875 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.748 -8.726 -6.352 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.259 -10.682 -6.797 1.00 0.00 C ATOM 0 H LEU A 84 1.539 -7.168 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 84 1.433 -9.992 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.414 -7.561 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.081 -8.465 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.675 -9.842 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.612 -9.390 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.929 -7.877 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.585 -8.368 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.125 -11.344 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.093 -10.328 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.621 -11.227 -6.454 1.00 0.00 H new ATOM 1262 N GLU A 85 3.879 -8.650 -6.098 1.00 0.00 N ATOM 1263 CA GLU A 85 5.100 -9.010 -6.873 1.00 0.00 C ATOM 1264 C GLU A 85 6.188 -9.511 -5.921 1.00 0.00 C ATOM 1265 O GLU A 85 6.789 -10.544 -6.138 1.00 0.00 O ATOM 1266 CB GLU A 85 5.537 -7.712 -7.555 1.00 0.00 C ATOM 1267 CG GLU A 85 5.459 -7.880 -9.074 1.00 0.00 C ATOM 1268 CD GLU A 85 6.737 -8.550 -9.580 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.763 -9.769 -9.632 1.00 0.00 O ATOM 1270 OE2 GLU A 85 7.669 -7.834 -9.907 1.00 0.00 O ATOM 0 H GLU A 85 3.802 -7.665 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 85 4.915 -9.803 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.898 -6.889 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.555 -7.458 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.590 -8.482 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.331 -6.909 -9.552 1.00 0.00 H new ATOM 1277 N THR A 86 6.439 -8.790 -4.861 1.00 0.00 N ATOM 1278 CA THR A 86 7.481 -9.235 -3.891 1.00 0.00 C ATOM 1279 C THR A 86 7.082 -10.587 -3.295 1.00 0.00 C ATOM 1280 O THR A 86 7.872 -11.254 -2.657 1.00 0.00 O ATOM 1281 CB THR A 86 7.511 -8.147 -2.810 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.326 -7.069 -3.252 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.085 -8.720 -1.511 1.00 0.00 C ATOM 0 H THR A 86 5.970 -7.916 -4.626 1.00 0.00 H new ATOM 0 HA THR A 86 8.460 -9.364 -4.353 1.00 0.00 H new ATOM 0 HB THR A 86 6.497 -7.792 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.766 -6.393 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.104 -7.942 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.462 -9.547 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.099 -9.079 -1.688 1.00 0.00 H new ATOM 1291 N ALA A 87 5.859 -10.996 -3.504 1.00 0.00 N ATOM 1292 CA ALA A 87 5.405 -12.307 -2.958 1.00 0.00 C ATOM 1293 C ALA A 87 5.850 -13.442 -3.883 1.00 0.00 C ATOM 1294 O ALA A 87 6.198 -14.519 -3.440 1.00 0.00 O ATOM 1295 CB ALA A 87 3.879 -12.210 -2.915 1.00 0.00 C ATOM 0 H ALA A 87 5.155 -10.478 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 87 5.825 -12.517 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.466 -13.140 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.585 -11.382 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.497 -12.039 -3.921 1.00 0.00 H new ATOM 1301 N GLY A 88 5.847 -13.204 -5.165 1.00 0.00 N ATOM 1302 CA GLY A 88 6.274 -14.261 -6.126 1.00 0.00 C ATOM 1303 C GLY A 88 5.352 -15.476 -6.007 1.00 0.00 C ATOM 1304 O GLY A 88 5.751 -16.522 -5.535 1.00 0.00 O ATOM 0 H GLY A 88 5.566 -12.320 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.247 -13.872 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.304 -14.554 -5.924 1.00 0.00 H new ATOM 1308 N ALA A 89 4.126 -15.348 -6.436 1.00 0.00 N ATOM 1309 CA ALA A 89 3.179 -16.499 -6.352 1.00 0.00 C ATOM 1310 C ALA A 89 3.389 -17.268 -5.049 1.00 0.00 C ATOM 1311 O ALA A 89 3.707 -18.440 -5.046 1.00 0.00 O ATOM 1312 CB ALA A 89 3.524 -17.381 -7.543 1.00 0.00 C ATOM 0 H ALA A 89 3.738 -14.496 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 89 2.139 -16.174 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.869 -18.252 -7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.389 -16.816 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.561 -17.707 -7.466 1.00 0.00 H new ATOM 1318 N ASP A 90 3.214 -16.611 -3.944 1.00 0.00 N ATOM 1319 CA ASP A 90 3.399 -17.277 -2.634 1.00 0.00 C ATOM 1320 C ASP A 90 2.194 -16.986 -1.744 1.00 0.00 C ATOM 1321 O ASP A 90 2.177 -16.038 -0.984 1.00 0.00 O ATOM 1322 CB ASP A 90 4.665 -16.655 -2.064 1.00 0.00 C ATOM 1323 CG ASP A 90 4.940 -17.223 -0.670 1.00 0.00 C ATOM 1324 OD1 ASP A 90 3.987 -17.594 -0.006 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.099 -17.277 -0.293 1.00 0.00 O ATOM 0 H ASP A 90 2.947 -15.628 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 90 3.484 -18.361 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.509 -16.859 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.556 -15.572 -2.010 1.00 0.00 H new ATOM 1330 N ALA A 91 1.185 -17.795 -1.853 1.00 0.00 N ATOM 1331 CA ALA A 91 -0.046 -17.586 -1.035 1.00 0.00 C ATOM 1332 C ALA A 91 0.325 -17.103 0.368 1.00 0.00 C ATOM 1333 O ALA A 91 -0.413 -16.373 0.998 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.718 -18.957 -0.971 1.00 0.00 C ATOM 0 H ALA A 91 1.155 -18.601 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.703 -16.831 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.634 -18.886 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.958 -19.292 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.042 -19.672 -0.503 1.00 0.00 H new ATOM 1340 N ALA A 92 1.473 -17.485 0.854 1.00 0.00 N ATOM 1341 CA ALA A 92 1.893 -17.019 2.206 1.00 0.00 C ATOM 1342 C ALA A 92 2.305 -15.556 2.111 1.00 0.00 C ATOM 1343 O ALA A 92 1.894 -14.725 2.895 1.00 0.00 O ATOM 1344 CB ALA A 92 3.087 -17.899 2.583 1.00 0.00 C ATOM 0 H ALA A 92 2.136 -18.096 0.377 1.00 0.00 H new ATOM 0 HA ALA A 92 1.101 -17.094 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.452 -17.614 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.778 -18.944 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.882 -17.767 1.850 1.00 0.00 H new ATOM 1350 N LYS A 93 3.101 -15.237 1.134 1.00 0.00 N ATOM 1351 CA LYS A 93 3.533 -13.830 0.949 1.00 0.00 C ATOM 1352 C LYS A 93 2.387 -13.024 0.338 1.00 0.00 C ATOM 1353 O LYS A 93 2.290 -11.826 0.510 1.00 0.00 O ATOM 1354 CB LYS A 93 4.712 -13.916 -0.016 1.00 0.00 C ATOM 1355 CG LYS A 93 6.015 -13.973 0.777 1.00 0.00 C ATOM 1356 CD LYS A 93 7.173 -14.312 -0.164 1.00 0.00 C ATOM 1357 CE LYS A 93 8.326 -14.914 0.642 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.061 -15.777 -0.324 1.00 0.00 N ATOM 0 H LYS A 93 3.473 -15.896 0.451 1.00 0.00 H new ATOM 0 HA LYS A 93 3.809 -13.339 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.617 -14.801 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.716 -13.052 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.198 -13.016 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.941 -14.723 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.842 -15.017 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.508 -13.414 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.973 -14.136 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.956 -15.494 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.868 -16.226 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.422 -16.512 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.407 -15.197 -1.114 1.00 0.00 H new ATOM 1372 N LYS A 94 1.508 -13.680 -0.371 1.00 0.00 N ATOM 1373 CA LYS A 94 0.360 -12.956 -0.984 1.00 0.00 C ATOM 1374 C LYS A 94 -0.652 -12.585 0.103 1.00 0.00 C ATOM 1375 O LYS A 94 -1.354 -11.598 0.004 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.252 -13.944 -1.977 1.00 0.00 C ATOM 1377 CG LYS A 94 0.110 -13.523 -3.403 1.00 0.00 C ATOM 1378 CD LYS A 94 -1.090 -13.749 -4.323 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.702 -14.714 -5.444 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.032 -16.068 -4.916 1.00 0.00 N ATOM 0 H LYS A 94 1.536 -14.684 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 94 0.662 -12.031 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.116 -14.951 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.335 -13.972 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.402 -12.473 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.966 -14.098 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.926 -14.154 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.422 -12.800 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.256 -14.501 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.357 -14.632 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.794 -16.786 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.485 -16.246 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.048 -16.118 -4.700 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.719 -13.367 1.146 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.673 -13.060 2.251 1.00 0.00 C ATOM 1396 C LYS A 95 -1.044 -12.043 3.205 1.00 0.00 C ATOM 1397 O LYS A 95 -1.726 -11.342 3.925 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.901 -14.400 2.957 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.752 -14.680 3.928 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.203 -14.367 5.356 1.00 0.00 C ATOM 1401 CE LYS A 95 0.024 -14.241 6.262 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.294 -15.069 7.459 1.00 0.00 N ATOM 0 H LYS A 95 -0.154 -14.206 1.281 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.608 -12.629 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.848 -14.380 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.970 -15.201 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.444 -15.723 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.115 -14.072 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.777 -13.441 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.860 -15.156 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.923 -14.600 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.206 -13.202 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.502 -15.032 8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.150 -14.699 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.456 -16.054 7.167 1.00 0.00 H new ATOM 1416 N GLU A 96 0.257 -11.957 3.204 1.00 0.00 N ATOM 1417 CA GLU A 96 0.952 -10.988 4.098 1.00 0.00 C ATOM 1418 C GLU A 96 1.212 -9.688 3.342 1.00 0.00 C ATOM 1419 O GLU A 96 1.008 -8.602 3.845 1.00 0.00 O ATOM 1420 CB GLU A 96 2.268 -11.677 4.458 1.00 0.00 C ATOM 1421 CG GLU A 96 3.177 -11.736 3.241 1.00 0.00 C ATOM 1422 CD GLU A 96 4.528 -12.330 3.650 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.565 -13.045 4.637 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.503 -12.057 2.968 1.00 0.00 O ATOM 0 H GLU A 96 0.873 -12.520 2.618 1.00 0.00 H new ATOM 0 HA GLU A 96 0.370 -10.731 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.762 -11.136 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.072 -12.685 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.720 -12.344 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.316 -10.737 2.827 1.00 0.00 H new ATOM 1431 N LEU A 97 1.668 -9.806 2.133 1.00 0.00 N ATOM 1432 CA LEU A 97 1.954 -8.596 1.312 1.00 0.00 C ATOM 1433 C LEU A 97 0.664 -8.023 0.726 1.00 0.00 C ATOM 1434 O LEU A 97 0.278 -6.910 1.026 1.00 0.00 O ATOM 1435 CB LEU A 97 2.872 -9.098 0.204 1.00 0.00 C ATOM 1436 CG LEU A 97 4.109 -9.743 0.830 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.196 -9.867 -0.227 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.617 -8.872 1.983 1.00 0.00 C ATOM 0 H LEU A 97 1.858 -10.695 1.670 1.00 0.00 H new ATOM 0 HA LEU A 97 2.407 -7.795 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.347 -9.821 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.166 -8.272 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 97 3.851 -10.731 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.081 -10.326 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.836 -10.487 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.451 -8.877 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.499 -9.334 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.877 -7.883 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.837 -8.778 2.739 1.00 0.00 H new ATOM 1450 N THR A 98 -0.002 -8.759 -0.111 1.00 0.00 N ATOM 1451 CA THR A 98 -1.259 -8.231 -0.717 1.00 0.00 C ATOM 1452 C THR A 98 -2.470 -8.589 0.135 1.00 0.00 C ATOM 1453 O THR A 98 -3.499 -7.945 0.066 1.00 0.00 O ATOM 1454 CB THR A 98 -1.359 -8.902 -2.081 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.191 -10.305 -1.929 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.268 -8.351 -2.999 1.00 0.00 C ATOM 0 H THR A 98 0.264 -9.699 -0.404 1.00 0.00 H new ATOM 0 HA THR A 98 -1.240 -7.144 -0.791 1.00 0.00 H new ATOM 0 HB THR A 98 -2.336 -8.699 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.476 -10.573 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.338 -8.830 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.397 -7.275 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.711 -8.555 -2.564 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.367 -9.603 0.938 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.523 -9.980 1.785 1.00 0.00 C ATOM 1466 C GLY A 99 -4.094 -8.720 2.422 1.00 0.00 C ATOM 1467 O GLY A 99 -3.388 -7.941 3.023 1.00 0.00 O ATOM 0 H GLY A 99 -1.536 -10.185 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.284 -10.478 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.212 -10.685 2.556 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.363 -8.501 2.290 1.00 0.00 N ATOM 1472 CA CYS A 100 -5.955 -7.283 2.903 1.00 0.00 C ATOM 1473 C CYS A 100 -6.146 -7.513 4.392 1.00 0.00 C ATOM 1474 O CYS A 100 -5.548 -6.861 5.214 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.326 -7.068 2.256 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.466 -7.977 0.689 1.00 0.00 S ATOM 0 H CYS A 100 -6.016 -9.104 1.789 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.307 -6.420 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.109 -7.396 2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.483 -6.004 2.077 1.00 0.00 H new ATOM 1481 N LYS A 101 -6.981 -8.438 4.745 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.212 -8.704 6.188 1.00 0.00 C ATOM 1483 C LYS A 101 -6.375 -9.900 6.649 1.00 0.00 C ATOM 1484 O LYS A 101 -6.521 -11.000 6.154 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.705 -9.012 6.305 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.514 -7.864 5.700 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.891 -8.377 5.275 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.980 -7.555 5.968 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.254 -8.258 5.652 1.00 0.00 N ATOM 0 H LYS A 101 -7.514 -9.022 4.101 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.924 -7.859 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.936 -9.944 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.977 -9.150 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.623 -7.059 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.988 -7.448 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.999 -8.304 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.995 -9.430 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.813 -7.506 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.994 -6.529 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.048 -7.752 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.390 -8.283 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.215 -9.230 6.020 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.500 -9.695 7.595 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.657 -10.820 8.088 1.00 0.00 C ATOM 1505 C GLY A 102 -3.245 -10.696 7.513 1.00 0.00 C ATOM 1506 O GLY A 102 -2.347 -11.425 7.885 1.00 0.00 O ATOM 0 H GLY A 102 -5.333 -8.797 8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.619 -10.808 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.097 -11.773 7.795 1.00 0.00 H new ATOM 1510 N SER A 103 -3.039 -9.779 6.607 1.00 0.00 N ATOM 1511 CA SER A 103 -1.684 -9.613 6.009 1.00 0.00 C ATOM 1512 C SER A 103 -0.794 -8.769 6.923 1.00 0.00 C ATOM 1513 O SER A 103 -1.001 -8.691 8.117 1.00 0.00 O ATOM 1514 CB SER A 103 -1.919 -8.875 4.696 1.00 0.00 C ATOM 1515 OG SER A 103 -2.464 -7.592 4.977 1.00 0.00 O ATOM 0 H SER A 103 -3.750 -9.138 6.255 1.00 0.00 H new ATOM 0 HA SER A 103 -1.185 -10.571 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.982 -8.774 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.600 -9.443 4.062 1.00 0.00 H new ATOM 0 HG SER A 103 -2.736 -7.162 4.140 1.00 0.00 H new ATOM 1521 N LYS A 104 0.189 -8.130 6.355 1.00 0.00 N ATOM 1522 CA LYS A 104 1.100 -7.275 7.156 1.00 0.00 C ATOM 1523 C LYS A 104 0.703 -5.816 6.978 1.00 0.00 C ATOM 1524 O LYS A 104 0.981 -4.969 7.803 1.00 0.00 O ATOM 1525 CB LYS A 104 2.470 -7.512 6.542 1.00 0.00 C ATOM 1526 CG LYS A 104 2.760 -9.014 6.492 1.00 0.00 C ATOM 1527 CD LYS A 104 3.720 -9.387 7.623 1.00 0.00 C ATOM 1528 CE LYS A 104 4.041 -10.881 7.546 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.872 -11.157 8.752 1.00 0.00 N ATOM 0 H LYS A 104 0.401 -8.166 5.358 1.00 0.00 H new ATOM 0 HA LYS A 104 1.073 -7.502 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.507 -7.091 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.235 -7.003 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.832 -9.578 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.196 -9.279 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.637 -8.802 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.272 -9.149 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.131 -11.481 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.581 -11.122 6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.133 -12.164 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.734 -10.576 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.329 -10.924 9.608 1.00 0.00 H new ATOM 1543 N CYS A 105 0.067 -5.528 5.883 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.351 -4.135 5.592 1.00 0.00 C ATOM 1545 C CYS A 105 -1.623 -3.784 6.372 1.00 0.00 C ATOM 1546 O CYS A 105 -1.900 -2.633 6.639 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.617 -4.143 4.088 1.00 0.00 C ATOM 1548 SG CYS A 105 -0.165 -2.545 3.374 1.00 0.00 S ATOM 0 H CYS A 105 -0.185 -6.209 5.167 1.00 0.00 H new ATOM 0 HA CYS A 105 0.396 -3.395 5.881 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.043 -4.939 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.670 -4.352 3.897 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.395 -4.768 6.746 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.646 -4.487 7.513 1.00 0.00 C ATOM 1555 C HIS A 106 -3.638 -5.258 8.836 1.00 0.00 C ATOM 1556 O HIS A 106 -4.320 -6.252 8.989 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.780 -4.975 6.614 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.223 -3.853 5.717 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.279 -2.543 6.163 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.580 -3.815 4.385 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.643 -1.773 5.125 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.831 -2.490 4.015 1.00 0.00 N ATOM 0 H HIS A 106 -2.215 -5.754 6.555 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.750 -3.431 7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.446 -5.823 6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.616 -5.322 7.221 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.080 -2.221 7.110 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.654 -4.672 3.732 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.769 -0.702 5.181 1.00 0.00 H new ATOM 1570 N SER A 107 -2.871 -4.809 9.791 1.00 0.00 N ATOM 1571 CA SER A 107 -2.820 -5.518 11.102 1.00 0.00 C ATOM 1572 C SER A 107 -3.701 -4.798 12.127 1.00 0.00 C ATOM 1573 O SER A 107 -4.334 -3.824 11.755 1.00 0.00 O ATOM 1574 CB SER A 107 -1.353 -5.462 11.524 1.00 0.00 C ATOM 1575 OG SER A 107 -1.253 -5.765 12.910 1.00 0.00 O ATOM 1576 OXT SER A 107 -3.727 -5.234 13.267 1.00 0.00 O ATOM 0 H SER A 107 -2.278 -3.982 9.721 1.00 0.00 H new ATOM 0 HA SER A 107 -3.186 -6.542 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.767 -6.173 10.941 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.943 -4.472 11.325 1.00 0.00 H new ATOM 0 HG SER A 107 -2.136 -6.012 13.255 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.410 6.698 3.294 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.829 8.107 4.962 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.480 9.060 4.532 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.984 5.243 1.673 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.345 4.329 2.140 1.00 0.00 C HETATM 1588 NA HEC A 201 9.192 8.251 4.429 1.00 0.00 N HETATM 1589 C1A HEC A 201 8.047 8.674 5.066 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.289 9.716 5.996 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.589 9.982 5.939 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.158 9.105 4.920 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.239 10.876 6.970 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.270 10.343 6.930 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.584 11.528 6.256 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.166 12.834 6.800 1.00 0.00 C HETATM 1597 O1A HEC A 201 7.007 13.849 6.142 1.00 0.00 O HETATM 1598 O2A HEC A 201 7.759 12.796 7.865 1.00 0.00 O HETATM 1599 NB HEC A 201 11.298 7.071 3.130 1.00 0.00 N HETATM 1600 C1B HEC A 201 12.016 8.102 3.699 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.412 8.039 3.321 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.547 6.970 2.511 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.242 6.375 2.402 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.522 8.978 3.757 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.818 6.482 1.834 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.835 5.908 2.822 1.00 0.00 C HETATM 1607 NC HEC A 201 9.626 5.123 2.184 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.766 4.647 1.582 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.506 3.473 0.786 1.00 0.00 C HETATM 1610 C3C HEC A 201 9.190 3.248 0.892 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.657 4.254 1.767 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.509 2.656 -0.011 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.377 2.188 0.180 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.972 0.784 0.297 1.00 0.00 C HETATM 1615 ND HEC A 201 7.521 6.326 3.488 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.821 5.280 2.968 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.473 5.278 3.441 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.308 6.368 4.205 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.582 7.004 4.225 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.489 4.171 3.188 1.00 0.00 C HETATM 1621 CAD HEC A 201 4.078 6.853 4.950 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.474 5.731 5.794 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.494 4.921 4.945 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.091 5.418 3.907 1.00 0.00 O HETATM 1625 O2D HEC A 201 2.163 3.818 5.347 1.00 0.00 O HETATM 0 HMD3 HEC A 201 4.345 4.050 2.114 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.871 3.241 3.610 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.536 4.417 3.656 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.980 3.290 -0.762 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 12.272 2.261 0.660 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.996 1.830 -0.503 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.285 9.994 3.440 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.617 8.949 4.842 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.462 8.666 3.302 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.774 11.862 6.942 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.109 10.442 7.961 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.303 10.970 6.751 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 4.264 5.083 6.174 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 2.961 6.149 6.660 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.972 0.775 -0.137 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 9.030 0.500 1.348 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 8.339 0.075 -0.236 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 16.116 6.676 3.542 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.393 5.062 3.348 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.721 5.576 2.281 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.725 11.477 5.176 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.510 11.492 6.439 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.344 7.693 5.591 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.337 7.217 4.238 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.526 9.600 7.217 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.762 10.672 7.845 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.665 3.573 1.747 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.813 4.790 1.129 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.147 9.835 4.910 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.999 8.564 5.502 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.991 8.445 -5.354 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.794 8.024 -8.468 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.911 5.127 -4.954 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.261 8.797 -2.256 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.811 11.769 -5.727 1.00 0.00 C HETATM 1663 NA HEC A 202 2.463 6.952 -6.436 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.860 6.961 -7.655 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.288 5.700 -7.970 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.649 4.864 -7.010 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.401 5.636 -6.083 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.265 3.407 -6.905 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.435 5.328 -9.149 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.645 6.358 -9.479 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.277 6.017 -10.830 1.00 0.00 C HETATM 1672 O1A HEC A 202 -1.871 6.902 -11.425 1.00 0.00 O HETATM 1673 O2A HEC A 202 -1.159 4.876 -11.246 1.00 0.00 O HETATM 1674 NB HEC A 202 3.551 7.243 -3.980 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.463 5.870 -3.979 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.855 5.289 -2.745 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.192 6.295 -1.952 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.027 7.523 -2.716 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.859 3.816 -2.378 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.619 6.052 -0.527 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.136 6.060 -0.363 1.00 0.00 C HETATM 1682 NC HEC A 202 3.477 9.945 -4.250 1.00 0.00 N HETATM 1683 C1C HEC A 202 4.028 9.940 -2.988 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.223 11.288 -2.504 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.713 12.098 -3.468 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.306 11.265 -4.548 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.874 11.702 -1.195 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.432 13.585 -3.456 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.078 14.352 -2.304 1.00 0.00 C HETATM 1690 ND HEC A 202 2.420 9.632 -6.782 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.407 11.005 -6.800 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.134 11.496 -8.141 1.00 0.00 C HETATM 1693 C3D HEC A 202 2.001 10.407 -8.926 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.093 9.284 -8.066 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.037 12.934 -8.609 1.00 0.00 C HETATM 1696 CAD HEC A 202 2.019 10.283 -10.437 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.342 10.810 -10.989 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.158 11.232 -12.448 1.00 0.00 C HETATM 1699 O1D HEC A 202 2.264 10.704 -13.088 1.00 0.00 O HETATM 1700 O2D HEC A 202 3.916 12.074 -12.900 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.239 13.440 -8.066 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.983 13.442 -8.421 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.820 12.955 -9.677 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.316 11.277 -0.361 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.901 11.337 -1.168 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.873 12.789 -1.116 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.847 3.418 -2.458 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.517 3.274 -3.057 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.215 3.697 -1.355 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.180 3.320 -6.848 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.627 2.871 -7.783 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.711 2.977 -6.008 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.683 11.658 -10.395 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.110 10.040 -10.917 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.715 13.957 -1.355 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.161 14.239 -2.353 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 3.820 15.408 -2.380 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.573 5.277 -0.982 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.530 7.028 -0.671 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.390 5.880 0.682 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.407 6.364 -8.700 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.212 7.358 -9.510 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.884 9.241 -10.726 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.188 10.843 -10.866 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.075 5.195 -10.021 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.041 4.367 -8.953 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.732 12.852 -5.820 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.657 8.910 -1.247 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.876 4.046 -4.818 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.485 7.868 -9.502 1.00 0.00 H new HETATM 0 HAC HEC A 202 2.816 14.072 -4.212 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.917 -3.403 2.051 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.871 -5.996 3.985 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.698 -2.453 4.386 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.033 -0.741 0.173 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.262 -4.243 -0.232 1.00 0.00 C HETATM 1738 NA HEC A 203 5.401 -4.072 3.803 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.884 -5.173 4.466 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.193 -5.362 5.715 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.287 -4.386 5.818 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.428 -3.578 4.640 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.289 -4.235 6.950 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.374 -6.454 6.744 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.855 -6.742 6.999 1.00 0.00 C HETATM 1746 CGA HEC A 203 7.036 -7.249 8.432 1.00 0.00 C HETATM 1747 O1A HEC A 203 7.916 -8.067 8.642 1.00 0.00 O HETATM 1748 O2A HEC A 203 6.292 -6.810 9.294 1.00 0.00 O HETATM 1749 NB HEC A 203 4.694 -1.906 2.265 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.839 -1.659 3.303 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.019 -0.502 3.082 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.361 -0.055 1.880 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.417 -0.898 1.383 1.00 0.00 C HETATM 1754 CMB HEC A 203 1.973 0.082 4.017 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.691 1.063 1.131 1.00 0.00 C HETATM 1756 CBB HEC A 203 2.980 2.431 1.757 1.00 0.00 C HETATM 1757 NC HEC A 203 6.497 -2.672 0.347 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.009 -1.567 -0.313 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.650 -1.389 -1.589 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.540 -2.391 -1.700 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.462 -3.163 -0.496 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.374 -0.294 -2.607 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.424 -2.682 -2.887 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.976 -1.369 -3.443 1.00 0.00 C HETATM 1765 ND HEC A 203 7.243 -4.831 1.890 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.168 -5.025 0.889 1.00 0.00 C HETATM 1767 C2D HEC A 203 9.042 -6.135 1.186 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.630 -6.639 2.364 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.516 -5.832 2.790 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.230 -6.610 0.367 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.242 -7.806 3.122 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.653 -9.139 2.656 1.00 0.00 C HETATM 1773 CGD HEC A 203 7.742 -9.704 3.747 1.00 0.00 C HETATM 1774 O1D HEC A 203 7.385 -10.866 3.650 1.00 0.00 O HETATM 1775 O2D HEC A 203 7.418 -8.964 4.662 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.894 -6.893 -0.630 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.962 -5.807 0.289 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.687 -7.471 0.854 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.332 -0.344 -2.922 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.570 0.679 -2.157 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.022 -0.431 -3.473 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.199 -0.662 4.207 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.444 0.364 4.959 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.525 0.963 3.557 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.652 -5.118 6.994 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.823 -4.126 7.894 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.674 -3.352 6.777 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 8.089 -8.997 1.734 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.454 -9.845 2.434 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.150 -0.729 -3.753 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.557 -0.863 -2.672 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.615 -1.577 -4.301 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 2.616 2.445 2.784 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.054 2.615 1.750 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 2.476 3.208 1.182 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 7.219 -7.485 6.290 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.444 -5.838 6.844 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.322 -7.812 2.975 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 9.066 -7.681 4.190 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.893 -6.160 7.677 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.879 -7.363 6.403 1.00 0.00 H new HETATM 0 HHD HEC A 203 9.027 -4.498 -0.965 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.725 0.101 -0.448 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.939 -2.173 5.117 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.163 -6.845 4.602 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.871 -1.607 2.046 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.710 1.359 3.437 1.00 0.00 C HETATM 1810 CHB HEC A 204 -9.087 -2.224 1.385 1.00 0.00 C HETATM 1811 CHC HEC A 204 -4.990 -4.687 0.960 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.631 -0.795 2.349 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.522 -0.687 2.413 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.707 0.528 3.037 1.00 0.00 C HETATM 1815 C2A HEC A 204 -9.083 0.916 3.089 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.774 -0.069 2.475 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.798 -1.065 2.066 1.00 0.00 C HETATM 1818 CMA HEC A 204 -11.273 -0.095 2.220 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.602 2.209 3.708 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.356 3.044 2.674 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.513 4.476 3.190 1.00 0.00 C HETATM 1822 O1A HEC A 204 -11.011 4.636 4.292 1.00 0.00 O HETATM 1823 O2A HEC A 204 -10.131 5.388 2.476 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.820 -3.103 1.313 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.159 -3.167 1.002 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.463 -4.356 0.243 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.309 -5.049 0.174 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.304 -4.283 0.842 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.805 -4.747 -0.353 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.109 -6.479 -0.256 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.778 -6.571 -1.741 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.197 -2.523 1.697 1.00 0.00 N HETATM 1833 C1C HEC A 204 -3.981 -3.843 1.361 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.559 -4.160 1.351 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.931 -2.982 1.587 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.940 -2.017 1.838 1.00 0.00 C HETATM 1837 CMC HEC A 204 -1.929 -5.538 1.210 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.471 -2.569 1.590 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.574 -3.603 1.176 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.897 -0.059 2.696 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.539 0.132 2.747 1.00 0.00 C HETATM 1842 C2D HEC A 204 -3.188 1.403 3.327 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.351 1.999 3.636 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.392 1.093 3.255 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.790 1.952 3.556 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.545 3.369 4.251 1.00 0.00 C HETATM 1847 CBD HEC A 204 -4.037 3.391 5.691 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.748 4.500 6.463 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.412 5.654 6.249 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.617 4.180 7.258 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.240 1.283 4.218 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.268 2.028 2.602 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.857 2.940 4.012 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.261 -6.176 2.029 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.230 -5.980 0.261 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -0.843 -5.446 1.239 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.544 -4.836 0.443 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.125 -3.983 -1.062 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.710 -5.703 -0.868 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.805 -0.043 3.170 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.552 0.758 1.601 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.539 -1.019 1.706 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.219 2.427 6.167 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.960 3.556 5.706 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.524 -4.460 1.848 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.377 -3.930 0.155 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.567 -3.158 1.229 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.596 -6.146 -2.323 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.862 -6.017 -1.944 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.640 -7.616 -2.019 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.816 3.045 1.727 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -11.335 2.606 2.482 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -4.014 4.116 3.661 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.601 3.637 4.229 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.261 1.977 4.545 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.768 2.785 4.109 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.575 -0.541 2.446 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.740 -5.722 0.725 1.00 0.00 H new HETATM 0 HHB HEC A 204 -10.130 -2.411 1.129 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.984 2.291 3.931 1.00 0.00 H new