USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 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 HAC : A 202 HEC CAC : A 51 CYS SG :(H bumps) 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 66:sc= 0.199 USER MOD Set 1.2: A 78 SER OG : rot 167:sc= -0.204! USER MOD Set 2.1: A 11 MET CE :methyl -122:sc= -8.22! (180deg=-7.98!) USER MOD Set 2.2: A 65 TYR OH : rot 134:sc= -5.16! USER MOD Set 3.1: A 44 GLN : amide:sc= -2.32 K(o=-1.1,f=-5.7!) USER MOD Set 3.2: A 48 THR OG1 : rot 138:sc= 1.21 USER MOD Set 4.1: A 21 ASN : amide:sc= -7.89! C(o=-11!,f=-11!) USER MOD Set 4.2: A 23 SER OG : rot 178:sc= -1.53! USER MOD Set 4.3: A 24 THR OG1 : rot 85:sc= -1.19! USER MOD Single : A 1 ALA N :NH3+ -118:sc= -0.746 (180deg=-3.17!) 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 13 LYS NZ :NH3+ -153:sc= -0.0693 (180deg=-0.838) USER MOD Single : A 14 THR OG1 : rot 48:sc= -4.25! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.31 X(o=-0.31,f=0) 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= -0.104 K(o=-0.1,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 43:sc= 0.994 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.74! C(o=-5.7!,f=-17!) USER MOD Single : A 55 MET CE :methyl -179:sc= -0.67 (180deg=-0.677) 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+ -132:sc= -0.0856 (180deg=-0.789) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -15:sc= -0.0368 USER MOD Single : A 67 HIS : no HE2:sc= -17.3! C(o=-17!,f=-28!) USER MOD Single : A 69 MET CE :methyl -172:sc= -2.1 (180deg=-2.23) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.717 (180deg=0.717) USER MOD Single : A 77 LYS NZ :NH3+ -118:sc= -2.02! (180deg=-3.88!) USER MOD Single : A 86 THR OG1 : rot 90:sc= 0.593 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0.369 (180deg=0.345) 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 20:sc= 0.884 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -159:sc= 0.584 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.764 13.732 1.103 1.00 0.00 N ATOM 2 CA ALA A 1 20.175 12.891 2.265 1.00 0.00 C ATOM 3 C ALA A 1 19.073 12.883 3.329 1.00 0.00 C ATOM 4 O ALA A 1 19.263 13.377 4.423 1.00 0.00 O ATOM 5 CB ALA A 1 21.440 13.555 2.810 1.00 0.00 C ATOM 0 H1 ALA A 1 19.710 13.141 0.249 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.832 14.153 1.292 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.463 14.488 0.958 1.00 0.00 H new ATOM 0 HA ALA A 1 20.350 11.853 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.805 12.993 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 1 22.206 13.570 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.212 14.576 3.115 1.00 0.00 H new ATOM 13 N PRO A 2 17.954 12.318 2.968 1.00 0.00 N ATOM 14 CA PRO A 2 16.803 12.239 3.900 1.00 0.00 C ATOM 15 C PRO A 2 17.065 11.209 4.997 1.00 0.00 C ATOM 16 O PRO A 2 17.724 10.210 4.781 1.00 0.00 O ATOM 17 CB PRO A 2 15.649 11.781 3.015 1.00 0.00 C ATOM 18 CG PRO A 2 16.299 11.074 1.867 1.00 0.00 C ATOM 19 CD PRO A 2 17.656 11.702 1.670 1.00 0.00 C ATOM 0 HA PRO A 2 16.607 13.185 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.975 11.117 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.055 12.628 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.394 10.008 2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.696 11.170 0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.405 10.957 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.641 12.443 0.871 1.00 0.00 H new ATOM 27 N LYS A 3 16.539 11.432 6.167 1.00 0.00 N ATOM 28 CA LYS A 3 16.743 10.452 7.265 1.00 0.00 C ATOM 29 C LYS A 3 15.468 9.649 7.479 1.00 0.00 C ATOM 30 O LYS A 3 14.632 9.990 8.292 1.00 0.00 O ATOM 31 CB LYS A 3 17.046 11.273 8.504 1.00 0.00 C ATOM 32 CG LYS A 3 18.060 12.369 8.167 1.00 0.00 C ATOM 33 CD LYS A 3 18.329 13.216 9.411 1.00 0.00 C ATOM 34 CE LYS A 3 19.789 13.677 9.410 1.00 0.00 C ATOM 35 NZ LYS A 3 19.965 14.395 10.703 1.00 0.00 N ATOM 0 H LYS A 3 15.978 12.249 6.409 1.00 0.00 H new ATOM 0 HA LYS A 3 17.548 9.753 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.129 11.720 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.441 10.629 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.988 11.923 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.678 12.997 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.664 14.080 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.120 12.637 10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.471 12.830 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.996 14.331 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.943 14.742 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.308 15.200 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.768 13.745 11.491 1.00 0.00 H new ATOM 49 N ALA A 4 15.320 8.588 6.755 1.00 0.00 N ATOM 50 CA ALA A 4 14.101 7.746 6.904 1.00 0.00 C ATOM 51 C ALA A 4 13.724 7.643 8.383 1.00 0.00 C ATOM 52 O ALA A 4 14.579 7.479 9.231 1.00 0.00 O ATOM 53 CB ALA A 4 14.493 6.375 6.351 1.00 0.00 C ATOM 0 H ALA A 4 15.991 8.260 6.060 1.00 0.00 H new ATOM 0 HA ALA A 4 13.240 8.160 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.644 5.696 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.786 6.475 5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.329 5.976 6.926 1.00 0.00 H new ATOM 59 N PRO A 5 12.452 7.754 8.644 1.00 0.00 N ATOM 60 CA PRO A 5 11.959 7.685 10.033 1.00 0.00 C ATOM 61 C PRO A 5 11.998 6.252 10.555 1.00 0.00 C ATOM 62 O PRO A 5 12.068 5.301 9.800 1.00 0.00 O ATOM 63 CB PRO A 5 10.533 8.216 9.942 1.00 0.00 C ATOM 64 CG PRO A 5 10.114 8.006 8.518 1.00 0.00 C ATOM 65 CD PRO A 5 11.367 7.948 7.676 1.00 0.00 C ATOM 0 HA PRO A 5 12.568 8.261 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.873 7.685 10.627 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.490 9.271 10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.543 7.083 8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.467 8.818 8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.325 7.129 6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.504 8.866 7.105 1.00 0.00 H new ATOM 73 N ALA A 6 11.968 6.095 11.847 1.00 0.00 N ATOM 74 CA ALA A 6 12.018 4.734 12.439 1.00 0.00 C ATOM 75 C ALA A 6 10.910 3.861 11.861 1.00 0.00 C ATOM 76 O ALA A 6 10.081 4.308 11.092 1.00 0.00 O ATOM 77 CB ALA A 6 11.802 4.947 13.937 1.00 0.00 C ATOM 0 H ALA A 6 11.911 6.857 12.522 1.00 0.00 H new ATOM 0 HA ALA A 6 12.961 4.229 12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.825 3.985 14.448 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.592 5.587 14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.835 5.422 14.101 1.00 0.00 H new ATOM 83 N ASP A 7 10.891 2.620 12.237 1.00 0.00 N ATOM 84 CA ASP A 7 9.845 1.700 11.733 1.00 0.00 C ATOM 85 C ASP A 7 8.601 1.818 12.612 1.00 0.00 C ATOM 86 O ASP A 7 8.659 2.290 13.730 1.00 0.00 O ATOM 87 CB ASP A 7 10.458 0.307 11.859 1.00 0.00 C ATOM 88 CG ASP A 7 11.906 0.336 11.364 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.130 0.847 10.278 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.766 -0.153 12.078 1.00 0.00 O ATOM 0 H ASP A 7 11.563 2.199 12.879 1.00 0.00 H new ATOM 0 HA ASP A 7 9.544 1.920 10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.425 -0.023 12.897 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.879 -0.410 11.278 1.00 0.00 H new ATOM 95 N GLY A 8 7.482 1.389 12.117 1.00 0.00 N ATOM 96 CA GLY A 8 6.232 1.468 12.921 1.00 0.00 C ATOM 97 C GLY A 8 5.421 2.696 12.509 1.00 0.00 C ATOM 98 O GLY A 8 4.530 3.123 13.215 1.00 0.00 O ATOM 0 H GLY A 8 7.375 0.985 11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.639 0.565 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.475 1.522 13.982 1.00 0.00 H new ATOM 102 N LEU A 9 5.706 3.261 11.368 1.00 0.00 N ATOM 103 CA LEU A 9 4.926 4.449 10.927 1.00 0.00 C ATOM 104 C LEU A 9 3.478 4.040 10.726 1.00 0.00 C ATOM 105 O LEU A 9 3.189 3.055 10.084 1.00 0.00 O ATOM 106 CB LEU A 9 5.538 4.888 9.600 1.00 0.00 C ATOM 107 CG LEU A 9 5.903 6.369 9.680 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.175 6.613 8.869 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.767 7.224 9.107 1.00 0.00 C ATOM 0 H LEU A 9 6.438 2.954 10.728 1.00 0.00 H new ATOM 0 HA LEU A 9 4.956 5.257 11.658 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.425 4.294 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.832 4.719 8.787 1.00 0.00 H new ATOM 0 HG LEU A 9 6.064 6.644 10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.443 7.668 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.988 6.012 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.003 6.333 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.038 8.278 9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.598 6.954 8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.856 7.049 9.679 1.00 0.00 H new ATOM 121 N LYS A 10 2.566 4.776 11.275 1.00 0.00 N ATOM 122 CA LYS A 10 1.136 4.399 11.114 1.00 0.00 C ATOM 123 C LYS A 10 0.444 5.284 10.081 1.00 0.00 C ATOM 124 O LYS A 10 0.206 6.455 10.303 1.00 0.00 O ATOM 125 CB LYS A 10 0.502 4.601 12.485 1.00 0.00 C ATOM 126 CG LYS A 10 0.382 3.251 13.195 1.00 0.00 C ATOM 127 CD LYS A 10 -0.681 3.343 14.291 1.00 0.00 C ATOM 128 CE LYS A 10 -0.945 1.950 14.866 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.963 2.140 16.342 1.00 0.00 N ATOM 0 H LYS A 10 2.741 5.617 11.825 1.00 0.00 H new ATOM 0 HA LYS A 10 1.038 3.372 10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.107 5.285 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.482 5.057 12.379 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.115 2.474 12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.342 2.969 13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.347 4.016 15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.602 3.761 13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.893 1.548 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.168 1.246 14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.139 1.227 16.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.045 2.517 16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.717 2.809 16.597 1.00 0.00 H new ATOM 143 N MET A 11 0.090 4.718 8.966 1.00 0.00 N ATOM 144 CA MET A 11 -0.624 5.503 7.924 1.00 0.00 C ATOM 145 C MET A 11 -2.115 5.449 8.234 1.00 0.00 C ATOM 146 O MET A 11 -2.794 4.512 7.877 1.00 0.00 O ATOM 147 CB MET A 11 -0.321 4.793 6.601 1.00 0.00 C ATOM 148 CG MET A 11 0.369 5.760 5.634 1.00 0.00 C ATOM 149 SD MET A 11 -0.519 7.337 5.607 1.00 0.00 S ATOM 150 CE MET A 11 -0.011 7.853 3.949 1.00 0.00 C ATOM 0 H MET A 11 0.264 3.741 8.729 1.00 0.00 H new ATOM 0 HA MET A 11 -0.318 6.548 7.883 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.317 3.928 6.781 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.245 4.421 6.159 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.403 5.919 5.940 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.396 5.330 4.633 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.500 8.814 4.008 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.664 7.108 3.527 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.890 7.948 3.312 1.00 0.00 H new ATOM 160 N ASP A 12 -2.623 6.428 8.925 1.00 0.00 N ATOM 161 CA ASP A 12 -4.073 6.401 9.283 1.00 0.00 C ATOM 162 C ASP A 12 -4.879 7.337 8.391 1.00 0.00 C ATOM 163 O ASP A 12 -5.943 7.798 8.753 1.00 0.00 O ATOM 164 CB ASP A 12 -4.137 6.861 10.734 1.00 0.00 C ATOM 165 CG ASP A 12 -3.181 8.035 10.953 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.063 8.853 10.055 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.582 8.096 12.014 1.00 0.00 O ATOM 0 H ASP A 12 -2.105 7.241 9.257 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.498 5.407 9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.155 7.159 10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.873 6.037 11.397 1.00 0.00 H new ATOM 172 N LYS A 13 -4.389 7.607 7.226 1.00 0.00 N ATOM 173 CA LYS A 13 -5.130 8.498 6.297 1.00 0.00 C ATOM 174 C LYS A 13 -6.565 7.997 6.134 1.00 0.00 C ATOM 175 O LYS A 13 -7.486 8.760 5.922 1.00 0.00 O ATOM 176 CB LYS A 13 -4.371 8.383 4.984 1.00 0.00 C ATOM 177 CG LYS A 13 -3.038 9.121 5.108 1.00 0.00 C ATOM 178 CD LYS A 13 -3.295 10.622 5.255 1.00 0.00 C ATOM 179 CE LYS A 13 -1.959 11.358 5.374 1.00 0.00 C ATOM 180 NZ LYS A 13 -1.412 10.949 6.699 1.00 0.00 N ATOM 0 H LYS A 13 -3.502 7.249 6.870 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.191 9.527 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.199 7.335 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.961 8.807 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.484 8.750 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.422 8.931 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.851 10.993 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.907 10.813 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.283 11.082 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.097 12.438 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.788 11.697 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.195 10.797 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.871 10.067 6.594 1.00 0.00 H new ATOM 194 N THR A 14 -6.754 6.713 6.232 1.00 0.00 N ATOM 195 CA THR A 14 -8.125 6.136 6.086 1.00 0.00 C ATOM 196 C THR A 14 -8.557 5.450 7.385 1.00 0.00 C ATOM 197 O THR A 14 -7.810 5.381 8.341 1.00 0.00 O ATOM 198 CB THR A 14 -8.015 5.112 4.955 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.890 4.277 5.180 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.856 5.837 3.620 1.00 0.00 C ATOM 0 H THR A 14 -6.016 6.031 6.408 1.00 0.00 H new ATOM 0 HA THR A 14 -8.867 6.904 5.869 1.00 0.00 H new ATOM 0 HB THR A 14 -8.919 4.503 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.896 3.963 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.778 5.105 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.723 6.475 3.447 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.954 6.448 3.643 1.00 0.00 H new ATOM 208 N LYS A 15 -9.758 4.937 7.424 1.00 0.00 N ATOM 209 CA LYS A 15 -10.238 4.252 8.658 1.00 0.00 C ATOM 210 C LYS A 15 -9.378 3.019 8.938 1.00 0.00 C ATOM 211 O LYS A 15 -9.292 2.548 10.055 1.00 0.00 O ATOM 212 CB LYS A 15 -11.679 3.847 8.352 1.00 0.00 C ATOM 213 CG LYS A 15 -12.636 4.811 9.054 1.00 0.00 C ATOM 214 CD LYS A 15 -13.602 5.409 8.030 1.00 0.00 C ATOM 215 CE LYS A 15 -14.362 6.575 8.665 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.422 6.926 7.680 1.00 0.00 N ATOM 0 H LYS A 15 -10.427 4.963 6.654 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.177 4.890 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.853 3.864 7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.861 2.826 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.192 4.286 9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.073 5.605 9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.053 5.753 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.303 4.648 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.794 6.289 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.701 7.421 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.986 7.719 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.981 7.201 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.040 6.103 7.527 1.00 0.00 H new ATOM 230 N GLN A 16 -8.732 2.499 7.930 1.00 0.00 N ATOM 231 CA GLN A 16 -7.864 1.306 8.132 1.00 0.00 C ATOM 232 C GLN A 16 -6.397 1.739 8.121 1.00 0.00 C ATOM 233 O GLN A 16 -5.729 1.639 7.114 1.00 0.00 O ATOM 234 CB GLN A 16 -8.165 0.389 6.946 1.00 0.00 C ATOM 235 CG GLN A 16 -9.553 -0.231 7.117 1.00 0.00 C ATOM 236 CD GLN A 16 -9.547 -1.656 6.563 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.186 -2.535 7.108 1.00 0.00 O ATOM 238 NE2 GLN A 16 -8.847 -1.925 5.495 1.00 0.00 N ATOM 0 H GLN A 16 -8.769 2.851 6.973 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.049 0.805 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.120 0.955 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.411 -0.395 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.831 -0.240 8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.298 0.370 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.311 -1.188 5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.836 -2.873 5.118 1.00 0.00 H new ATOM 247 N PRO A 17 -5.953 2.222 9.250 1.00 0.00 N ATOM 248 CA PRO A 17 -4.555 2.702 9.382 1.00 0.00 C ATOM 249 C PRO A 17 -3.559 1.546 9.274 1.00 0.00 C ATOM 250 O PRO A 17 -3.644 0.566 9.988 1.00 0.00 O ATOM 251 CB PRO A 17 -4.522 3.325 10.778 1.00 0.00 C ATOM 252 CG PRO A 17 -5.630 2.651 11.518 1.00 0.00 C ATOM 253 CD PRO A 17 -6.702 2.363 10.502 1.00 0.00 C ATOM 0 HA PRO A 17 -4.274 3.403 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.561 3.157 11.264 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.673 4.404 10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.281 1.731 11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.011 3.290 12.315 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.253 1.454 10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.430 3.172 10.446 1.00 0.00 H new ATOM 261 N VAL A 18 -2.609 1.661 8.386 1.00 0.00 N ATOM 262 CA VAL A 18 -1.596 0.584 8.223 1.00 0.00 C ATOM 263 C VAL A 18 -0.232 1.079 8.704 1.00 0.00 C ATOM 264 O VAL A 18 0.191 2.172 8.382 1.00 0.00 O ATOM 265 CB VAL A 18 -1.567 0.302 6.724 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.310 -0.494 6.382 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.807 -0.508 6.334 1.00 0.00 C ATOM 0 H VAL A 18 -2.492 2.461 7.764 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.834 -0.309 8.801 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.561 1.244 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.288 -0.696 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.572 0.082 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.316 -1.437 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.788 -0.710 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.813 -1.451 6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.704 0.060 6.580 1.00 0.00 H new ATOM 277 N VAL A 19 0.461 0.287 9.472 1.00 0.00 N ATOM 278 CA VAL A 19 1.795 0.720 9.969 1.00 0.00 C ATOM 279 C VAL A 19 2.882 0.381 8.943 1.00 0.00 C ATOM 280 O VAL A 19 3.024 -0.755 8.535 1.00 0.00 O ATOM 281 CB VAL A 19 2.012 -0.075 11.256 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.417 0.201 11.794 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.975 0.349 12.299 1.00 0.00 C ATOM 0 H VAL A 19 0.162 -0.639 9.776 1.00 0.00 H new ATOM 0 HA VAL A 19 1.842 1.796 10.137 1.00 0.00 H new ATOM 0 HB VAL A 19 1.904 -1.140 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.573 -0.366 12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.156 -0.100 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.524 1.266 12.002 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.130 -0.218 13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.083 1.413 12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.027 0.154 11.916 1.00 0.00 H new ATOM 293 N PHE A 20 3.656 1.349 8.526 1.00 0.00 N ATOM 294 CA PHE A 20 4.732 1.054 7.536 1.00 0.00 C ATOM 295 C PHE A 20 6.086 0.974 8.236 1.00 0.00 C ATOM 296 O PHE A 20 6.578 1.947 8.772 1.00 0.00 O ATOM 297 CB PHE A 20 4.731 2.217 6.542 1.00 0.00 C ATOM 298 CG PHE A 20 5.814 1.972 5.519 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.744 0.848 4.692 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.892 2.859 5.405 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.749 0.609 3.749 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.896 2.618 4.461 1.00 0.00 C ATOM 303 CZ PHE A 20 7.825 1.494 3.633 1.00 0.00 C ATOM 0 H PHE A 20 3.590 2.322 8.825 1.00 0.00 H new ATOM 0 HA PHE A 20 4.558 0.100 7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.760 2.298 6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.906 3.159 7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.913 0.163 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.948 3.727 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.694 -0.260 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.727 3.302 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.601 1.309 2.904 1.00 0.00 H new ATOM 313 N ASN A 21 6.701 -0.175 8.231 1.00 0.00 N ATOM 314 CA ASN A 21 8.023 -0.312 8.886 1.00 0.00 C ATOM 315 C ASN A 21 9.132 -0.099 7.856 1.00 0.00 C ATOM 316 O ASN A 21 9.495 -1.003 7.129 1.00 0.00 O ATOM 317 CB ASN A 21 8.039 -1.744 9.408 1.00 0.00 C ATOM 318 CG ASN A 21 8.146 -1.742 10.933 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.056 -2.323 11.491 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.249 -1.108 11.636 1.00 0.00 N ATOM 0 H ASN A 21 6.341 -1.026 7.799 1.00 0.00 H new ATOM 0 HA ASN A 21 8.184 0.416 9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.131 -2.263 9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.879 -2.288 8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.311 -1.100 12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.485 -0.620 11.168 1.00 0.00 H new ATOM 327 N HIS A 22 9.676 1.084 7.784 1.00 0.00 N ATOM 328 CA HIS A 22 10.759 1.336 6.793 1.00 0.00 C ATOM 329 C HIS A 22 11.813 0.233 6.895 1.00 0.00 C ATOM 330 O HIS A 22 12.409 -0.162 5.914 1.00 0.00 O ATOM 331 CB HIS A 22 11.361 2.684 7.187 1.00 0.00 C ATOM 332 CG HIS A 22 10.577 3.809 6.561 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.771 4.647 7.316 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.503 4.280 5.270 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.261 5.575 6.487 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.677 5.399 5.232 1.00 0.00 N ATOM 0 H HIS A 22 9.420 1.883 8.365 1.00 0.00 H new ATOM 0 HA HIS A 22 10.390 1.345 5.767 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.357 2.789 8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.401 2.733 6.865 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.596 4.573 8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.008 3.848 4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.596 6.366 6.799 1.00 0.00 H new ATOM 344 N SER A 23 12.044 -0.274 8.078 1.00 0.00 N ATOM 345 CA SER A 23 13.056 -1.358 8.235 1.00 0.00 C ATOM 346 C SER A 23 12.795 -2.458 7.205 1.00 0.00 C ATOM 347 O SER A 23 13.706 -2.997 6.611 1.00 0.00 O ATOM 348 CB SER A 23 12.854 -1.890 9.653 1.00 0.00 C ATOM 349 OG SER A 23 11.465 -1.899 9.957 1.00 0.00 O ATOM 0 H SER A 23 11.578 0.015 8.938 1.00 0.00 H new ATOM 0 HA SER A 23 14.075 -1.004 8.080 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.263 -2.897 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.391 -1.266 10.368 1.00 0.00 H new ATOM 0 HG SER A 23 11.329 -2.270 10.854 1.00 0.00 H new ATOM 355 N THR A 24 11.551 -2.785 6.982 1.00 0.00 N ATOM 356 CA THR A 24 11.225 -3.838 5.981 1.00 0.00 C ATOM 357 C THR A 24 11.370 -3.268 4.571 1.00 0.00 C ATOM 358 O THR A 24 11.240 -3.968 3.587 1.00 0.00 O ATOM 359 CB THR A 24 9.770 -4.219 6.262 1.00 0.00 C ATOM 360 OG1 THR A 24 9.340 -3.592 7.462 1.00 0.00 O ATOM 361 CG2 THR A 24 9.657 -5.736 6.409 1.00 0.00 C ATOM 0 H THR A 24 10.747 -2.368 7.450 1.00 0.00 H new ATOM 0 HA THR A 24 11.887 -4.701 6.051 1.00 0.00 H new ATOM 0 HB THR A 24 9.142 -3.889 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.026 -2.685 7.263 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.620 -6.006 6.609 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.986 -6.216 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.285 -6.069 7.236 1.00 0.00 H new ATOM 369 N HIS A 25 11.627 -1.993 4.469 1.00 0.00 N ATOM 370 CA HIS A 25 11.768 -1.362 3.136 1.00 0.00 C ATOM 371 C HIS A 25 13.126 -0.668 3.010 1.00 0.00 C ATOM 372 O HIS A 25 13.505 -0.217 1.948 1.00 0.00 O ATOM 373 CB HIS A 25 10.635 -0.350 3.099 1.00 0.00 C ATOM 374 CG HIS A 25 9.342 -1.074 3.325 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.838 -1.306 4.595 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.453 -1.652 2.457 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.694 -1.997 4.457 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.416 -2.237 3.174 1.00 0.00 N ATOM 0 H HIS A 25 11.745 -1.361 5.260 1.00 0.00 H new ATOM 0 HA HIS A 25 11.720 -2.079 2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.782 0.411 3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.618 0.164 2.138 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.259 -1.007 5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.544 -1.653 1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.076 -2.318 5.282 1.00 0.00 H new ATOM 386 N LYS A 26 13.865 -0.582 4.083 1.00 0.00 N ATOM 387 CA LYS A 26 15.198 0.079 4.011 1.00 0.00 C ATOM 388 C LYS A 26 15.987 -0.489 2.832 1.00 0.00 C ATOM 389 O LYS A 26 16.881 0.141 2.304 1.00 0.00 O ATOM 390 CB LYS A 26 15.883 -0.258 5.335 1.00 0.00 C ATOM 391 CG LYS A 26 15.996 -1.777 5.482 1.00 0.00 C ATOM 392 CD LYS A 26 16.337 -2.124 6.932 1.00 0.00 C ATOM 393 CE LYS A 26 17.849 -2.314 7.069 1.00 0.00 C ATOM 394 NZ LYS A 26 18.206 -1.637 8.347 1.00 0.00 N ATOM 0 H LYS A 26 13.604 -0.939 5.002 1.00 0.00 H new ATOM 0 HA LYS A 26 15.126 1.156 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.874 0.196 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.313 0.157 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.058 -2.252 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.766 -2.162 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.998 -1.329 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.817 -3.034 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.114 -3.371 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.381 -1.873 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.229 -1.724 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.948 -0.631 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.690 -2.083 9.132 1.00 0.00 H new ATOM 408 N ALA A 27 15.652 -1.679 2.411 1.00 0.00 N ATOM 409 CA ALA A 27 16.371 -2.295 1.261 1.00 0.00 C ATOM 410 C ALA A 27 15.623 -1.992 -0.040 1.00 0.00 C ATOM 411 O ALA A 27 16.052 -2.358 -1.116 1.00 0.00 O ATOM 412 CB ALA A 27 16.364 -3.797 1.548 1.00 0.00 C ATOM 0 H ALA A 27 14.910 -2.251 2.815 1.00 0.00 H new ATOM 0 HA ALA A 27 17.384 -1.910 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.877 -4.324 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.875 -3.990 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.335 -4.150 1.614 1.00 0.00 H new ATOM 418 N VAL A 28 14.509 -1.317 0.054 1.00 0.00 N ATOM 419 CA VAL A 28 13.735 -0.977 -1.172 1.00 0.00 C ATOM 420 C VAL A 28 14.293 0.297 -1.789 1.00 0.00 C ATOM 421 O VAL A 28 15.173 0.929 -1.238 1.00 0.00 O ATOM 422 CB VAL A 28 12.302 -0.754 -0.689 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.454 -0.174 -1.821 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.702 -2.085 -0.240 1.00 0.00 C ATOM 0 H VAL A 28 14.102 -0.986 0.929 1.00 0.00 H new ATOM 0 HA VAL A 28 13.788 -1.758 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 28 12.313 -0.055 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.434 -0.018 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.877 0.778 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.445 -0.868 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.680 -1.926 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.698 -2.783 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.299 -2.497 0.574 1.00 0.00 H new ATOM 434 N LYS A 29 13.790 0.690 -2.920 1.00 0.00 N ATOM 435 CA LYS A 29 14.305 1.931 -3.544 1.00 0.00 C ATOM 436 C LYS A 29 13.501 3.125 -3.056 1.00 0.00 C ATOM 437 O LYS A 29 12.379 3.347 -3.461 1.00 0.00 O ATOM 438 CB LYS A 29 14.122 1.760 -5.040 1.00 0.00 C ATOM 439 CG LYS A 29 15.490 1.787 -5.718 1.00 0.00 C ATOM 440 CD LYS A 29 16.100 0.385 -5.699 1.00 0.00 C ATOM 441 CE LYS A 29 16.706 0.072 -7.068 1.00 0.00 C ATOM 442 NZ LYS A 29 17.976 -0.645 -6.769 1.00 0.00 N ATOM 0 H LYS A 29 13.052 0.210 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 29 15.350 2.104 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.616 0.818 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.491 2.556 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.391 2.138 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.148 2.488 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.867 0.321 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.336 -0.352 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.035 -0.545 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.891 0.984 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.452 -0.894 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.597 -0.031 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.768 -1.512 -6.233 1.00 0.00 H new ATOM 456 N CYS A 30 14.075 3.892 -2.193 1.00 0.00 N ATOM 457 CA CYS A 30 13.358 5.090 -1.672 1.00 0.00 C ATOM 458 C CYS A 30 12.714 5.839 -2.839 1.00 0.00 C ATOM 459 O CYS A 30 11.755 6.567 -2.674 1.00 0.00 O ATOM 460 CB CYS A 30 14.435 5.948 -1.007 1.00 0.00 C ATOM 461 SG CYS A 30 14.968 5.163 0.535 1.00 0.00 S ATOM 0 H CYS A 30 15.013 3.749 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 30 12.565 4.834 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.285 6.068 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.046 6.946 -0.804 1.00 0.00 H new ATOM 466 N GLY A 31 13.236 5.657 -4.022 1.00 0.00 N ATOM 467 CA GLY A 31 12.661 6.347 -5.210 1.00 0.00 C ATOM 468 C GLY A 31 11.524 5.503 -5.790 1.00 0.00 C ATOM 469 O GLY A 31 10.727 5.978 -6.572 1.00 0.00 O ATOM 0 H GLY A 31 14.038 5.058 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.289 7.332 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.434 6.502 -5.963 1.00 0.00 H new ATOM 473 N ASP A 32 11.430 4.259 -5.406 1.00 0.00 N ATOM 474 CA ASP A 32 10.328 3.409 -5.933 1.00 0.00 C ATOM 475 C ASP A 32 9.049 3.735 -5.163 1.00 0.00 C ATOM 476 O ASP A 32 7.953 3.645 -5.679 1.00 0.00 O ATOM 477 CB ASP A 32 10.778 1.970 -5.688 1.00 0.00 C ATOM 478 CG ASP A 32 10.601 1.159 -6.973 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.750 1.523 -7.768 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.321 0.188 -7.141 1.00 0.00 O ATOM 0 H ASP A 32 12.065 3.798 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 32 10.122 3.573 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.822 1.952 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.194 1.527 -4.881 1.00 0.00 H new ATOM 485 N CYS A 33 9.194 4.152 -3.935 1.00 0.00 N ATOM 486 CA CYS A 33 8.006 4.534 -3.123 1.00 0.00 C ATOM 487 C CYS A 33 7.852 6.056 -3.191 1.00 0.00 C ATOM 488 O CYS A 33 6.837 6.573 -3.614 1.00 0.00 O ATOM 489 CB CYS A 33 8.333 4.087 -1.697 1.00 0.00 C ATOM 490 SG CYS A 33 7.853 2.357 -1.471 1.00 0.00 S ATOM 0 H CYS A 33 10.090 4.245 -3.457 1.00 0.00 H new ATOM 0 HA CYS A 33 7.078 4.081 -3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.399 4.206 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.807 4.717 -0.979 1.00 0.00 H new ATOM 495 N HIS A 34 8.875 6.773 -2.806 1.00 0.00 N ATOM 496 CA HIS A 34 8.821 8.259 -2.876 1.00 0.00 C ATOM 497 C HIS A 34 9.308 8.708 -4.254 1.00 0.00 C ATOM 498 O HIS A 34 10.028 9.677 -4.379 1.00 0.00 O ATOM 499 CB HIS A 34 9.795 8.751 -1.805 1.00 0.00 C ATOM 500 CG HIS A 34 9.239 8.492 -0.431 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.074 9.089 0.026 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.694 7.717 0.605 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.875 8.669 1.291 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.835 7.832 1.690 1.00 0.00 N ATOM 0 H HIS A 34 9.748 6.389 -2.445 1.00 0.00 H new ATOM 0 HA HIS A 34 7.815 8.647 -2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.754 8.246 -1.917 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.979 9.817 -1.934 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.477 9.728 -0.499 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.586 7.109 0.581 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.041 8.972 1.906 1.00 0.00 H new ATOM 512 N HIS A 35 8.942 7.992 -5.285 1.00 0.00 N ATOM 513 CA HIS A 35 9.402 8.355 -6.658 1.00 0.00 C ATOM 514 C HIS A 35 9.505 9.875 -6.817 1.00 0.00 C ATOM 515 O HIS A 35 8.984 10.624 -6.014 1.00 0.00 O ATOM 516 CB HIS A 35 8.340 7.785 -7.593 1.00 0.00 C ATOM 517 CG HIS A 35 6.992 8.248 -7.152 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.549 9.514 -7.437 1.00 0.00 N ATOM 519 CD2 HIS A 35 5.976 7.629 -6.467 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.311 9.635 -6.937 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.906 8.512 -6.332 1.00 0.00 N ATOM 0 H HIS A 35 8.342 7.169 -5.235 1.00 0.00 H new ATOM 0 HA HIS A 35 10.394 7.958 -6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.530 8.107 -8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.382 6.696 -7.588 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.068 10.234 -7.939 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.002 6.617 -6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.713 10.531 -7.013 1.00 0.00 H new ATOM 529 N PRO A 36 10.179 10.280 -7.860 1.00 0.00 N ATOM 530 CA PRO A 36 10.361 11.725 -8.134 1.00 0.00 C ATOM 531 C PRO A 36 9.020 12.362 -8.499 1.00 0.00 C ATOM 532 O PRO A 36 8.317 11.899 -9.375 1.00 0.00 O ATOM 533 CB PRO A 36 11.331 11.749 -9.313 1.00 0.00 C ATOM 534 CG PRO A 36 11.156 10.421 -9.974 1.00 0.00 C ATOM 535 CD PRO A 36 10.816 9.444 -8.880 1.00 0.00 C ATOM 0 HA PRO A 36 10.738 12.287 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.102 12.566 -9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.358 11.892 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.363 10.460 -10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.067 10.122 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.144 8.662 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.707 8.948 -8.494 1.00 0.00 H new ATOM 543 N VAL A 37 8.654 13.411 -7.819 1.00 0.00 N ATOM 544 CA VAL A 37 7.347 14.072 -8.111 1.00 0.00 C ATOM 545 C VAL A 37 7.570 15.467 -8.705 1.00 0.00 C ATOM 546 O VAL A 37 6.694 16.310 -8.691 1.00 0.00 O ATOM 547 CB VAL A 37 6.645 14.143 -6.751 1.00 0.00 C ATOM 548 CG1 VAL A 37 5.653 15.308 -6.731 1.00 0.00 C ATOM 549 CG2 VAL A 37 5.891 12.835 -6.504 1.00 0.00 C ATOM 0 H VAL A 37 9.201 13.841 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 37 6.753 13.529 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 37 7.391 14.296 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.160 15.349 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.186 16.242 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.906 15.163 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.390 12.881 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.150 12.688 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.595 12.003 -6.509 1.00 0.00 H new ATOM 559 N ASN A 38 8.730 15.706 -9.240 1.00 0.00 N ATOM 560 CA ASN A 38 9.022 17.038 -9.849 1.00 0.00 C ATOM 561 C ASN A 38 10.486 17.070 -10.282 1.00 0.00 C ATOM 562 O ASN A 38 10.830 16.719 -11.394 1.00 0.00 O ATOM 563 CB ASN A 38 8.776 18.053 -8.730 1.00 0.00 C ATOM 564 CG ASN A 38 8.614 19.450 -9.333 1.00 0.00 C ATOM 565 OD1 ASN A 38 9.329 19.818 -10.243 1.00 0.00 O ATOM 566 ND2 ASN A 38 7.697 20.250 -8.862 1.00 0.00 N ATOM 0 H ASN A 38 9.497 15.035 -9.284 1.00 0.00 H new ATOM 0 HA ASN A 38 8.406 17.250 -10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.882 17.782 -8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.609 18.043 -8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.582 21.183 -9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.096 19.943 -8.098 1.00 0.00 H new ATOM 573 N GLY A 39 11.351 17.457 -9.391 1.00 0.00 N ATOM 574 CA GLY A 39 12.798 17.483 -9.709 1.00 0.00 C ATOM 575 C GLY A 39 13.494 16.530 -8.741 1.00 0.00 C ATOM 576 O GLY A 39 14.693 16.333 -8.790 1.00 0.00 O ATOM 0 H GLY A 39 11.112 17.759 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.970 17.176 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.196 18.493 -9.606 1.00 0.00 H new ATOM 580 N LYS A 40 12.735 15.936 -7.854 1.00 0.00 N ATOM 581 CA LYS A 40 13.331 14.988 -6.872 1.00 0.00 C ATOM 582 C LYS A 40 12.240 14.082 -6.294 1.00 0.00 C ATOM 583 O LYS A 40 11.080 14.197 -6.638 1.00 0.00 O ATOM 584 CB LYS A 40 13.932 15.872 -5.778 1.00 0.00 C ATOM 585 CG LYS A 40 12.842 16.768 -5.189 1.00 0.00 C ATOM 586 CD LYS A 40 13.303 18.227 -5.231 1.00 0.00 C ATOM 587 CE LYS A 40 14.296 18.484 -4.096 1.00 0.00 C ATOM 588 NZ LYS A 40 14.182 19.940 -3.809 1.00 0.00 N ATOM 0 H LYS A 40 11.727 16.069 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 40 14.081 14.339 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.371 15.253 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.736 16.482 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.916 16.652 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.629 16.472 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.769 18.444 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.445 18.893 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.053 17.888 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.311 18.218 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.834 20.194 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.425 20.482 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.207 20.162 -3.524 1.00 0.00 H new ATOM 602 N GLU A 41 12.601 13.183 -5.424 1.00 0.00 N ATOM 603 CA GLU A 41 11.584 12.269 -4.829 1.00 0.00 C ATOM 604 C GLU A 41 11.014 12.861 -3.542 1.00 0.00 C ATOM 605 O GLU A 41 11.711 13.023 -2.561 1.00 0.00 O ATOM 606 CB GLU A 41 12.349 10.986 -4.519 1.00 0.00 C ATOM 607 CG GLU A 41 12.558 10.194 -5.808 1.00 0.00 C ATOM 608 CD GLU A 41 13.983 9.638 -5.839 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.568 9.500 -4.777 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.465 9.359 -6.924 1.00 0.00 O ATOM 0 H GLU A 41 13.557 13.040 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 41 10.742 12.103 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.311 11.224 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.796 10.386 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.837 9.379 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.387 10.835 -6.673 1.00 0.00 H new ATOM 617 N ASP A 42 9.747 13.172 -3.527 1.00 0.00 N ATOM 618 CA ASP A 42 9.150 13.731 -2.286 1.00 0.00 C ATOM 619 C ASP A 42 9.309 12.718 -1.154 1.00 0.00 C ATOM 620 O ASP A 42 8.621 11.717 -1.101 1.00 0.00 O ATOM 621 CB ASP A 42 7.674 13.947 -2.596 1.00 0.00 C ATOM 622 CG ASP A 42 7.495 15.272 -3.341 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.268 15.526 -4.250 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.590 16.008 -2.988 1.00 0.00 O ATOM 0 H ASP A 42 9.106 13.064 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 42 9.629 14.660 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.295 13.124 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.095 13.956 -1.672 1.00 0.00 H new ATOM 629 N TYR A 43 10.215 12.962 -0.259 1.00 0.00 N ATOM 630 CA TYR A 43 10.427 12.004 0.863 1.00 0.00 C ATOM 631 C TYR A 43 9.401 12.256 1.973 1.00 0.00 C ATOM 632 O TYR A 43 9.752 12.541 3.100 1.00 0.00 O ATOM 633 CB TYR A 43 11.842 12.292 1.370 1.00 0.00 C ATOM 634 CG TYR A 43 12.847 11.965 0.291 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.931 10.665 -0.222 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.699 12.965 -0.196 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.864 10.364 -1.220 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.632 12.664 -1.195 1.00 0.00 C ATOM 639 CZ TYR A 43 14.715 11.363 -1.706 1.00 0.00 C ATOM 640 OH TYR A 43 15.637 11.067 -2.690 1.00 0.00 O ATOM 0 H TYR A 43 10.821 13.782 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 43 10.310 10.967 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.930 13.340 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.046 11.700 2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.275 9.894 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.636 13.968 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.928 9.361 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.288 13.435 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 43 15.220 10.496 -3.368 1.00 0.00 H new ATOM 650 N GLN A 44 8.135 12.158 1.664 1.00 0.00 N ATOM 651 CA GLN A 44 7.094 12.398 2.708 1.00 0.00 C ATOM 652 C GLN A 44 6.009 11.322 2.639 1.00 0.00 C ATOM 653 O GLN A 44 5.925 10.568 1.691 1.00 0.00 O ATOM 654 CB GLN A 44 6.510 13.770 2.371 1.00 0.00 C ATOM 655 CG GLN A 44 6.190 13.834 0.876 1.00 0.00 C ATOM 656 CD GLN A 44 5.531 15.175 0.550 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.611 15.237 -0.241 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.967 16.260 1.129 1.00 0.00 N ATOM 0 H GLN A 44 7.777 11.923 0.738 1.00 0.00 H new ATOM 0 HA GLN A 44 7.506 12.363 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.607 13.946 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.219 14.554 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.103 13.715 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.526 13.014 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.739 16.208 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.535 17.160 0.917 1.00 0.00 H new ATOM 667 N LYS A 45 5.180 11.246 3.644 1.00 0.00 N ATOM 668 CA LYS A 45 4.104 10.218 3.651 1.00 0.00 C ATOM 669 C LYS A 45 3.478 10.087 2.262 1.00 0.00 C ATOM 670 O LYS A 45 3.391 11.040 1.513 1.00 0.00 O ATOM 671 CB LYS A 45 3.078 10.722 4.664 1.00 0.00 C ATOM 672 CG LYS A 45 3.475 10.257 6.066 1.00 0.00 C ATOM 673 CD LYS A 45 2.797 11.145 7.110 1.00 0.00 C ATOM 674 CE LYS A 45 3.637 11.159 8.390 1.00 0.00 C ATOM 675 NZ LYS A 45 2.673 10.862 9.485 1.00 0.00 N ATOM 0 H LYS A 45 5.203 11.854 4.463 1.00 0.00 H new ATOM 0 HA LYS A 45 4.482 9.230 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.024 11.810 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.087 10.346 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.182 9.217 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.558 10.302 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.686 12.158 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.795 10.773 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.431 10.413 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.116 12.127 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.174 10.854 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.933 11.592 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.238 9.932 9.321 1.00 0.00 H new ATOM 689 N CYS A 46 3.054 8.907 1.915 1.00 0.00 N ATOM 690 CA CYS A 46 2.444 8.689 0.575 1.00 0.00 C ATOM 691 C CYS A 46 1.245 9.617 0.361 1.00 0.00 C ATOM 692 O CYS A 46 1.074 10.193 -0.695 1.00 0.00 O ATOM 693 CB CYS A 46 1.998 7.228 0.587 1.00 0.00 C ATOM 694 SG CYS A 46 3.427 6.160 0.895 1.00 0.00 S ATOM 0 H CYS A 46 3.104 8.077 2.506 1.00 0.00 H new ATOM 0 HA CYS A 46 3.143 8.903 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.243 7.074 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.537 6.970 -0.366 1.00 0.00 H new ATOM 699 N ALA A 47 0.412 9.754 1.348 1.00 0.00 N ATOM 700 CA ALA A 47 -0.784 10.634 1.201 1.00 0.00 C ATOM 701 C ALA A 47 -0.565 11.967 1.912 1.00 0.00 C ATOM 702 O ALA A 47 -1.332 12.361 2.768 1.00 0.00 O ATOM 703 CB ALA A 47 -1.914 9.867 1.868 1.00 0.00 C ATOM 0 H ALA A 47 0.504 9.295 2.254 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.994 10.864 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.835 10.447 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.052 8.911 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.667 9.693 2.915 1.00 0.00 H new ATOM 709 N THR A 48 0.474 12.663 1.565 1.00 0.00 N ATOM 710 CA THR A 48 0.746 13.971 2.216 1.00 0.00 C ATOM 711 C THR A 48 -0.501 14.857 2.170 1.00 0.00 C ATOM 712 O THR A 48 -1.564 14.434 1.761 1.00 0.00 O ATOM 713 CB THR A 48 1.883 14.595 1.405 1.00 0.00 C ATOM 714 OG1 THR A 48 2.715 13.564 0.890 1.00 0.00 O ATOM 715 CG2 THR A 48 2.705 15.517 2.305 1.00 0.00 C ATOM 0 H THR A 48 1.151 12.383 0.855 1.00 0.00 H new ATOM 0 HA THR A 48 1.014 13.859 3.267 1.00 0.00 H new ATOM 0 HB THR A 48 1.468 15.173 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.958 13.772 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.515 15.962 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.065 16.306 2.699 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.122 14.942 3.131 1.00 0.00 H new ATOM 723 N ALA A 49 -0.377 16.083 2.588 1.00 0.00 N ATOM 724 CA ALA A 49 -1.551 17.004 2.574 1.00 0.00 C ATOM 725 C ALA A 49 -1.841 17.462 1.147 1.00 0.00 C ATOM 726 O ALA A 49 -1.779 18.632 0.825 1.00 0.00 O ATOM 727 CB ALA A 49 -1.139 18.187 3.438 1.00 0.00 C ATOM 0 H ALA A 49 0.489 16.491 2.941 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.456 16.524 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.953 18.910 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.914 17.840 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.254 18.659 3.011 1.00 0.00 H new ATOM 733 N GLY A 50 -2.146 16.536 0.293 1.00 0.00 N ATOM 734 CA GLY A 50 -2.437 16.875 -1.130 1.00 0.00 C ATOM 735 C GLY A 50 -1.899 15.749 -2.003 1.00 0.00 C ATOM 736 O GLY A 50 -2.181 15.657 -3.182 1.00 0.00 O ATOM 0 H GLY A 50 -2.208 15.543 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.510 16.995 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.969 17.822 -1.399 1.00 0.00 H new ATOM 740 N CYS A 51 -1.126 14.886 -1.412 1.00 0.00 N ATOM 741 CA CYS A 51 -0.545 13.744 -2.142 1.00 0.00 C ATOM 742 C CYS A 51 -1.618 12.646 -2.282 1.00 0.00 C ATOM 743 O CYS A 51 -2.719 12.916 -2.723 1.00 0.00 O ATOM 744 CB CYS A 51 0.606 13.347 -1.218 1.00 0.00 C ATOM 745 SG CYS A 51 2.177 13.860 -1.951 1.00 0.00 S ATOM 0 H CYS A 51 -0.869 14.932 -0.426 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.205 13.943 -3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.479 13.814 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.602 12.269 -1.059 1.00 0.00 H new ATOM 750 N HIS A 52 -1.340 11.426 -1.907 1.00 0.00 N ATOM 751 CA HIS A 52 -2.384 10.369 -2.024 1.00 0.00 C ATOM 752 C HIS A 52 -3.365 10.502 -0.858 1.00 0.00 C ATOM 753 O HIS A 52 -3.543 9.591 -0.075 1.00 0.00 O ATOM 754 CB HIS A 52 -1.627 9.043 -1.927 1.00 0.00 C ATOM 755 CG HIS A 52 -0.794 8.836 -3.152 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.367 8.650 -4.386 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.562 8.778 -3.350 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.374 8.490 -5.280 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.826 8.561 -4.697 1.00 0.00 N ATOM 0 H HIS A 52 -0.444 11.118 -1.528 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.952 10.441 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.992 9.042 -1.041 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.333 8.220 -1.814 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.367 8.636 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.310 8.885 -2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.528 8.325 -6.336 1.00 0.00 H new ATOM 767 N ASP A 53 -3.984 11.644 -0.721 1.00 0.00 N ATOM 768 CA ASP A 53 -4.930 11.845 0.414 1.00 0.00 C ATOM 769 C ASP A 53 -6.391 11.733 -0.037 1.00 0.00 C ATOM 770 O ASP A 53 -7.274 12.291 0.583 1.00 0.00 O ATOM 771 CB ASP A 53 -4.641 13.261 0.919 1.00 0.00 C ATOM 772 CG ASP A 53 -4.900 14.266 -0.204 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.432 13.862 -1.224 1.00 0.00 O ATOM 774 OD2 ASP A 53 -4.561 15.425 -0.025 1.00 0.00 O ATOM 0 H ASP A 53 -3.876 12.444 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.792 11.085 1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.273 13.488 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.607 13.334 1.256 1.00 0.00 H new ATOM 779 N ASN A 54 -6.673 11.013 -1.091 1.00 0.00 N ATOM 780 CA ASN A 54 -8.096 10.888 -1.517 1.00 0.00 C ATOM 781 C ASN A 54 -8.797 9.853 -0.641 1.00 0.00 C ATOM 782 O ASN A 54 -8.622 8.663 -0.809 1.00 0.00 O ATOM 783 CB ASN A 54 -8.058 10.421 -2.969 1.00 0.00 C ATOM 784 CG ASN A 54 -9.449 10.569 -3.585 1.00 0.00 C ATOM 785 OD1 ASN A 54 -10.406 10.001 -3.098 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.601 11.313 -4.644 1.00 0.00 N ATOM 0 H ASN A 54 -5.993 10.515 -1.665 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.639 11.828 -1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.334 11.009 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.734 9.382 -3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.524 11.419 -5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.797 11.790 -5.052 1.00 0.00 H new ATOM 793 N MET A 55 -9.580 10.296 0.301 1.00 0.00 N ATOM 794 CA MET A 55 -10.280 9.333 1.195 1.00 0.00 C ATOM 795 C MET A 55 -11.517 8.757 0.503 1.00 0.00 C ATOM 796 O MET A 55 -12.349 8.129 1.126 1.00 0.00 O ATOM 797 CB MET A 55 -10.681 10.152 2.421 1.00 0.00 C ATOM 798 CG MET A 55 -9.459 10.356 3.319 1.00 0.00 C ATOM 799 SD MET A 55 -8.861 12.055 3.147 1.00 0.00 S ATOM 800 CE MET A 55 -7.107 11.706 3.418 1.00 0.00 C ATOM 0 H MET A 55 -9.766 11.281 0.491 1.00 0.00 H new ATOM 0 HA MET A 55 -9.648 8.485 1.458 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.084 11.117 2.112 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.469 9.639 2.972 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.720 10.154 4.358 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.672 9.653 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.540 12.636 3.372 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.974 11.248 4.398 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.748 11.024 2.647 1.00 0.00 H new ATOM 810 N ASP A 56 -11.643 8.953 -0.781 1.00 0.00 N ATOM 811 CA ASP A 56 -12.824 8.400 -1.498 1.00 0.00 C ATOM 812 C ASP A 56 -12.605 6.912 -1.765 1.00 0.00 C ATOM 813 O ASP A 56 -13.526 6.182 -2.073 1.00 0.00 O ATOM 814 CB ASP A 56 -12.902 9.181 -2.810 1.00 0.00 C ATOM 815 CG ASP A 56 -14.367 9.338 -3.223 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.994 10.276 -2.761 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.836 8.517 -3.995 1.00 0.00 O ATOM 0 H ASP A 56 -10.982 9.470 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.746 8.495 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.440 10.161 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.347 8.659 -3.590 1.00 0.00 H new ATOM 822 N LYS A 57 -11.387 6.456 -1.641 1.00 0.00 N ATOM 823 CA LYS A 57 -11.104 5.012 -1.880 1.00 0.00 C ATOM 824 C LYS A 57 -11.519 4.621 -3.299 1.00 0.00 C ATOM 825 O LYS A 57 -11.699 3.460 -3.606 1.00 0.00 O ATOM 826 CB LYS A 57 -11.955 4.273 -0.848 1.00 0.00 C ATOM 827 CG LYS A 57 -11.660 4.826 0.548 1.00 0.00 C ATOM 828 CD LYS A 57 -12.745 4.364 1.526 1.00 0.00 C ATOM 829 CE LYS A 57 -14.127 4.620 0.921 1.00 0.00 C ATOM 830 NZ LYS A 57 -15.087 4.362 2.032 1.00 0.00 N ATOM 0 H LYS A 57 -10.577 7.021 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.045 4.773 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.013 4.392 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.739 3.205 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.682 4.483 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.623 5.915 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.624 3.303 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.647 4.897 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.214 5.642 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.316 3.960 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.058 4.517 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.986 3.379 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.887 5.010 2.821 1.00 0.00 H new ATOM 844 N LYS A 58 -11.677 5.583 -4.169 1.00 0.00 N ATOM 845 CA LYS A 58 -12.086 5.264 -5.568 1.00 0.00 C ATOM 846 C LYS A 58 -11.225 6.037 -6.574 1.00 0.00 C ATOM 847 O LYS A 58 -11.312 5.825 -7.767 1.00 0.00 O ATOM 848 CB LYS A 58 -13.545 5.709 -5.660 1.00 0.00 C ATOM 849 CG LYS A 58 -14.391 4.891 -4.683 1.00 0.00 C ATOM 850 CD LYS A 58 -14.589 3.479 -5.236 1.00 0.00 C ATOM 851 CE LYS A 58 -16.038 3.308 -5.697 1.00 0.00 C ATOM 852 NZ LYS A 58 -15.975 3.350 -7.185 1.00 0.00 N ATOM 0 H LYS A 58 -11.541 6.574 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.961 4.206 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.628 6.771 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.914 5.575 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.901 4.846 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.357 5.372 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.908 3.305 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.351 2.741 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.455 2.364 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.673 4.103 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.932 3.239 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.580 4.262 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.369 2.578 -7.529 1.00 0.00 H new ATOM 866 N ASP A 59 -10.396 6.932 -6.107 1.00 0.00 N ATOM 867 CA ASP A 59 -9.539 7.711 -7.048 1.00 0.00 C ATOM 868 C ASP A 59 -8.538 6.783 -7.742 1.00 0.00 C ATOM 869 O ASP A 59 -7.560 6.360 -7.157 1.00 0.00 O ATOM 870 CB ASP A 59 -8.808 8.731 -6.173 1.00 0.00 C ATOM 871 CG ASP A 59 -7.642 9.335 -6.957 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.766 8.584 -7.354 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.644 10.540 -7.148 1.00 0.00 O ATOM 0 H ASP A 59 -10.275 7.157 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.122 8.194 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.496 9.517 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.440 8.251 -5.266 1.00 0.00 H new ATOM 878 N LYS A 60 -8.775 6.463 -8.985 1.00 0.00 N ATOM 879 CA LYS A 60 -7.837 5.564 -9.717 1.00 0.00 C ATOM 880 C LYS A 60 -6.735 6.386 -10.393 1.00 0.00 C ATOM 881 O LYS A 60 -6.100 5.940 -11.328 1.00 0.00 O ATOM 882 CB LYS A 60 -8.700 4.860 -10.764 1.00 0.00 C ATOM 883 CG LYS A 60 -8.631 3.347 -10.550 1.00 0.00 C ATOM 884 CD LYS A 60 -7.278 2.823 -11.035 1.00 0.00 C ATOM 885 CE LYS A 60 -7.310 2.661 -12.557 1.00 0.00 C ATOM 886 NZ LYS A 60 -8.155 1.458 -12.798 1.00 0.00 N ATOM 0 H LYS A 60 -9.578 6.785 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.342 4.855 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.732 5.202 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.353 5.112 -11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.766 3.112 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.439 2.855 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.485 3.513 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.055 1.867 -10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.732 3.543 -13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.307 2.526 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.674 0.825 -13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.311 0.958 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.071 1.751 -13.195 1.00 0.00 H new ATOM 900 N SER A 61 -6.506 7.583 -9.927 1.00 0.00 N ATOM 901 CA SER A 61 -5.446 8.433 -10.544 1.00 0.00 C ATOM 902 C SER A 61 -4.155 8.344 -9.726 1.00 0.00 C ATOM 903 O SER A 61 -3.963 7.428 -8.950 1.00 0.00 O ATOM 904 CB SER A 61 -6.008 9.853 -10.507 1.00 0.00 C ATOM 905 OG SER A 61 -6.197 10.317 -11.837 1.00 0.00 O ATOM 0 H SER A 61 -7.006 8.010 -9.147 1.00 0.00 H new ATOM 0 HA SER A 61 -5.201 8.118 -11.558 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.954 9.868 -9.966 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.325 10.513 -9.973 1.00 0.00 H new ATOM 0 HG SER A 61 -6.559 11.227 -11.817 1.00 0.00 H new ATOM 911 N ALA A 62 -3.268 9.286 -9.895 1.00 0.00 N ATOM 912 CA ALA A 62 -1.990 9.251 -9.127 1.00 0.00 C ATOM 913 C ALA A 62 -2.126 10.064 -7.835 1.00 0.00 C ATOM 914 O ALA A 62 -1.148 10.433 -7.217 1.00 0.00 O ATOM 915 CB ALA A 62 -0.952 9.884 -10.053 1.00 0.00 C ATOM 0 H ALA A 62 -3.372 10.077 -10.530 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.711 8.238 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.019 9.895 -9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.883 9.304 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.250 10.905 -10.290 1.00 0.00 H new ATOM 921 N LYS A 63 -3.333 10.350 -7.428 1.00 0.00 N ATOM 922 CA LYS A 63 -3.533 11.141 -6.181 1.00 0.00 C ATOM 923 C LYS A 63 -4.434 10.380 -5.213 1.00 0.00 C ATOM 924 O LYS A 63 -4.625 10.781 -4.081 1.00 0.00 O ATOM 925 CB LYS A 63 -4.232 12.418 -6.632 1.00 0.00 C ATOM 926 CG LYS A 63 -3.589 13.625 -5.949 1.00 0.00 C ATOM 927 CD LYS A 63 -2.461 14.168 -6.828 1.00 0.00 C ATOM 928 CE LYS A 63 -1.164 14.225 -6.018 1.00 0.00 C ATOM 929 NZ LYS A 63 -0.343 15.275 -6.683 1.00 0.00 N ATOM 0 H LYS A 63 -4.189 10.070 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.592 11.338 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.161 12.520 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.293 12.370 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.336 14.400 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.198 13.338 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.328 13.531 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.717 15.162 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.360 14.478 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.653 13.262 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.564 15.374 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.167 15.004 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.852 16.182 -6.658 1.00 0.00 H new ATOM 943 N GLY A 64 -5.009 9.299 -5.652 1.00 0.00 N ATOM 944 CA GLY A 64 -5.916 8.535 -4.758 1.00 0.00 C ATOM 945 C GLY A 64 -5.120 7.549 -3.911 1.00 0.00 C ATOM 946 O GLY A 64 -4.332 6.769 -4.411 1.00 0.00 O ATOM 0 H GLY A 64 -4.891 8.912 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.463 9.221 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.656 7.999 -5.352 1.00 0.00 H new ATOM 950 N TYR A 65 -5.332 7.576 -2.628 1.00 0.00 N ATOM 951 CA TYR A 65 -4.609 6.640 -1.728 1.00 0.00 C ATOM 952 C TYR A 65 -4.887 5.196 -2.151 1.00 0.00 C ATOM 953 O TYR A 65 -3.998 4.466 -2.546 1.00 0.00 O ATOM 954 CB TYR A 65 -5.194 6.918 -0.342 1.00 0.00 C ATOM 955 CG TYR A 65 -4.180 6.586 0.727 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.809 6.641 0.444 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.616 6.224 2.005 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.878 6.331 1.441 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.684 5.915 3.001 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.316 5.968 2.718 1.00 0.00 C ATOM 961 OH TYR A 65 -1.398 5.659 3.699 1.00 0.00 O ATOM 0 H TYR A 65 -5.980 8.211 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.528 6.776 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.485 7.966 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.097 6.325 -0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.471 6.922 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.673 6.183 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.821 6.372 1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.021 5.636 3.988 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.639 6.120 4.529 1.00 0.00 H new ATOM 971 N TYR A 66 -6.122 4.784 -2.073 1.00 0.00 N ATOM 972 CA TYR A 66 -6.487 3.396 -2.467 1.00 0.00 C ATOM 973 C TYR A 66 -5.742 2.962 -3.729 1.00 0.00 C ATOM 974 O TYR A 66 -4.917 2.070 -3.703 1.00 0.00 O ATOM 975 CB TYR A 66 -7.985 3.471 -2.750 1.00 0.00 C ATOM 976 CG TYR A 66 -8.638 2.172 -2.367 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.688 1.113 -3.281 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.199 2.028 -1.096 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.301 -0.092 -2.921 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.812 0.825 -0.737 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.863 -0.236 -1.648 1.00 0.00 C ATOM 982 OH TYR A 66 -10.470 -1.424 -1.291 1.00 0.00 O ATOM 0 H TYR A 66 -6.902 5.357 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.229 2.673 -1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.430 4.292 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.156 3.677 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.254 1.226 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.159 2.846 -0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.340 -0.910 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.247 0.714 0.245 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.636 -1.961 -2.094 1.00 0.00 H new ATOM 992 N HIS A 67 -6.050 3.568 -4.838 1.00 0.00 N ATOM 993 CA HIS A 67 -5.391 3.181 -6.116 1.00 0.00 C ATOM 994 C HIS A 67 -3.903 2.878 -5.911 1.00 0.00 C ATOM 995 O HIS A 67 -3.492 1.736 -5.847 1.00 0.00 O ATOM 996 CB HIS A 67 -5.557 4.391 -7.032 1.00 0.00 C ATOM 997 CG HIS A 67 -4.729 4.176 -8.264 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.025 3.177 -9.176 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.592 4.787 -8.731 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.082 3.210 -10.132 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.184 4.173 -9.911 1.00 0.00 N ATOM 0 H HIS A 67 -6.734 4.320 -4.916 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.835 2.276 -6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.606 4.522 -7.299 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.243 5.300 -6.519 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.815 2.533 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.091 5.617 -8.255 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.054 2.539 -10.977 1.00 0.00 H new ATOM 1009 N ALA A 68 -3.094 3.896 -5.836 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.625 3.687 -5.669 1.00 0.00 C ATOM 1011 C ALA A 68 -1.321 2.629 -4.600 1.00 0.00 C ATOM 1012 O ALA A 68 -0.276 2.013 -4.612 1.00 0.00 O ATOM 1013 CB ALA A 68 -1.087 5.047 -5.225 1.00 0.00 C ATOM 0 H ALA A 68 -3.387 4.872 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.168 3.328 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.009 4.982 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.305 5.792 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.563 5.339 -4.289 1.00 0.00 H new ATOM 1019 N MET A 69 -2.201 2.432 -3.660 1.00 0.00 N ATOM 1020 CA MET A 69 -1.921 1.434 -2.586 1.00 0.00 C ATOM 1021 C MET A 69 -2.402 0.030 -2.960 1.00 0.00 C ATOM 1022 O MET A 69 -1.835 -0.955 -2.530 1.00 0.00 O ATOM 1023 CB MET A 69 -2.684 1.954 -1.374 1.00 0.00 C ATOM 1024 CG MET A 69 -2.085 3.294 -0.947 1.00 0.00 C ATOM 1025 SD MET A 69 -1.197 3.096 0.615 1.00 0.00 S ATOM 1026 CE MET A 69 0.284 4.026 0.144 1.00 0.00 C ATOM 0 H MET A 69 -3.097 2.914 -3.587 1.00 0.00 H new ATOM 0 HA MET A 69 -0.850 1.335 -2.406 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.740 2.074 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.624 1.237 -0.555 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.407 3.662 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.875 4.037 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.044 3.917 0.918 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.670 3.642 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.031 5.080 0.030 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.439 -0.088 -3.739 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.925 -1.449 -4.097 1.00 0.00 C ATOM 1038 C HIS A 70 -3.722 -1.726 -5.591 1.00 0.00 C ATOM 1039 O HIS A 70 -3.892 -2.838 -6.050 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.412 -1.435 -3.745 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.578 -1.028 -2.305 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.826 0.284 -1.932 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.533 -1.747 -1.138 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.920 0.314 -0.589 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.749 -0.898 -0.055 1.00 0.00 N ATOM 0 H HIS A 70 -3.966 0.688 -4.139 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.383 -2.232 -3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.945 -0.741 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.846 -2.422 -3.908 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.920 1.082 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.357 -2.810 -1.069 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.110 1.208 -0.014 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.362 -0.730 -6.354 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.153 -0.952 -7.814 1.00 0.00 C ATOM 1055 C ASP A 71 -1.709 -1.371 -8.095 1.00 0.00 C ATOM 1056 O ASP A 71 -0.771 -0.767 -7.615 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.460 0.395 -8.461 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.975 0.599 -8.494 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.588 0.496 -7.444 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.496 0.851 -9.567 1.00 0.00 O ATOM 0 H ASP A 71 -3.204 0.225 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.786 -1.749 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.984 1.199 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.054 0.428 -9.472 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.525 -2.404 -8.872 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.143 -2.866 -9.188 1.00 0.00 C ATOM 1067 C LYS A 72 0.398 -2.131 -10.416 1.00 0.00 C ATOM 1068 O LYS A 72 1.534 -1.699 -10.444 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.281 -4.362 -9.475 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.113 -4.567 -10.744 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.547 -6.032 -10.839 1.00 0.00 C ATOM 1072 CE LYS A 72 -0.309 -6.925 -10.936 1.00 0.00 C ATOM 1073 NZ LYS A 72 -0.809 -8.216 -11.482 1.00 0.00 N ATOM 0 H LYS A 72 -2.273 -2.948 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 72 0.552 -2.669 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.704 -4.811 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.757 -4.862 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.988 -3.918 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.530 -4.292 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.138 -6.305 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.183 -6.178 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.445 -6.485 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.156 -7.063 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.017 -8.883 -11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.520 -8.614 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.240 -8.055 -12.415 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.408 -1.984 -11.429 1.00 0.00 N ATOM 1088 CA GLY A 73 0.056 -1.274 -12.655 1.00 0.00 C ATOM 1089 C GLY A 73 0.088 0.231 -12.388 1.00 0.00 C ATOM 1090 O GLY A 73 -0.613 1.000 -13.015 1.00 0.00 O ATOM 0 H GLY A 73 -1.369 -2.325 -11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.048 -1.625 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.610 -1.493 -13.489 1.00 0.00 H new ATOM 1094 N THR A 74 0.891 0.655 -11.452 1.00 0.00 N ATOM 1095 CA THR A 74 0.964 2.107 -11.130 1.00 0.00 C ATOM 1096 C THR A 74 2.296 2.703 -11.597 1.00 0.00 C ATOM 1097 O THR A 74 3.260 1.997 -11.819 1.00 0.00 O ATOM 1098 CB THR A 74 0.872 2.167 -9.607 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.780 1.229 -9.046 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.551 1.830 -9.161 1.00 0.00 C ATOM 0 H THR A 74 1.501 0.057 -10.895 1.00 0.00 H new ATOM 0 HA THR A 74 0.175 2.674 -11.624 1.00 0.00 H new ATOM 0 HB THR A 74 1.125 3.171 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.699 1.501 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.612 1.874 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.247 2.549 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.810 0.826 -9.498 1.00 0.00 H new ATOM 1108 N LYS A 75 2.356 4.002 -11.731 1.00 0.00 N ATOM 1109 CA LYS A 75 3.623 4.658 -12.165 1.00 0.00 C ATOM 1110 C LYS A 75 4.818 3.962 -11.508 1.00 0.00 C ATOM 1111 O LYS A 75 5.820 3.690 -12.139 1.00 0.00 O ATOM 1112 CB LYS A 75 3.501 6.100 -11.660 1.00 0.00 C ATOM 1113 CG LYS A 75 4.456 7.011 -12.433 1.00 0.00 C ATOM 1114 CD LYS A 75 4.061 7.046 -13.911 1.00 0.00 C ATOM 1115 CE LYS A 75 5.277 7.443 -14.752 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.861 8.681 -15.466 1.00 0.00 N ATOM 0 H LYS A 75 1.578 4.639 -11.558 1.00 0.00 H new ATOM 0 HA LYS A 75 3.776 4.610 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.476 6.450 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.729 6.141 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.429 8.018 -12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.480 6.651 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.692 6.069 -14.224 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.250 7.758 -14.065 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.150 7.623 -14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.547 6.654 -15.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.648 9.025 -16.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.043 8.473 -16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.601 9.411 -14.772 1.00 0.00 H new ATOM 1130 N PHE A 76 4.711 3.667 -10.242 1.00 0.00 N ATOM 1131 CA PHE A 76 5.829 2.981 -9.531 1.00 0.00 C ATOM 1132 C PHE A 76 5.309 1.740 -8.818 1.00 0.00 C ATOM 1133 O PHE A 76 4.118 1.508 -8.759 1.00 0.00 O ATOM 1134 CB PHE A 76 6.324 3.991 -8.503 1.00 0.00 C ATOM 1135 CG PHE A 76 6.669 5.279 -9.199 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.823 5.371 -9.983 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.819 6.382 -9.068 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.127 6.569 -10.636 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.124 7.578 -9.718 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.277 7.672 -10.502 1.00 0.00 C ATOM 0 H PHE A 76 3.894 3.872 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 76 6.616 2.665 -10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.557 4.166 -7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.198 3.599 -7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.478 4.518 -10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.927 6.308 -8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.017 6.643 -11.243 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.469 8.431 -9.615 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.512 8.598 -11.005 1.00 0.00 H new ATOM 1150 N LYS A 77 6.175 0.946 -8.249 1.00 0.00 N ATOM 1151 CA LYS A 77 5.670 -0.245 -7.530 1.00 0.00 C ATOM 1152 C LYS A 77 4.935 0.225 -6.281 1.00 0.00 C ATOM 1153 O LYS A 77 5.505 0.794 -5.372 1.00 0.00 O ATOM 1154 CB LYS A 77 6.880 -1.095 -7.180 1.00 0.00 C ATOM 1155 CG LYS A 77 7.875 -0.292 -6.347 1.00 0.00 C ATOM 1156 CD LYS A 77 9.134 -1.134 -6.129 1.00 0.00 C ATOM 1157 CE LYS A 77 9.612 -1.691 -7.473 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.940 -3.016 -7.600 1.00 0.00 N ATOM 0 H LYS A 77 7.187 1.070 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 77 4.975 -0.833 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.563 -1.979 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.361 -1.446 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.127 0.639 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.432 -0.021 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.917 -0.527 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.924 -1.951 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.339 -1.029 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.697 -1.795 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.658 -3.767 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.323 -3.173 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.369 -3.034 -8.469 1.00 0.00 H new ATOM 1172 N SER A 78 3.663 0.018 -6.270 1.00 0.00 N ATOM 1173 CA SER A 78 2.815 0.471 -5.131 1.00 0.00 C ATOM 1174 C SER A 78 2.915 -0.474 -3.934 1.00 0.00 C ATOM 1175 O SER A 78 3.638 -1.450 -3.949 1.00 0.00 O ATOM 1176 CB SER A 78 1.396 0.446 -5.690 1.00 0.00 C ATOM 1177 OG SER A 78 1.347 -0.447 -6.796 1.00 0.00 O ATOM 0 H SER A 78 3.154 -0.457 -7.016 1.00 0.00 H new ATOM 0 HA SER A 78 3.124 1.451 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.694 0.129 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.097 1.447 -6.001 1.00 0.00 H new ATOM 0 HG SER A 78 0.412 -0.630 -7.027 1.00 0.00 H new ATOM 1183 N CYS A 79 2.173 -0.181 -2.899 1.00 0.00 N ATOM 1184 CA CYS A 79 2.189 -1.045 -1.689 1.00 0.00 C ATOM 1185 C CYS A 79 1.717 -2.451 -2.062 1.00 0.00 C ATOM 1186 O CYS A 79 2.485 -3.392 -2.076 1.00 0.00 O ATOM 1187 CB CYS A 79 1.205 -0.372 -0.731 1.00 0.00 C ATOM 1188 SG CYS A 79 1.853 1.250 -0.243 1.00 0.00 S ATOM 0 H CYS A 79 1.553 0.627 -2.843 1.00 0.00 H new ATOM 0 HA CYS A 79 3.179 -1.150 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.233 -0.258 -1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.054 -0.996 0.150 1.00 0.00 H new ATOM 1193 N VAL A 80 0.463 -2.593 -2.390 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.053 -3.932 -2.792 1.00 0.00 C ATOM 1195 C VAL A 80 0.529 -4.301 -4.159 1.00 0.00 C ATOM 1196 O VAL A 80 0.589 -5.455 -4.533 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.570 -3.772 -2.877 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.166 -4.958 -3.637 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.163 -3.722 -1.462 1.00 0.00 C ATOM 0 H VAL A 80 -0.226 -1.841 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 80 0.222 -4.720 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.807 -2.846 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.248 -4.844 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.748 -4.993 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.927 -5.883 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.245 -3.608 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.926 -4.646 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.740 -2.876 -0.920 1.00 0.00 H new ATOM 1209 N GLY A 81 0.971 -3.317 -4.902 1.00 0.00 N ATOM 1210 CA GLY A 81 1.565 -3.591 -6.241 1.00 0.00 C ATOM 1211 C GLY A 81 2.954 -4.199 -6.051 1.00 0.00 C ATOM 1212 O GLY A 81 3.330 -5.140 -6.721 1.00 0.00 O ATOM 0 H GLY A 81 0.945 -2.333 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.928 -4.274 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.633 -2.669 -6.819 1.00 0.00 H new ATOM 1216 N CYS A 82 3.711 -3.680 -5.122 1.00 0.00 N ATOM 1217 CA CYS A 82 5.066 -4.243 -4.865 1.00 0.00 C ATOM 1218 C CYS A 82 4.908 -5.504 -4.029 1.00 0.00 C ATOM 1219 O CYS A 82 5.745 -6.386 -4.025 1.00 0.00 O ATOM 1220 CB CYS A 82 5.806 -3.166 -4.070 1.00 0.00 C ATOM 1221 SG CYS A 82 7.585 -3.505 -4.098 1.00 0.00 S ATOM 0 H CYS A 82 3.449 -2.891 -4.531 1.00 0.00 H new ATOM 0 HA CYS A 82 5.605 -4.500 -5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.606 -2.183 -4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.445 -3.147 -3.042 1.00 0.00 H new ATOM 1226 N HIS A 83 3.819 -5.583 -3.320 1.00 0.00 N ATOM 1227 CA HIS A 83 3.553 -6.768 -2.470 1.00 0.00 C ATOM 1228 C HIS A 83 3.205 -7.972 -3.354 1.00 0.00 C ATOM 1229 O HIS A 83 3.878 -8.982 -3.326 1.00 0.00 O ATOM 1230 CB HIS A 83 2.374 -6.333 -1.601 1.00 0.00 C ATOM 1231 CG HIS A 83 2.904 -5.628 -0.384 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.187 -5.540 0.798 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.092 -4.978 -0.151 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.940 -4.865 1.680 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.110 -4.501 1.155 1.00 0.00 N ATOM 0 H HIS A 83 3.094 -4.866 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 83 4.405 -7.079 -1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.715 -5.672 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.782 -7.200 -1.307 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.255 -5.920 0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.888 -4.856 -0.871 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.635 -4.644 2.692 1.00 0.00 H new ATOM 1243 N LEU A 84 2.178 -7.870 -4.156 1.00 0.00 N ATOM 1244 CA LEU A 84 1.820 -9.001 -5.049 1.00 0.00 C ATOM 1245 C LEU A 84 3.049 -9.424 -5.858 1.00 0.00 C ATOM 1246 O LEU A 84 3.168 -10.557 -6.281 1.00 0.00 O ATOM 1247 CB LEU A 84 0.740 -8.428 -5.960 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.485 -9.340 -5.932 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.721 -8.544 -6.352 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.278 -10.510 -6.897 1.00 0.00 C ATOM 0 H LEU A 84 1.574 -7.051 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 84 1.476 -9.884 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.467 -7.425 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.118 -8.339 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.626 -9.726 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.596 -9.194 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.870 -7.713 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.579 -8.157 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.153 -11.159 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.135 -10.127 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.602 -11.078 -6.597 1.00 0.00 H new ATOM 1262 N GLU A 85 3.967 -8.518 -6.068 1.00 0.00 N ATOM 1263 CA GLU A 85 5.196 -8.861 -6.840 1.00 0.00 C ATOM 1264 C GLU A 85 6.289 -9.344 -5.884 1.00 0.00 C ATOM 1265 O GLU A 85 6.949 -10.334 -6.130 1.00 0.00 O ATOM 1266 CB GLU A 85 5.615 -7.557 -7.521 1.00 0.00 C ATOM 1267 CG GLU A 85 5.188 -7.588 -8.989 1.00 0.00 C ATOM 1268 CD GLU A 85 5.963 -6.524 -9.770 1.00 0.00 C ATOM 1269 OE1 GLU A 85 7.159 -6.694 -9.936 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.345 -5.557 -10.187 1.00 0.00 O ATOM 0 H GLU A 85 3.918 -7.554 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 85 5.026 -9.658 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.157 -6.707 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.695 -7.427 -7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.377 -8.574 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.116 -7.406 -9.071 1.00 0.00 H new ATOM 1277 N THR A 86 6.478 -8.656 -4.789 1.00 0.00 N ATOM 1278 CA THR A 86 7.520 -9.081 -3.813 1.00 0.00 C ATOM 1279 C THR A 86 7.157 -10.453 -3.237 1.00 0.00 C ATOM 1280 O THR A 86 7.951 -11.091 -2.576 1.00 0.00 O ATOM 1281 CB THR A 86 7.502 -8.008 -2.719 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.254 -6.883 -3.150 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.111 -8.568 -1.431 1.00 0.00 C ATOM 0 H THR A 86 5.956 -7.819 -4.530 1.00 0.00 H new ATOM 0 HA THR A 86 8.507 -9.174 -4.266 1.00 0.00 H new ATOM 0 HB THR A 86 6.472 -7.708 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.664 -6.255 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.095 -7.800 -0.657 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.532 -9.430 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.140 -8.873 -1.618 1.00 0.00 H new ATOM 1291 N ALA A 87 5.961 -10.910 -3.492 1.00 0.00 N ATOM 1292 CA ALA A 87 5.542 -12.241 -2.966 1.00 0.00 C ATOM 1293 C ALA A 87 5.961 -13.345 -3.939 1.00 0.00 C ATOM 1294 O ALA A 87 6.255 -14.456 -3.544 1.00 0.00 O ATOM 1295 CB ALA A 87 4.016 -12.162 -2.863 1.00 0.00 C ATOM 0 H ALA A 87 5.256 -10.419 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 87 6.002 -12.473 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.628 -13.106 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.738 -11.355 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.594 -11.968 -3.849 1.00 0.00 H new ATOM 1301 N GLY A 88 5.993 -13.045 -5.207 1.00 0.00 N ATOM 1302 CA GLY A 88 6.397 -14.071 -6.210 1.00 0.00 C ATOM 1303 C GLY A 88 5.537 -15.325 -6.041 1.00 0.00 C ATOM 1304 O GLY A 88 6.013 -16.363 -5.625 1.00 0.00 O ATOM 0 H GLY A 88 5.756 -12.131 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.282 -13.673 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.450 -14.321 -6.084 1.00 0.00 H new ATOM 1308 N ALA A 89 4.276 -15.239 -6.363 1.00 0.00 N ATOM 1309 CA ALA A 89 3.389 -16.430 -6.222 1.00 0.00 C ATOM 1310 C ALA A 89 3.685 -17.158 -4.911 1.00 0.00 C ATOM 1311 O ALA A 89 4.020 -18.326 -4.896 1.00 0.00 O ATOM 1312 CB ALA A 89 3.731 -17.319 -7.408 1.00 0.00 C ATOM 0 H ALA A 89 3.821 -14.398 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 89 2.334 -16.157 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.118 -18.220 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.536 -16.780 -8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.785 -17.595 -7.364 1.00 0.00 H new ATOM 1318 N ASP A 90 3.560 -16.474 -3.816 1.00 0.00 N ATOM 1319 CA ASP A 90 3.825 -17.102 -2.500 1.00 0.00 C ATOM 1320 C ASP A 90 2.624 -16.882 -1.586 1.00 0.00 C ATOM 1321 O ASP A 90 2.559 -15.929 -0.834 1.00 0.00 O ATOM 1322 CB ASP A 90 5.058 -16.382 -1.970 1.00 0.00 C ATOM 1323 CG ASP A 90 5.400 -16.906 -0.573 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.647 -17.722 -0.066 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.409 -16.482 -0.034 1.00 0.00 O ATOM 0 H ASP A 90 3.282 -15.493 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 90 3.987 -18.178 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.900 -16.538 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.876 -15.308 -1.932 1.00 0.00 H new ATOM 1330 N ALA A 91 1.668 -17.755 -1.669 1.00 0.00 N ATOM 1331 CA ALA A 91 0.440 -17.622 -0.829 1.00 0.00 C ATOM 1332 C ALA A 91 0.799 -17.101 0.563 1.00 0.00 C ATOM 1333 O ALA A 91 0.017 -16.429 1.204 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.135 -19.037 -0.742 1.00 0.00 C ATOM 0 H ALA A 91 1.679 -18.566 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.274 -16.916 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.043 -19.024 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.370 -19.396 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.598 -19.700 -0.281 1.00 0.00 H new ATOM 1340 N ALA A 92 1.982 -17.384 1.028 1.00 0.00 N ATOM 1341 CA ALA A 92 2.389 -16.878 2.368 1.00 0.00 C ATOM 1342 C ALA A 92 2.724 -15.396 2.246 1.00 0.00 C ATOM 1343 O ALA A 92 2.298 -14.578 3.037 1.00 0.00 O ATOM 1344 CB ALA A 92 3.629 -17.688 2.748 1.00 0.00 C ATOM 0 H ALA A 92 2.683 -17.942 0.541 1.00 0.00 H new ATOM 0 HA ALA A 92 1.609 -16.984 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.986 -17.369 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.375 -18.747 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.411 -17.526 2.006 1.00 0.00 H new ATOM 1350 N LYS A 93 3.473 -15.049 1.242 1.00 0.00 N ATOM 1351 CA LYS A 93 3.832 -13.625 1.032 1.00 0.00 C ATOM 1352 C LYS A 93 2.656 -12.893 0.384 1.00 0.00 C ATOM 1353 O LYS A 93 2.480 -11.703 0.556 1.00 0.00 O ATOM 1354 CB LYS A 93 5.026 -13.670 0.084 1.00 0.00 C ATOM 1355 CG LYS A 93 6.319 -13.629 0.893 1.00 0.00 C ATOM 1356 CD LYS A 93 7.480 -13.225 -0.017 1.00 0.00 C ATOM 1357 CE LYS A 93 8.790 -13.775 0.552 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.093 -14.976 -0.276 1.00 0.00 N ATOM 0 H LYS A 93 3.855 -15.697 0.553 1.00 0.00 H new ATOM 0 HA LYS A 93 4.066 -13.101 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.991 -14.577 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.989 -12.826 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.224 -12.919 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.514 -14.606 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.318 -13.611 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.533 -12.139 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.590 -13.038 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.684 -14.037 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.911 -15.477 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.268 -15.610 -0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.312 -14.681 -1.249 1.00 0.00 H new ATOM 1372 N LYS A 94 1.841 -13.599 -0.350 1.00 0.00 N ATOM 1373 CA LYS A 94 0.669 -12.943 -0.994 1.00 0.00 C ATOM 1374 C LYS A 94 -0.391 -12.647 0.067 1.00 0.00 C ATOM 1375 O LYS A 94 -1.171 -11.724 -0.057 1.00 0.00 O ATOM 1376 CB LYS A 94 0.150 -13.956 -2.015 1.00 0.00 C ATOM 1377 CG LYS A 94 0.538 -13.503 -3.424 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.472 -14.049 -4.434 1.00 0.00 C ATOM 1379 CE LYS A 94 0.159 -14.060 -5.829 1.00 0.00 C ATOM 1380 NZ LYS A 94 -0.400 -15.271 -6.494 1.00 0.00 N ATOM 0 H LYS A 94 1.935 -14.598 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 94 0.925 -11.997 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.568 -14.942 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.933 -14.046 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.564 -12.414 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.540 -13.857 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.776 -15.057 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.372 -13.433 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.091 -13.155 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.246 -14.108 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.014 -15.348 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.141 -16.118 -5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.436 -15.194 -6.542 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.414 -13.422 1.116 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.408 -13.188 2.199 1.00 0.00 C ATOM 1396 C LYS A 95 -0.877 -12.123 3.160 1.00 0.00 C ATOM 1397 O LYS A 95 -1.621 -11.482 3.874 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.547 -14.540 2.906 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.375 -14.747 3.869 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.862 -14.585 5.311 1.00 0.00 C ATOM 1401 CE LYS A 95 0.307 -14.804 6.274 1.00 0.00 C ATOM 1402 NZ LYS A 95 0.284 -16.262 6.578 1.00 0.00 N ATOM 0 H LYS A 95 0.215 -14.210 1.269 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.367 -12.832 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.489 -14.579 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.571 -15.344 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.054 -15.739 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.414 -14.026 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.283 -13.590 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.657 -15.300 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.253 -14.510 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.189 -14.209 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.058 -16.492 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.626 -16.511 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.405 -16.802 5.698 1.00 0.00 H new ATOM 1416 N GLU A 96 0.413 -11.933 3.172 1.00 0.00 N ATOM 1417 CA GLU A 96 1.021 -10.915 4.074 1.00 0.00 C ATOM 1418 C GLU A 96 1.235 -9.613 3.307 1.00 0.00 C ATOM 1419 O GLU A 96 0.971 -8.532 3.794 1.00 0.00 O ATOM 1420 CB GLU A 96 2.361 -11.523 4.481 1.00 0.00 C ATOM 1421 CG GLU A 96 3.315 -11.526 3.296 1.00 0.00 C ATOM 1422 CD GLU A 96 4.688 -12.025 3.754 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.742 -13.091 4.345 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.661 -11.333 3.504 1.00 0.00 O ATOM 0 H GLU A 96 1.078 -12.444 2.591 1.00 0.00 H new ATOM 0 HA GLU A 96 0.396 -10.681 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.793 -10.953 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.213 -12.541 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.928 -12.167 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.400 -10.522 2.880 1.00 0.00 H new ATOM 1431 N LEU A 97 1.720 -9.723 2.110 1.00 0.00 N ATOM 1432 CA LEU A 97 1.972 -8.513 1.278 1.00 0.00 C ATOM 1433 C LEU A 97 0.669 -7.992 0.671 1.00 0.00 C ATOM 1434 O LEU A 97 0.251 -6.883 0.937 1.00 0.00 O ATOM 1435 CB LEU A 97 2.918 -8.994 0.185 1.00 0.00 C ATOM 1436 CG LEU A 97 4.195 -9.535 0.827 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.269 -9.680 -0.242 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.679 -8.563 1.906 1.00 0.00 C ATOM 0 H LEU A 97 1.957 -10.608 1.663 1.00 0.00 H new ATOM 0 HA LEU A 97 2.390 -7.691 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.439 -9.771 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.157 -8.174 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 97 3.993 -10.505 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.183 -10.066 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.925 -10.371 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.469 -8.707 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.590 -8.950 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.884 -7.592 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.909 -8.454 2.669 1.00 0.00 H new ATOM 1450 N THR A 98 0.027 -8.770 -0.147 1.00 0.00 N ATOM 1451 CA THR A 98 -1.240 -8.292 -0.771 1.00 0.00 C ATOM 1452 C THR A 98 -2.450 -8.711 0.057 1.00 0.00 C ATOM 1453 O THR A 98 -3.520 -8.148 -0.068 1.00 0.00 O ATOM 1454 CB THR A 98 -1.283 -8.947 -2.146 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.080 -10.347 -2.012 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.182 -8.351 -3.020 1.00 0.00 C ATOM 0 H THR A 98 0.319 -9.711 -0.412 1.00 0.00 H new ATOM 0 HA THR A 98 -1.270 -7.204 -0.834 1.00 0.00 H new ATOM 0 HB THR A 98 -2.254 -8.767 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.280 -10.620 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.208 -8.816 -4.005 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.339 -7.277 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.788 -8.534 -2.558 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.300 -9.682 0.904 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.454 -10.106 1.729 1.00 0.00 C ATOM 1466 C GLY A 99 -4.079 -8.866 2.362 1.00 0.00 C ATOM 1467 O GLY A 99 -3.418 -8.087 3.011 1.00 0.00 O ATOM 0 H GLY A 99 -1.434 -10.198 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.187 -10.628 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.131 -10.804 2.502 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.345 -8.667 2.174 1.00 0.00 N ATOM 1472 CA CYS A 100 -5.990 -7.468 2.781 1.00 0.00 C ATOM 1473 C CYS A 100 -6.261 -7.729 4.251 1.00 0.00 C ATOM 1474 O CYS A 100 -5.722 -7.084 5.117 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.321 -7.255 2.060 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.336 -8.089 0.444 1.00 0.00 S ATOM 0 H CYS A 100 -5.962 -9.273 1.633 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.346 -6.594 2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.136 -7.635 2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.496 -6.188 1.923 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.101 -8.672 4.537 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.411 -8.968 5.960 1.00 0.00 C ATOM 1483 C LYS A 101 -6.604 -10.180 6.436 1.00 0.00 C ATOM 1484 O LYS A 101 -6.805 -11.288 5.981 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.910 -9.269 5.989 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.247 -10.294 4.904 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.213 -11.338 5.468 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.335 -11.598 4.459 1.00 0.00 C ATOM 1489 NZ LYS A 101 -12.361 -12.372 5.214 1.00 0.00 N ATOM 0 H LYS A 101 -7.587 -9.251 3.853 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.154 -8.139 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.195 -9.653 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.479 -8.353 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.695 -9.795 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.336 -10.779 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.680 -12.264 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.632 -10.988 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.747 -10.664 4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.970 -12.160 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.163 -12.588 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.942 -13.259 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.695 -11.809 6.022 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.693 -9.977 7.347 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.875 -11.115 7.851 1.00 0.00 C ATOM 1505 C GLY A 102 -3.441 -10.986 7.332 1.00 0.00 C ATOM 1506 O GLY A 102 -2.584 -11.789 7.644 1.00 0.00 O ATOM 0 H GLY A 102 -5.480 -9.071 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.879 -11.124 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.308 -12.060 7.523 1.00 0.00 H new ATOM 1510 N SER A 103 -3.172 -9.983 6.540 1.00 0.00 N ATOM 1511 CA SER A 103 -1.794 -9.807 6.002 1.00 0.00 C ATOM 1512 C SER A 103 -0.933 -9.019 6.989 1.00 0.00 C ATOM 1513 O SER A 103 -1.153 -9.039 8.184 1.00 0.00 O ATOM 1514 CB SER A 103 -1.972 -9.011 4.713 1.00 0.00 C ATOM 1515 OG SER A 103 -2.560 -7.754 5.020 1.00 0.00 O ATOM 0 H SER A 103 -3.847 -9.279 6.243 1.00 0.00 H new ATOM 0 HA SER A 103 -1.297 -10.762 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.008 -8.866 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.604 -9.561 4.015 1.00 0.00 H new ATOM 0 HG SER A 103 -2.978 -7.383 4.215 1.00 0.00 H new ATOM 1521 N LYS A 104 0.041 -8.315 6.488 1.00 0.00 N ATOM 1522 CA LYS A 104 0.923 -7.507 7.367 1.00 0.00 C ATOM 1523 C LYS A 104 0.507 -6.051 7.276 1.00 0.00 C ATOM 1524 O LYS A 104 0.724 -5.256 8.169 1.00 0.00 O ATOM 1525 CB LYS A 104 2.310 -7.678 6.767 1.00 0.00 C ATOM 1526 CG LYS A 104 2.755 -9.134 6.900 1.00 0.00 C ATOM 1527 CD LYS A 104 3.476 -9.327 8.235 1.00 0.00 C ATOM 1528 CE LYS A 104 4.574 -10.380 8.075 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.774 -10.937 9.442 1.00 0.00 N ATOM 0 H LYS A 104 0.265 -8.266 5.494 1.00 0.00 H new ATOM 0 HA LYS A 104 0.879 -7.810 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.301 -7.385 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.019 -7.024 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.891 -9.796 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.416 -9.400 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.908 -8.383 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.767 -9.639 9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.276 -11.157 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.493 -9.937 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.514 -11.667 9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.063 -10.175 10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.885 -11.358 9.779 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.068 -5.706 6.167 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.493 -4.308 5.935 1.00 0.00 C ATOM 1545 C CYS A 105 -1.820 -4.012 6.643 1.00 0.00 C ATOM 1546 O CYS A 105 -2.107 -2.883 6.989 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.654 -4.235 4.420 1.00 0.00 C ATOM 1548 SG CYS A 105 0.108 -2.713 3.802 1.00 0.00 S ATOM 0 H CYS A 105 -0.265 -6.346 5.398 1.00 0.00 H new ATOM 0 HA CYS A 105 0.217 -3.578 6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.189 -5.103 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.711 -4.258 4.155 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.630 -5.010 6.865 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.934 -4.770 7.553 1.00 0.00 C ATOM 1555 C HIS A 106 -4.012 -5.595 8.840 1.00 0.00 C ATOM 1556 O HIS A 106 -4.757 -6.550 8.933 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.998 -5.227 6.554 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.358 -4.083 5.644 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.362 -2.772 6.092 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.675 -4.026 4.303 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.661 -1.983 5.045 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.853 -2.689 3.928 1.00 0.00 N ATOM 0 H HIS A 106 -2.448 -5.979 6.602 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.066 -3.726 7.838 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.625 -6.068 5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.884 -5.576 7.085 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.172 -2.461 7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.771 -4.878 3.646 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.737 -0.907 5.101 1.00 0.00 H new ATOM 1570 N SER A 107 -3.249 -5.234 9.836 1.00 0.00 N ATOM 1571 CA SER A 107 -3.282 -5.998 11.116 1.00 0.00 C ATOM 1572 C SER A 107 -4.267 -5.355 12.095 1.00 0.00 C ATOM 1573 O SER A 107 -4.909 -4.391 11.711 1.00 0.00 O ATOM 1574 CB SER A 107 -1.858 -5.918 11.662 1.00 0.00 C ATOM 1575 OG SER A 107 -1.100 -7.008 11.155 1.00 0.00 O ATOM 1576 OXT SER A 107 -4.362 -5.836 13.212 1.00 0.00 O ATOM 0 H SER A 107 -2.605 -4.444 9.819 1.00 0.00 H new ATOM 0 HA SER A 107 -3.607 -7.028 10.971 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.397 -4.974 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.872 -5.945 12.752 1.00 0.00 H new ATOM 0 HG SER A 107 -0.185 -6.959 11.502 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.265 6.640 3.459 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.818 8.094 5.265 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.437 9.011 4.538 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.780 5.090 1.820 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.083 4.381 2.291 1.00 0.00 C HETATM 1588 NA HEC A 201 9.143 8.206 4.594 1.00 0.00 N HETATM 1589 C1A HEC A 201 8.048 8.653 5.298 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.364 9.746 6.164 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.658 10.001 5.995 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.141 9.077 4.986 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.412 10.971 6.876 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.432 10.468 7.123 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.626 11.528 6.375 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.399 12.848 6.366 1.00 0.00 C HETATM 1597 O1A HEC A 201 6.931 13.782 5.735 1.00 0.00 O HETATM 1598 O2A HEC A 201 8.448 12.903 6.988 1.00 0.00 O HETATM 1599 NB HEC A 201 11.163 6.967 3.241 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.918 8.010 3.736 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.301 7.903 3.339 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.402 6.788 2.596 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.080 6.219 2.531 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.426 8.860 3.692 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.666 6.227 1.968 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.681 5.751 3.011 1.00 0.00 C HETATM 1607 NC HEC A 201 9.411 5.064 2.340 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.534 4.535 1.741 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.218 3.383 0.935 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.889 3.229 1.031 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.396 4.256 1.907 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.191 2.519 0.150 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.022 2.209 0.328 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.513 0.778 0.553 1.00 0.00 C HETATM 1615 ND HEC A 201 7.369 6.318 3.714 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.606 5.309 3.184 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.281 5.301 3.765 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.220 6.343 4.609 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.499 6.984 4.546 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.194 4.266 3.574 1.00 0.00 C HETATM 1621 CAD HEC A 201 4.086 6.682 5.561 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.917 5.557 6.586 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.841 5.944 7.604 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.398 5.067 8.327 1.00 0.00 O HETATM 1625 O2D HEC A 201 2.479 7.107 7.642 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.933 4.204 2.518 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.552 3.295 3.917 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.314 4.552 4.149 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.708 3.132 -0.588 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.920 2.080 0.832 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.644 1.724 -0.357 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.192 9.854 3.310 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.539 8.905 4.775 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.356 8.509 3.245 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.960 11.960 6.798 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.367 10.633 7.911 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.452 11.021 6.555 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 3.638 4.632 6.082 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.863 5.371 7.095 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.529 0.678 0.172 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.502 0.553 1.619 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.858 0.082 0.029 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.967 6.588 3.648 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.234 4.966 3.622 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.565 5.360 2.507 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.434 11.200 5.353 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.656 11.666 6.853 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.295 7.623 6.071 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.160 6.821 5.003 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.758 9.753 7.594 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 8.009 10.935 7.921 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.363 3.690 1.853 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.590 4.600 1.280 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.124 9.802 4.838 1.00 0.00 H new HETATM 0 HHA HEC A 201 6.030 8.563 5.853 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.885 8.485 -5.494 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.777 8.005 -8.633 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.785 5.168 -5.033 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.124 8.891 -2.410 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.657 11.811 -5.929 1.00 0.00 C HETATM 1663 NA HEC A 202 2.395 6.971 -6.563 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.827 6.956 -7.799 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.240 5.698 -8.099 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.571 4.876 -7.112 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.312 5.662 -6.185 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.163 3.431 -6.956 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.359 5.378 -9.273 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.732 6.424 -9.501 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.553 6.051 -10.735 1.00 0.00 C HETATM 1672 O1A HEC A 202 -2.709 6.438 -10.794 1.00 0.00 O HETATM 1673 O2A HEC A 202 -1.012 5.384 -11.603 1.00 0.00 O HETATM 1674 NB HEC A 202 3.414 7.297 -4.082 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.316 5.926 -4.050 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.712 5.372 -2.798 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.064 6.400 -2.024 1.00 0.00 C HETATM 1678 C4B HEC A 202 3.900 7.606 -2.832 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.698 3.902 -2.418 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.474 6.213 -0.576 1.00 0.00 C HETATM 1681 CBB HEC A 202 5.969 5.952 -0.407 1.00 0.00 C HETATM 1682 NC HEC A 202 3.326 10.020 -4.413 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.873 10.026 -3.152 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.018 11.368 -2.659 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.501 12.177 -3.605 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.123 11.346 -4.714 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.642 11.792 -1.340 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.188 13.637 -3.429 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.446 14.495 -3.259 1.00 0.00 C HETATM 1690 ND HEC A 202 2.345 9.643 -6.958 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.321 11.016 -7.003 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.093 11.480 -8.365 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.994 10.375 -9.132 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.062 9.271 -8.246 1.00 0.00 C HETATM 1695 CMD HEC A 202 1.996 12.906 -8.870 1.00 0.00 C HETATM 1696 CAD HEC A 202 2.053 10.223 -10.643 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.385 10.746 -11.174 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.252 11.075 -12.662 1.00 0.00 C HETATM 1699 O1D HEC A 202 4.137 10.698 -13.413 1.00 0.00 O HETATM 1700 O2D HEC A 202 2.268 11.697 -13.025 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.171 13.414 -8.370 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.927 13.431 -8.658 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.820 12.900 -9.946 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.090 11.342 -0.515 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.680 11.461 -1.305 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.605 12.878 -1.252 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.681 3.517 -2.492 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.347 3.345 -3.094 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.056 3.787 -1.395 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.076 3.363 -6.904 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.522 2.857 -7.810 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.596 3.028 -6.041 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.684 11.636 -10.620 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.165 10.000 -11.025 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 4.996 14.163 -2.379 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.078 14.393 -4.141 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.160 15.540 -3.136 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.244 5.046 -0.948 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.533 6.796 -0.804 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.199 5.827 0.651 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.379 6.485 -8.626 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.283 7.408 -9.635 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.931 9.175 -10.915 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.230 10.770 -11.103 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 0.973 5.299 -10.170 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.105 4.404 -9.118 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.547 12.889 -6.047 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.533 9.026 -1.409 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.738 4.090 -4.880 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.494 7.830 -9.671 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.807 -3.372 2.140 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.678 -6.009 4.053 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.582 -2.385 4.466 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.052 -0.641 0.309 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.189 -4.209 -0.108 1.00 0.00 C HETATM 1738 NA HEC A 203 5.247 -4.053 3.875 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.698 -5.174 4.533 1.00 0.00 C HETATM 1740 C2A HEC A 203 4.988 -5.363 5.774 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.098 -4.367 5.873 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.272 -3.546 4.705 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.087 -4.198 6.991 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.160 -6.465 6.800 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.636 -6.815 6.997 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.871 -7.237 8.449 1.00 0.00 C HETATM 1747 O1A HEC A 203 7.401 -8.316 8.652 1.00 0.00 O HETATM 1748 O2A HEC A 203 6.516 -6.473 9.332 1.00 0.00 O HETATM 1749 NB HEC A 203 4.650 -1.824 2.378 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.779 -1.565 3.403 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.059 -0.333 3.206 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.486 0.149 2.031 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.467 -0.765 1.534 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.012 0.274 4.123 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.914 1.283 1.224 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.821 2.516 1.151 1.00 0.00 C HETATM 1757 NC HEC A 203 6.430 -2.629 0.455 1.00 0.00 N HETATM 1758 C1C HEC A 203 5.970 -1.511 -0.198 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.618 -1.326 -1.464 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.505 -2.329 -1.578 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.404 -3.120 -0.381 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.331 -0.223 -2.470 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.403 -2.597 -2.762 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.923 -1.273 -3.324 1.00 0.00 C HETATM 1765 ND HEC A 203 7.105 -4.823 1.979 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.059 -5.006 1.001 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.912 -6.129 1.303 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.450 -6.666 2.442 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.340 -5.848 2.863 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.146 -6.586 0.545 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.003 -7.897 3.139 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.848 -9.138 2.255 1.00 0.00 C HETATM 1773 CGD HEC A 203 9.824 -10.220 2.720 1.00 0.00 C HETATM 1774 O1D HEC A 203 11.015 -9.958 2.714 1.00 0.00 O HETATM 1775 O2D HEC A 203 9.362 -11.293 3.071 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.872 -6.832 -0.481 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.887 -5.787 0.541 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.565 -7.467 1.030 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.290 -0.281 -2.787 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.516 0.747 -2.009 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 6.981 -0.343 -3.337 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.177 -0.419 4.231 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.453 0.466 5.101 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.654 1.211 3.696 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.430 -5.067 7.022 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.610 -4.104 7.943 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.494 -3.301 6.813 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.825 -9.509 2.307 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.041 -8.882 1.213 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.082 -0.657 -3.641 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.488 -0.748 -2.554 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.571 -1.470 -4.178 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 4.000 2.896 2.157 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.771 2.242 0.692 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.338 3.288 0.552 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.923 -7.621 6.322 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.260 -5.956 6.751 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.056 -7.744 3.377 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.482 -8.051 4.084 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.729 -6.151 7.750 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.613 -7.352 6.480 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.973 -4.460 -0.823 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.766 0.212 -0.307 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.816 -2.099 5.186 1.00 0.00 H new HETATM 0 HHA HEC A 203 6.951 -6.867 4.667 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.836 -1.758 1.948 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.539 1.221 3.380 1.00 0.00 C HETATM 1810 CHB HEC A 204 -9.085 -2.229 1.304 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.099 -4.857 0.858 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.550 -1.150 2.385 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.446 -0.778 2.344 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.573 0.435 2.984 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.930 0.876 3.069 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.670 -0.073 2.460 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.741 -1.100 2.011 1.00 0.00 C HETATM 1818 CMA HEC A 204 -11.172 -0.019 2.223 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.387 2.190 3.692 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.252 2.982 2.714 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.580 4.351 3.314 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.209 5.345 2.710 1.00 0.00 O HETATM 1823 O2A HEC A 204 -11.197 4.383 4.366 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.857 -3.199 1.208 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.200 -3.205 0.901 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.555 -4.383 0.141 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.423 -5.109 0.053 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.391 -4.395 0.730 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.917 -4.728 -0.435 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.231 -6.517 -0.443 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.782 -6.529 -1.901 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.204 -2.748 1.622 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.067 -4.074 1.280 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.704 -4.527 1.420 1.00 0.00 C HETATM 1835 C3C HEC A 204 -2.006 -3.448 1.795 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.919 -2.359 1.884 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.175 -5.943 1.281 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.578 -3.369 2.265 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.436 -3.289 1.125 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.789 -0.284 2.647 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.422 -0.172 2.740 1.00 0.00 C HETATM 1842 C2D HEC A 204 -3.017 1.072 3.342 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.155 1.731 3.604 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.234 0.890 3.199 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.599 1.521 3.655 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.292 3.126 4.166 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.868 3.167 5.632 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.649 4.266 6.352 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.295 5.422 6.185 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.586 3.935 7.058 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.139 0.816 4.347 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.017 1.557 2.734 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.623 2.512 4.108 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.658 -6.586 2.017 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.389 -6.315 0.279 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.098 -5.947 1.447 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.647 -4.796 0.372 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.223 -3.951 -1.136 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.860 -5.684 -0.955 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.689 0.058 3.180 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.413 0.850 1.610 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.492 -0.925 1.709 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.055 2.203 6.104 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.797 3.356 5.708 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.348 -4.176 0.497 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.241 -2.400 0.526 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.444 -3.235 1.537 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.537 -6.042 -2.518 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.837 -5.995 -1.995 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.651 -7.559 -2.233 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.728 3.105 1.766 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -11.172 2.437 2.502 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.680 3.817 3.587 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.325 3.460 4.073 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -9.951 1.989 4.603 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.519 2.783 3.979 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.485 -0.953 2.510 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.893 -5.898 0.610 1.00 0.00 H new HETATM 0 HHB HEC A 204 -10.135 -2.361 1.043 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.768 2.168 3.869 1.00 0.00 H new