USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 908 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 74 THR OG1 : rot 85:sc= 0.983 USER MOD Set 1.2: A 78 SER OG : rot 169:sc= 0.582 USER MOD Set 2.1: A 11 MET CE :methyl -138:sc= -8.11! (180deg=-11!) USER MOD Set 2.2: A 65 TYR OH : rot -86:sc= -1.67 USER MOD Set 2.3: A 69 MET CE :methyl 175:sc= -2.38 (180deg=-2.69!) USER MOD Set 3.1: A 16 GLN : amide:sc= -0.485 X(o=-0.43,f=-0.67) USER MOD Set 3.2: A 101 LYS NZ :NH3+ -115:sc= 0.0551 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0387 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 11:sc= -2.24! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -6.03! C(o=-6!,f=-5.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 79:sc= -1.28! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.58! K(o=-1.6!,f=0.54) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 14:sc= 0.215 USER MOD Single : A 44 GLN : amide:sc= -3.35! C(o=-3.4!,f=-5.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -52:sc= 1.08 USER MOD Single : A 54 ASN : amide:sc= -3.35! K(o=-3.3!,f=-1.6) USER MOD Single : A 55 MET CE :methyl 161:sc= -0.0195 (180deg=-0.578) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0.0517 (180deg=0.0265) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.327 (180deg=0.314) 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 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -14.7! C(o=-15!,f=-26!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= 1.25 (180deg=-2.55!) USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= 0.595! (180deg=0.0801!) USER MOD Single : A 86 THR OG1 : rot 91:sc= 0.855 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.183) USER MOD Single : A 98 THR OG1 : rot 19:sc= 0.682 USER MOD Single : A 103 SER OG : rot -157:sc= 0.618 USER MOD Single : A 104 LYS NZ :NH3+ -162:sc= 0.575 (180deg=0.151) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.183 14.891 2.291 1.00 0.00 N ATOM 2 CA ALA A 1 19.505 13.576 2.100 1.00 0.00 C ATOM 3 C ALA A 1 18.357 13.422 3.100 1.00 0.00 C ATOM 4 O ALA A 1 18.417 13.939 4.198 1.00 0.00 O ATOM 5 CB ALA A 1 20.589 12.530 2.361 1.00 0.00 C ATOM 0 H1 ALA A 1 21.204 14.783 2.124 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.793 15.583 1.620 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.025 15.225 3.263 1.00 0.00 H new ATOM 0 HA ALA A 1 19.073 13.475 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.168 11.532 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.406 12.668 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.967 12.644 3.377 1.00 0.00 H new ATOM 13 N PRO A 2 17.347 12.712 2.681 1.00 0.00 N ATOM 14 CA PRO A 2 16.166 12.480 3.549 1.00 0.00 C ATOM 15 C PRO A 2 16.500 11.490 4.661 1.00 0.00 C ATOM 16 O PRO A 2 17.052 10.434 4.420 1.00 0.00 O ATOM 17 CB PRO A 2 15.134 11.883 2.599 1.00 0.00 C ATOM 18 CG PRO A 2 15.932 11.267 1.495 1.00 0.00 C ATOM 19 CD PRO A 2 17.208 12.062 1.374 1.00 0.00 C ATOM 0 HA PRO A 2 15.819 13.388 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.518 11.138 3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.459 12.649 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.149 10.221 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.375 11.288 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.060 11.418 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.147 12.794 0.569 1.00 0.00 H new ATOM 27 N LYS A 3 16.159 11.811 5.877 1.00 0.00 N ATOM 28 CA LYS A 3 16.448 10.872 6.994 1.00 0.00 C ATOM 29 C LYS A 3 15.232 9.992 7.255 1.00 0.00 C ATOM 30 O LYS A 3 14.393 10.295 8.080 1.00 0.00 O ATOM 31 CB LYS A 3 16.729 11.741 8.204 1.00 0.00 C ATOM 32 CG LYS A 3 18.039 12.505 8.002 1.00 0.00 C ATOM 33 CD LYS A 3 18.991 12.202 9.161 1.00 0.00 C ATOM 34 CE LYS A 3 20.409 12.636 8.784 1.00 0.00 C ATOM 35 NZ LYS A 3 20.927 13.344 9.987 1.00 0.00 N ATOM 0 H LYS A 3 15.695 12.679 6.145 1.00 0.00 H new ATOM 0 HA LYS A 3 17.290 10.218 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.909 12.442 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.792 11.123 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.498 12.217 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.843 13.576 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.666 12.726 10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.974 11.137 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 3 21.031 11.777 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 3 20.403 13.291 7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 21.897 13.672 9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.319 14.161 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.928 12.694 10.799 1.00 0.00 H new ATOM 49 N ALA A 4 15.139 8.912 6.554 1.00 0.00 N ATOM 50 CA ALA A 4 13.983 7.989 6.739 1.00 0.00 C ATOM 51 C ALA A 4 13.636 7.873 8.225 1.00 0.00 C ATOM 52 O ALA A 4 14.511 7.770 9.061 1.00 0.00 O ATOM 53 CB ALA A 4 14.454 6.643 6.190 1.00 0.00 C ATOM 0 H ALA A 4 15.817 8.618 5.851 1.00 0.00 H new ATOM 0 HA ALA A 4 13.087 8.342 6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.655 5.909 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.716 6.751 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.328 6.308 6.749 1.00 0.00 H new ATOM 59 N PRO A 5 12.362 7.896 8.500 1.00 0.00 N ATOM 60 CA PRO A 5 11.887 7.795 9.895 1.00 0.00 C ATOM 61 C PRO A 5 11.972 6.354 10.393 1.00 0.00 C ATOM 62 O PRO A 5 12.083 5.422 9.622 1.00 0.00 O ATOM 63 CB PRO A 5 10.445 8.284 9.823 1.00 0.00 C ATOM 64 CG PRO A 5 10.013 8.077 8.400 1.00 0.00 C ATOM 65 CD PRO A 5 11.259 8.014 7.545 1.00 0.00 C ATOM 0 HA PRO A 5 12.485 8.378 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.808 7.726 10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.374 9.335 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.437 7.156 8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.367 8.892 8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.230 7.162 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.362 8.908 6.930 1.00 0.00 H new ATOM 73 N ALA A 6 11.933 6.170 11.681 1.00 0.00 N ATOM 74 CA ALA A 6 12.027 4.799 12.245 1.00 0.00 C ATOM 75 C ALA A 6 10.918 3.916 11.679 1.00 0.00 C ATOM 76 O ALA A 6 10.096 4.348 10.896 1.00 0.00 O ATOM 77 CB ALA A 6 11.850 4.980 13.753 1.00 0.00 C ATOM 0 H ALA A 6 11.839 6.916 12.371 1.00 0.00 H new ATOM 0 HA ALA A 6 12.973 4.316 11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.907 4.009 14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.638 5.628 14.137 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.879 5.432 13.954 1.00 0.00 H new ATOM 83 N ASP A 7 10.893 2.680 12.079 1.00 0.00 N ATOM 84 CA ASP A 7 9.848 1.750 11.586 1.00 0.00 C ATOM 85 C ASP A 7 8.605 1.866 12.466 1.00 0.00 C ATOM 86 O ASP A 7 8.653 2.383 13.564 1.00 0.00 O ATOM 87 CB ASP A 7 10.472 0.362 11.716 1.00 0.00 C ATOM 88 CG ASP A 7 11.911 0.395 11.196 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.112 0.893 10.101 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.786 -0.079 11.902 1.00 0.00 O ATOM 0 H ASP A 7 11.559 2.270 12.734 1.00 0.00 H new ATOM 0 HA ASP A 7 9.540 1.962 10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.458 0.042 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.887 -0.365 11.152 1.00 0.00 H new ATOM 95 N GLY A 8 7.497 1.383 11.994 1.00 0.00 N ATOM 96 CA GLY A 8 6.250 1.457 12.800 1.00 0.00 C ATOM 97 C GLY A 8 5.412 2.655 12.356 1.00 0.00 C ATOM 98 O GLY A 8 4.493 3.065 13.037 1.00 0.00 O ATOM 0 H GLY A 8 7.398 0.938 11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.676 0.538 12.683 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.496 1.547 13.858 1.00 0.00 H new ATOM 102 N LEU A 9 5.708 3.217 11.216 1.00 0.00 N ATOM 103 CA LEU A 9 4.904 4.378 10.745 1.00 0.00 C ATOM 104 C LEU A 9 3.453 3.950 10.610 1.00 0.00 C ATOM 105 O LEU A 9 3.139 3.014 9.907 1.00 0.00 O ATOM 106 CB LEU A 9 5.473 4.761 9.381 1.00 0.00 C ATOM 107 CG LEU A 9 5.752 6.262 9.364 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.016 6.527 8.546 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.575 7.006 8.727 1.00 0.00 C ATOM 0 H LEU A 9 6.464 2.926 10.596 1.00 0.00 H new ATOM 0 HA LEU A 9 4.948 5.220 11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.390 4.205 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.768 4.500 8.592 1.00 0.00 H new ATOM 0 HG LEU A 9 5.888 6.614 10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.221 7.597 8.530 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.858 6.003 8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.871 6.170 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.782 8.076 8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.434 6.656 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.670 6.816 9.304 1.00 0.00 H new ATOM 121 N LYS A 10 2.568 4.609 11.286 1.00 0.00 N ATOM 122 CA LYS A 10 1.140 4.204 11.195 1.00 0.00 C ATOM 123 C LYS A 10 0.382 5.067 10.193 1.00 0.00 C ATOM 124 O LYS A 10 0.146 6.239 10.411 1.00 0.00 O ATOM 125 CB LYS A 10 0.571 4.397 12.596 1.00 0.00 C ATOM 126 CG LYS A 10 0.487 3.040 13.300 1.00 0.00 C ATOM 127 CD LYS A 10 -0.458 3.143 14.499 1.00 0.00 C ATOM 128 CE LYS A 10 0.215 2.539 15.733 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.704 2.849 16.863 1.00 0.00 N ATOM 0 H LYS A 10 2.763 5.404 11.894 1.00 0.00 H new ATOM 0 HA LYS A 10 1.044 3.174 10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.203 5.077 13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.418 4.852 12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.129 2.280 12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.478 2.728 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.714 4.186 14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.390 2.619 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.354 1.464 15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.202 2.972 15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.310 2.466 17.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.812 3.880 16.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.633 2.418 16.683 1.00 0.00 H new ATOM 143 N MET A 11 -0.025 4.479 9.108 1.00 0.00 N ATOM 144 CA MET A 11 -0.802 5.235 8.093 1.00 0.00 C ATOM 145 C MET A 11 -2.262 5.251 8.529 1.00 0.00 C ATOM 146 O MET A 11 -2.936 4.246 8.482 1.00 0.00 O ATOM 147 CB MET A 11 -0.630 4.445 6.794 1.00 0.00 C ATOM 148 CG MET A 11 0.459 5.093 5.941 1.00 0.00 C ATOM 149 SD MET A 11 0.414 4.396 4.272 1.00 0.00 S ATOM 150 CE MET A 11 1.036 5.855 3.400 1.00 0.00 C ATOM 0 H MET A 11 0.148 3.500 8.879 1.00 0.00 H new ATOM 0 HA MET A 11 -0.474 6.267 7.970 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.365 3.412 7.017 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.571 4.421 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.310 6.172 5.900 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.437 4.923 6.391 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.465 6.002 2.483 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.931 6.733 4.038 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.088 5.710 3.153 1.00 0.00 H new ATOM 160 N ASP A 12 -2.749 6.369 8.984 1.00 0.00 N ATOM 161 CA ASP A 12 -4.166 6.412 9.452 1.00 0.00 C ATOM 162 C ASP A 12 -5.008 7.328 8.569 1.00 0.00 C ATOM 163 O ASP A 12 -6.122 7.678 8.904 1.00 0.00 O ATOM 164 CB ASP A 12 -4.094 6.960 10.874 1.00 0.00 C ATOM 165 CG ASP A 12 -3.053 8.079 10.947 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.020 8.890 10.037 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.307 8.105 11.912 1.00 0.00 O ATOM 0 H ASP A 12 -2.236 7.248 9.053 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.635 5.429 9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.070 7.339 11.177 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.832 6.162 11.568 1.00 0.00 H new ATOM 172 N LYS A 13 -4.492 7.715 7.446 1.00 0.00 N ATOM 173 CA LYS A 13 -5.268 8.602 6.541 1.00 0.00 C ATOM 174 C LYS A 13 -6.672 8.032 6.323 1.00 0.00 C ATOM 175 O LYS A 13 -7.614 8.752 6.056 1.00 0.00 O ATOM 176 CB LYS A 13 -4.481 8.594 5.237 1.00 0.00 C ATOM 177 CG LYS A 13 -3.348 9.616 5.326 1.00 0.00 C ATOM 178 CD LYS A 13 -3.930 10.996 5.639 1.00 0.00 C ATOM 179 CE LYS A 13 -3.128 12.070 4.900 1.00 0.00 C ATOM 180 NZ LYS A 13 -3.384 13.327 5.654 1.00 0.00 N ATOM 0 H LYS A 13 -3.564 7.457 7.111 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.394 9.607 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.076 7.600 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.138 8.834 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.640 9.324 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.797 9.647 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.977 11.037 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.900 11.180 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.065 11.828 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.450 12.159 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.867 14.111 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.403 13.535 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.061 13.215 6.636 1.00 0.00 H new ATOM 194 N THR A 14 -6.814 6.740 6.433 1.00 0.00 N ATOM 195 CA THR A 14 -8.154 6.110 6.229 1.00 0.00 C ATOM 196 C THR A 14 -8.650 5.461 7.525 1.00 0.00 C ATOM 197 O THR A 14 -7.966 5.454 8.529 1.00 0.00 O ATOM 198 CB THR A 14 -7.928 5.042 5.159 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.828 4.226 5.535 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.633 5.715 3.819 1.00 0.00 C ATOM 0 H THR A 14 -6.060 6.090 6.656 1.00 0.00 H new ATOM 0 HA THR A 14 -8.906 6.842 5.934 1.00 0.00 H new ATOM 0 HB THR A 14 -8.822 4.426 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.581 4.418 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.472 4.953 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.478 6.342 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.739 6.331 3.910 1.00 0.00 H new ATOM 208 N LYS A 15 -9.833 4.906 7.504 1.00 0.00 N ATOM 209 CA LYS A 15 -10.372 4.245 8.727 1.00 0.00 C ATOM 210 C LYS A 15 -9.546 2.997 9.036 1.00 0.00 C ATOM 211 O LYS A 15 -9.473 2.548 10.163 1.00 0.00 O ATOM 212 CB LYS A 15 -11.811 3.864 8.372 1.00 0.00 C ATOM 213 CG LYS A 15 -12.766 4.943 8.884 1.00 0.00 C ATOM 214 CD LYS A 15 -13.366 5.699 7.697 1.00 0.00 C ATOM 215 CE LYS A 15 -14.770 6.191 8.058 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.029 7.328 7.132 1.00 0.00 N ATOM 0 H LYS A 15 -10.449 4.882 6.692 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.332 4.888 9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.914 3.755 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.063 2.900 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.559 4.489 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.234 5.634 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.730 6.544 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.411 5.048 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.510 5.401 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.821 6.510 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.974 7.719 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.313 8.067 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.981 6.993 6.149 1.00 0.00 H new ATOM 230 N GLN A 16 -8.915 2.444 8.038 1.00 0.00 N ATOM 231 CA GLN A 16 -8.076 1.233 8.255 1.00 0.00 C ATOM 232 C GLN A 16 -6.600 1.637 8.247 1.00 0.00 C ATOM 233 O GLN A 16 -5.936 1.549 7.234 1.00 0.00 O ATOM 234 CB GLN A 16 -8.392 0.314 7.076 1.00 0.00 C ATOM 235 CG GLN A 16 -9.868 -0.083 7.119 1.00 0.00 C ATOM 236 CD GLN A 16 -10.004 -1.492 7.700 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.730 -2.312 7.173 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.332 -1.810 8.772 1.00 0.00 N ATOM 0 H GLN A 16 -8.945 2.781 7.076 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.277 0.742 9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.168 0.820 6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.764 -0.576 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.428 0.627 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.293 -0.050 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.723 -1.122 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.416 -2.746 9.167 1.00 0.00 H new ATOM 247 N PRO A 17 -6.144 2.091 9.383 1.00 0.00 N ATOM 248 CA PRO A 17 -4.738 2.544 9.517 1.00 0.00 C ATOM 249 C PRO A 17 -3.757 1.375 9.384 1.00 0.00 C ATOM 250 O PRO A 17 -3.944 0.320 9.959 1.00 0.00 O ATOM 251 CB PRO A 17 -4.689 3.145 10.921 1.00 0.00 C ATOM 252 CG PRO A 17 -5.806 2.479 11.656 1.00 0.00 C ATOM 253 CD PRO A 17 -6.886 2.221 10.641 1.00 0.00 C ATOM 0 HA PRO A 17 -4.449 3.252 8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.729 2.953 11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.822 4.227 10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.470 1.547 12.112 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.174 3.114 12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.447 1.316 10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.604 3.040 10.601 1.00 0.00 H new ATOM 261 N VAL A 18 -2.707 1.565 8.631 1.00 0.00 N ATOM 262 CA VAL A 18 -1.701 0.486 8.450 1.00 0.00 C ATOM 263 C VAL A 18 -0.321 0.978 8.891 1.00 0.00 C ATOM 264 O VAL A 18 0.061 2.101 8.630 1.00 0.00 O ATOM 265 CB VAL A 18 -1.707 0.197 6.952 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.455 -0.594 6.588 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.950 -0.620 6.594 1.00 0.00 C ATOM 0 H VAL A 18 -2.504 2.430 8.130 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.930 -0.401 9.041 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.721 1.136 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.455 -0.803 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.430 -0.012 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.444 -1.533 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.954 -0.826 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.938 -1.561 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.845 -0.056 6.858 1.00 0.00 H new ATOM 277 N VAL A 19 0.429 0.147 9.558 1.00 0.00 N ATOM 278 CA VAL A 19 1.782 0.568 10.015 1.00 0.00 C ATOM 279 C VAL A 19 2.839 0.220 8.960 1.00 0.00 C ATOM 280 O VAL A 19 2.965 -0.915 8.548 1.00 0.00 O ATOM 281 CB VAL A 19 2.027 -0.230 11.295 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.436 0.058 11.815 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.000 0.175 12.354 1.00 0.00 C ATOM 0 H VAL A 19 0.164 -0.806 9.807 1.00 0.00 H new ATOM 0 HA VAL A 19 1.844 1.644 10.179 1.00 0.00 H new ATOM 0 HB VAL A 19 1.929 -1.295 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.610 -0.511 12.728 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.168 -0.232 11.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.535 1.123 12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.175 -0.394 13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.097 1.240 12.566 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.004 -0.031 11.984 1.00 0.00 H new ATOM 293 N PHE A 20 3.611 1.185 8.526 1.00 0.00 N ATOM 294 CA PHE A 20 4.665 0.892 7.512 1.00 0.00 C ATOM 295 C PHE A 20 6.036 0.856 8.187 1.00 0.00 C ATOM 296 O PHE A 20 6.481 1.832 8.758 1.00 0.00 O ATOM 297 CB PHE A 20 4.610 2.038 6.498 1.00 0.00 C ATOM 298 CG PHE A 20 5.716 1.842 5.485 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.679 0.743 4.620 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.781 2.750 5.413 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.703 0.552 3.684 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.803 2.559 4.477 1.00 0.00 C ATOM 303 CZ PHE A 20 7.765 1.460 3.613 1.00 0.00 C ATOM 0 H PHE A 20 3.556 2.157 8.829 1.00 0.00 H new ATOM 0 HA PHE A 20 4.503 -0.073 7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.640 2.056 6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.726 2.996 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.860 0.041 4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.813 3.598 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.673 -0.297 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.622 3.261 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.555 1.312 2.891 1.00 0.00 H new ATOM 313 N ASN A 21 6.711 -0.257 8.127 1.00 0.00 N ATOM 314 CA ASN A 21 8.045 -0.347 8.765 1.00 0.00 C ATOM 315 C ASN A 21 9.140 -0.096 7.726 1.00 0.00 C ATOM 316 O ASN A 21 9.505 -0.976 6.972 1.00 0.00 O ATOM 317 CB ASN A 21 8.114 -1.779 9.281 1.00 0.00 C ATOM 318 CG ASN A 21 8.159 -1.777 10.809 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.100 -2.267 11.402 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.173 -1.244 11.479 1.00 0.00 N ATOM 0 H ASN A 21 6.393 -1.107 7.662 1.00 0.00 H new ATOM 0 HA ASN A 21 8.188 0.388 9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.248 -2.342 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.998 -2.277 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.193 -1.239 12.499 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.383 -0.832 10.983 1.00 0.00 H new ATOM 327 N HIS A 22 9.668 1.096 7.680 1.00 0.00 N ATOM 328 CA HIS A 22 10.739 1.387 6.687 1.00 0.00 C ATOM 329 C HIS A 22 11.811 0.298 6.757 1.00 0.00 C ATOM 330 O HIS A 22 12.385 -0.084 5.758 1.00 0.00 O ATOM 331 CB HIS A 22 11.323 2.735 7.109 1.00 0.00 C ATOM 332 CG HIS A 22 10.544 3.855 6.474 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.713 4.683 7.213 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.490 4.328 5.182 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.208 5.605 6.376 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.651 5.436 5.127 1.00 0.00 N ATOM 0 H HIS A 22 9.406 1.876 8.283 1.00 0.00 H new ATOM 0 HA HIS A 22 10.363 1.413 5.664 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.293 2.830 8.194 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.370 2.796 6.813 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.520 4.606 8.212 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.018 3.904 4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.527 6.387 6.676 1.00 0.00 H new ATOM 344 N SER A 23 12.075 -0.212 7.930 1.00 0.00 N ATOM 345 CA SER A 23 13.103 -1.283 8.058 1.00 0.00 C ATOM 346 C SER A 23 12.830 -2.379 7.028 1.00 0.00 C ATOM 347 O SER A 23 13.726 -2.859 6.363 1.00 0.00 O ATOM 348 CB SER A 23 12.939 -1.824 9.478 1.00 0.00 C ATOM 349 OG SER A 23 13.570 -3.093 9.573 1.00 0.00 O ATOM 0 H SER A 23 11.625 0.066 8.802 1.00 0.00 H new ATOM 0 HA SER A 23 14.115 -0.918 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.379 -1.132 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.881 -1.912 9.726 1.00 0.00 H new ATOM 0 HG SER A 23 13.468 -3.442 10.483 1.00 0.00 H new ATOM 355 N THR A 24 11.592 -2.771 6.884 1.00 0.00 N ATOM 356 CA THR A 24 11.257 -3.825 5.886 1.00 0.00 C ATOM 357 C THR A 24 11.399 -3.257 4.474 1.00 0.00 C ATOM 358 O THR A 24 11.307 -3.970 3.493 1.00 0.00 O ATOM 359 CB THR A 24 9.801 -4.201 6.172 1.00 0.00 C ATOM 360 OG1 THR A 24 9.287 -3.359 7.194 1.00 0.00 O ATOM 361 CG2 THR A 24 9.727 -5.660 6.625 1.00 0.00 C ATOM 0 H THR A 24 10.800 -2.407 7.414 1.00 0.00 H new ATOM 0 HA THR A 24 11.915 -4.691 5.956 1.00 0.00 H new ATOM 0 HB THR A 24 9.209 -4.075 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.046 -2.490 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.690 -5.926 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.120 -6.305 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.319 -5.790 7.531 1.00 0.00 H new ATOM 369 N HIS A 25 11.613 -1.975 4.366 1.00 0.00 N ATOM 370 CA HIS A 25 11.749 -1.347 3.031 1.00 0.00 C ATOM 371 C HIS A 25 13.108 -0.657 2.900 1.00 0.00 C ATOM 372 O HIS A 25 13.479 -0.196 1.838 1.00 0.00 O ATOM 373 CB HIS A 25 10.606 -0.345 2.992 1.00 0.00 C ATOM 374 CG HIS A 25 9.323 -1.088 3.221 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.828 -1.328 4.493 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.443 -1.684 2.357 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.697 -2.043 4.358 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.420 -2.289 3.077 1.00 0.00 N ATOM 0 H HIS A 25 11.700 -1.334 5.155 1.00 0.00 H new ATOM 0 HA HIS A 25 11.702 -2.061 2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.744 0.419 3.757 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.582 0.167 2.030 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.245 -1.019 5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.531 -1.684 1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.088 -2.377 5.185 1.00 0.00 H new ATOM 386 N LYS A 26 13.859 -0.591 3.964 1.00 0.00 N ATOM 387 CA LYS A 26 15.197 0.059 3.887 1.00 0.00 C ATOM 388 C LYS A 26 15.989 -0.553 2.730 1.00 0.00 C ATOM 389 O LYS A 26 16.907 0.045 2.204 1.00 0.00 O ATOM 390 CB LYS A 26 15.869 -0.249 5.226 1.00 0.00 C ATOM 391 CG LYS A 26 16.156 -1.748 5.324 1.00 0.00 C ATOM 392 CD LYS A 26 16.549 -2.101 6.759 1.00 0.00 C ATOM 393 CE LYS A 26 18.040 -1.828 6.963 1.00 0.00 C ATOM 394 NZ LYS A 26 18.699 -3.154 6.796 1.00 0.00 N ATOM 0 H LYS A 26 13.605 -0.958 4.881 1.00 0.00 H new ATOM 0 HA LYS A 26 15.136 1.133 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.797 0.316 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.224 0.062 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.276 -2.318 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.959 -2.021 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.961 -1.512 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.330 -3.150 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.413 -1.107 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.234 -1.412 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.726 -3.050 6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.329 -3.817 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.502 -3.522 5.843 1.00 0.00 H new ATOM 408 N ALA A 27 15.627 -1.740 2.325 1.00 0.00 N ATOM 409 CA ALA A 27 16.340 -2.396 1.194 1.00 0.00 C ATOM 410 C ALA A 27 15.603 -2.107 -0.115 1.00 0.00 C ATOM 411 O ALA A 27 16.051 -2.464 -1.186 1.00 0.00 O ATOM 412 CB ALA A 27 16.305 -3.892 1.514 1.00 0.00 C ATOM 0 H ALA A 27 14.866 -2.285 2.731 1.00 0.00 H new ATOM 0 HA ALA A 27 17.362 -2.034 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.813 -4.445 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.808 -4.073 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.269 -4.225 1.583 1.00 0.00 H new ATOM 418 N VAL A 28 14.476 -1.451 -0.032 1.00 0.00 N ATOM 419 CA VAL A 28 13.708 -1.123 -1.264 1.00 0.00 C ATOM 420 C VAL A 28 14.278 0.142 -1.890 1.00 0.00 C ATOM 421 O VAL A 28 15.187 0.748 -1.360 1.00 0.00 O ATOM 422 CB VAL A 28 12.273 -0.892 -0.786 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.442 -0.265 -1.906 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.649 -2.229 -0.383 1.00 0.00 C ATOM 0 H VAL A 28 14.055 -1.128 0.839 1.00 0.00 H new ATOM 0 HA VAL A 28 13.757 -1.910 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 28 12.288 -0.218 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.422 -0.104 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.881 0.690 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.429 -0.933 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.627 -2.065 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.642 -2.901 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.233 -2.675 0.422 1.00 0.00 H new ATOM 434 N LYS A 29 13.757 0.555 -3.006 1.00 0.00 N ATOM 435 CA LYS A 29 14.289 1.787 -3.632 1.00 0.00 C ATOM 436 C LYS A 29 13.539 3.000 -3.107 1.00 0.00 C ATOM 437 O LYS A 29 12.410 3.258 -3.469 1.00 0.00 O ATOM 438 CB LYS A 29 14.058 1.635 -5.124 1.00 0.00 C ATOM 439 CG LYS A 29 15.406 1.563 -5.835 1.00 0.00 C ATOM 440 CD LYS A 29 15.859 0.104 -5.931 1.00 0.00 C ATOM 441 CE LYS A 29 17.388 0.043 -5.913 1.00 0.00 C ATOM 442 NZ LYS A 29 17.739 -1.062 -6.849 1.00 0.00 N ATOM 0 H LYS A 29 12.994 0.098 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 29 15.346 1.928 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.479 0.734 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.478 2.477 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.326 1.996 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.147 2.149 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.452 -0.470 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.477 -0.347 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.825 0.988 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.764 -0.155 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.773 -1.166 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.315 -1.950 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.374 -0.842 -7.798 1.00 0.00 H new ATOM 456 N CYS A 30 14.169 3.744 -2.261 1.00 0.00 N ATOM 457 CA CYS A 30 13.508 4.959 -1.706 1.00 0.00 C ATOM 458 C CYS A 30 12.861 5.743 -2.847 1.00 0.00 C ATOM 459 O CYS A 30 11.930 6.499 -2.651 1.00 0.00 O ATOM 460 CB CYS A 30 14.630 5.775 -1.061 1.00 0.00 C ATOM 461 SG CYS A 30 14.981 5.122 0.591 1.00 0.00 S ATOM 0 H CYS A 30 15.116 3.571 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 30 12.728 4.720 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.527 5.731 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.339 6.823 -0.995 1.00 0.00 H new ATOM 466 N GLY A 31 13.350 5.560 -4.043 1.00 0.00 N ATOM 467 CA GLY A 31 12.773 6.281 -5.210 1.00 0.00 C ATOM 468 C GLY A 31 11.624 5.463 -5.803 1.00 0.00 C ATOM 469 O GLY A 31 10.859 5.948 -6.608 1.00 0.00 O ATOM 0 H GLY A 31 14.129 4.938 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.413 7.262 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.542 6.446 -5.964 1.00 0.00 H new ATOM 473 N ASP A 32 11.483 4.227 -5.407 1.00 0.00 N ATOM 474 CA ASP A 32 10.364 3.411 -5.953 1.00 0.00 C ATOM 475 C ASP A 32 9.080 3.792 -5.218 1.00 0.00 C ATOM 476 O ASP A 32 8.009 3.828 -5.789 1.00 0.00 O ATOM 477 CB ASP A 32 10.754 1.958 -5.685 1.00 0.00 C ATOM 478 CG ASP A 32 10.567 1.141 -6.962 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.636 1.429 -7.695 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.361 0.244 -7.189 1.00 0.00 O ATOM 0 H ASP A 32 12.087 3.752 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 32 10.191 3.570 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.791 1.903 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.140 1.547 -4.883 1.00 0.00 H new ATOM 485 N CYS A 33 9.196 4.118 -3.961 1.00 0.00 N ATOM 486 CA CYS A 33 8.001 4.549 -3.186 1.00 0.00 C ATOM 487 C CYS A 33 7.889 6.071 -3.302 1.00 0.00 C ATOM 488 O CYS A 33 6.902 6.600 -3.773 1.00 0.00 O ATOM 489 CB CYS A 33 8.284 4.128 -1.745 1.00 0.00 C ATOM 490 SG CYS A 33 8.005 2.349 -1.568 1.00 0.00 S ATOM 0 H CYS A 33 10.070 4.104 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 33 7.068 4.111 -3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.312 4.374 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.638 4.678 -1.061 1.00 0.00 H new ATOM 495 N HIS A 34 8.922 6.774 -2.910 1.00 0.00 N ATOM 496 CA HIS A 34 8.910 8.257 -3.034 1.00 0.00 C ATOM 497 C HIS A 34 9.471 8.632 -4.405 1.00 0.00 C ATOM 498 O HIS A 34 10.334 9.478 -4.519 1.00 0.00 O ATOM 499 CB HIS A 34 9.850 8.773 -1.943 1.00 0.00 C ATOM 500 CG HIS A 34 9.282 8.495 -0.578 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.135 9.117 -0.109 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.717 7.692 0.446 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.926 8.684 1.149 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.863 7.817 1.533 1.00 0.00 N ATOM 0 H HIS A 34 9.773 6.380 -2.509 1.00 0.00 H new ATOM 0 HA HIS A 34 7.909 8.676 -2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.825 8.296 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.005 9.845 -2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.556 9.781 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.591 7.059 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.101 9.000 1.770 1.00 0.00 H new ATOM 512 N HIS A 35 9.008 7.985 -5.442 1.00 0.00 N ATOM 513 CA HIS A 35 9.535 8.281 -6.806 1.00 0.00 C ATOM 514 C HIS A 35 9.841 9.772 -6.961 1.00 0.00 C ATOM 515 O HIS A 35 9.407 10.585 -6.170 1.00 0.00 O ATOM 516 CB HIS A 35 8.437 7.837 -7.772 1.00 0.00 C ATOM 517 CG HIS A 35 7.096 8.264 -7.262 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.625 9.530 -7.493 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.104 7.606 -6.564 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.402 9.618 -6.952 1.00 0.00 C ATOM 521 NE2 HIS A 35 5.028 8.472 -6.371 1.00 0.00 N ATOM 0 H HIS A 35 8.287 7.264 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 35 10.472 7.759 -7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.613 8.268 -8.757 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.462 6.754 -7.889 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.118 10.273 -7.989 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.153 6.583 -6.222 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.791 10.508 -6.981 1.00 0.00 H new ATOM 529 N PRO A 36 10.604 10.073 -7.976 1.00 0.00 N ATOM 530 CA PRO A 36 11.016 11.476 -8.245 1.00 0.00 C ATOM 531 C PRO A 36 9.816 12.353 -8.605 1.00 0.00 C ATOM 532 O PRO A 36 9.290 12.296 -9.699 1.00 0.00 O ATOM 533 CB PRO A 36 11.987 11.345 -9.417 1.00 0.00 C ATOM 534 CG PRO A 36 11.610 10.060 -10.078 1.00 0.00 C ATOM 535 CD PRO A 36 11.141 9.146 -8.978 1.00 0.00 C ATOM 0 HA PRO A 36 11.466 11.958 -7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.894 12.186 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.022 11.326 -9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.823 10.218 -10.816 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.461 9.629 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.380 8.450 -9.330 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.959 8.548 -8.576 1.00 0.00 H new ATOM 543 N VAL A 37 9.396 13.177 -7.686 1.00 0.00 N ATOM 544 CA VAL A 37 8.246 14.084 -7.950 1.00 0.00 C ATOM 545 C VAL A 37 8.713 15.535 -7.864 1.00 0.00 C ATOM 546 O VAL A 37 9.724 15.835 -7.262 1.00 0.00 O ATOM 547 CB VAL A 37 7.236 13.780 -6.844 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.165 14.872 -6.815 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.576 12.427 -7.116 1.00 0.00 C ATOM 0 H VAL A 37 9.805 13.261 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 37 7.814 13.937 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 37 7.749 13.749 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.445 14.655 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.634 15.837 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.652 14.904 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.855 12.209 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.064 12.459 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.338 11.648 -7.137 1.00 0.00 H new ATOM 559 N ASN A 38 7.982 16.440 -8.444 1.00 0.00 N ATOM 560 CA ASN A 38 8.389 17.869 -8.373 1.00 0.00 C ATOM 561 C ASN A 38 9.873 18.027 -8.718 1.00 0.00 C ATOM 562 O ASN A 38 10.506 18.991 -8.335 1.00 0.00 O ATOM 563 CB ASN A 38 8.154 18.232 -6.915 1.00 0.00 C ATOM 564 CG ASN A 38 8.097 19.752 -6.760 1.00 0.00 C ATOM 565 OD1 ASN A 38 9.001 20.451 -7.174 1.00 0.00 O ATOM 566 ND2 ASN A 38 7.067 20.298 -6.174 1.00 0.00 N ATOM 0 H ASN A 38 7.123 16.255 -8.963 1.00 0.00 H new ATOM 0 HA ASN A 38 7.838 18.499 -9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.222 17.787 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.953 17.824 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.021 21.311 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.308 19.712 -5.826 1.00 0.00 H new ATOM 573 N GLY A 39 10.442 17.086 -9.422 1.00 0.00 N ATOM 574 CA GLY A 39 11.884 17.191 -9.765 1.00 0.00 C ATOM 575 C GLY A 39 12.700 16.478 -8.688 1.00 0.00 C ATOM 576 O GLY A 39 13.887 16.264 -8.834 1.00 0.00 O ATOM 0 H GLY A 39 9.970 16.252 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.073 16.743 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.181 18.238 -9.832 1.00 0.00 H new ATOM 580 N LYS A 40 12.071 16.106 -7.601 1.00 0.00 N ATOM 581 CA LYS A 40 12.820 15.404 -6.517 1.00 0.00 C ATOM 582 C LYS A 40 11.906 14.410 -5.793 1.00 0.00 C ATOM 583 O LYS A 40 10.755 14.693 -5.527 1.00 0.00 O ATOM 584 CB LYS A 40 13.270 16.514 -5.565 1.00 0.00 C ATOM 585 CG LYS A 40 12.075 17.005 -4.746 1.00 0.00 C ATOM 586 CD LYS A 40 12.551 18.020 -3.704 1.00 0.00 C ATOM 587 CE LYS A 40 13.622 17.380 -2.818 1.00 0.00 C ATOM 588 NZ LYS A 40 13.995 18.440 -1.840 1.00 0.00 N ATOM 0 H LYS A 40 11.079 16.257 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 40 13.663 14.831 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.051 16.143 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.700 17.340 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.334 17.462 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.588 16.163 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.954 18.903 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.711 18.352 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.239 16.494 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.484 17.064 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.727 18.077 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.363 19.269 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.156 18.716 -1.290 1.00 0.00 H new ATOM 602 N GLU A 41 12.408 13.246 -5.470 1.00 0.00 N ATOM 603 CA GLU A 41 11.558 12.241 -4.766 1.00 0.00 C ATOM 604 C GLU A 41 11.010 12.828 -3.470 1.00 0.00 C ATOM 605 O GLU A 41 11.742 13.065 -2.529 1.00 0.00 O ATOM 606 CB GLU A 41 12.480 11.065 -4.447 1.00 0.00 C ATOM 607 CG GLU A 41 12.747 10.257 -5.717 1.00 0.00 C ATOM 608 CD GLU A 41 14.021 9.429 -5.537 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.036 8.588 -4.654 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.958 9.651 -6.285 1.00 0.00 O ATOM 0 H GLU A 41 13.365 12.949 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 41 10.709 11.940 -5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.420 11.430 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.024 10.428 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.902 9.602 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.853 10.926 -6.571 1.00 0.00 H new ATOM 617 N ASP A 42 9.731 13.050 -3.397 1.00 0.00 N ATOM 618 CA ASP A 42 9.160 13.603 -2.142 1.00 0.00 C ATOM 619 C ASP A 42 9.309 12.571 -1.029 1.00 0.00 C ATOM 620 O ASP A 42 8.538 11.640 -0.918 1.00 0.00 O ATOM 621 CB ASP A 42 7.690 13.855 -2.434 1.00 0.00 C ATOM 622 CG ASP A 42 7.556 14.971 -3.472 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.402 15.041 -4.349 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.612 15.737 -3.372 1.00 0.00 O ATOM 0 H ASP A 42 9.060 12.874 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 42 9.662 14.517 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.221 12.943 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.169 14.133 -1.518 1.00 0.00 H new ATOM 629 N TYR A 43 10.301 12.730 -0.209 1.00 0.00 N ATOM 630 CA TYR A 43 10.514 11.757 0.897 1.00 0.00 C ATOM 631 C TYR A 43 9.583 12.085 2.066 1.00 0.00 C ATOM 632 O TYR A 43 10.017 12.269 3.187 1.00 0.00 O ATOM 633 CB TYR A 43 11.977 11.933 1.309 1.00 0.00 C ATOM 634 CG TYR A 43 12.878 11.544 0.161 1.00 0.00 C ATOM 635 CD1 TYR A 43 13.018 10.197 -0.198 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.576 12.532 -0.546 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.855 9.840 -1.262 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.413 12.174 -1.610 1.00 0.00 C ATOM 639 CZ TYR A 43 14.552 10.827 -1.967 1.00 0.00 C ATOM 640 OH TYR A 43 15.377 10.474 -3.016 1.00 0.00 O ATOM 0 H TYR A 43 10.977 13.492 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 43 10.301 10.732 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.162 12.968 1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.196 11.317 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.480 9.434 0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.468 13.571 -0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.963 8.802 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.951 12.936 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 43 15.195 9.547 -3.277 1.00 0.00 H new ATOM 650 N GLN A 44 8.306 12.165 1.813 1.00 0.00 N ATOM 651 CA GLN A 44 7.347 12.490 2.910 1.00 0.00 C ATOM 652 C GLN A 44 6.161 11.525 2.886 1.00 0.00 C ATOM 653 O GLN A 44 6.058 10.675 2.026 1.00 0.00 O ATOM 654 CB GLN A 44 6.885 13.919 2.623 1.00 0.00 C ATOM 655 CG GLN A 44 6.548 14.060 1.137 1.00 0.00 C ATOM 656 CD GLN A 44 6.213 15.519 0.823 1.00 0.00 C ATOM 657 OE1 GLN A 44 6.295 15.942 -0.313 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.835 16.312 1.788 1.00 0.00 N ATOM 0 H GLN A 44 7.884 12.020 0.896 1.00 0.00 H new ATOM 0 HA GLN A 44 7.804 12.400 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.011 14.158 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.667 14.627 2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.391 13.731 0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.703 13.420 0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.766 15.958 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.609 17.286 1.588 1.00 0.00 H new ATOM 667 N LYS A 45 5.270 11.644 3.830 1.00 0.00 N ATOM 668 CA LYS A 45 4.101 10.723 3.866 1.00 0.00 C ATOM 669 C LYS A 45 3.500 10.563 2.472 1.00 0.00 C ATOM 670 O LYS A 45 3.319 11.518 1.743 1.00 0.00 O ATOM 671 CB LYS A 45 3.091 11.373 4.807 1.00 0.00 C ATOM 672 CG LYS A 45 2.952 12.860 4.475 1.00 0.00 C ATOM 673 CD LYS A 45 1.865 13.477 5.358 1.00 0.00 C ATOM 674 CE LYS A 45 2.322 14.854 5.843 1.00 0.00 C ATOM 675 NZ LYS A 45 1.506 15.124 7.059 1.00 0.00 N ATOM 0 H LYS A 45 5.301 12.338 4.577 1.00 0.00 H new ATOM 0 HA LYS A 45 4.387 9.728 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.124 10.879 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.413 11.251 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.901 13.371 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.697 12.987 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.934 13.567 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.662 12.828 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.387 14.858 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.158 15.616 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.763 16.053 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.497 15.121 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.688 14.387 7.770 1.00 0.00 H new ATOM 689 N CYS A 46 3.185 9.356 2.106 1.00 0.00 N ATOM 690 CA CYS A 46 2.587 9.107 0.769 1.00 0.00 C ATOM 691 C CYS A 46 1.331 9.956 0.581 1.00 0.00 C ATOM 692 O CYS A 46 1.068 10.470 -0.487 1.00 0.00 O ATOM 693 CB CYS A 46 2.221 7.625 0.792 1.00 0.00 C ATOM 694 SG CYS A 46 3.728 6.632 0.955 1.00 0.00 S ATOM 0 H CYS A 46 3.317 8.524 2.681 1.00 0.00 H new ATOM 0 HA CYS A 46 3.265 9.361 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.546 7.419 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.693 7.356 -0.123 1.00 0.00 H new ATOM 699 N ALA A 47 0.550 10.091 1.613 1.00 0.00 N ATOM 700 CA ALA A 47 -0.707 10.889 1.505 1.00 0.00 C ATOM 701 C ALA A 47 -0.492 12.324 1.988 1.00 0.00 C ATOM 702 O ALA A 47 -1.337 12.899 2.645 1.00 0.00 O ATOM 703 CB ALA A 47 -1.701 10.173 2.410 1.00 0.00 C ATOM 0 H ALA A 47 0.726 9.683 2.531 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.053 10.959 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.656 10.698 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.841 9.150 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.319 10.158 3.431 1.00 0.00 H new ATOM 709 N THR A 48 0.626 12.908 1.665 1.00 0.00 N ATOM 710 CA THR A 48 0.891 14.305 2.100 1.00 0.00 C ATOM 711 C THR A 48 -0.386 15.139 1.985 1.00 0.00 C ATOM 712 O THR A 48 -1.244 14.881 1.165 1.00 0.00 O ATOM 713 CB THR A 48 1.963 14.825 1.144 1.00 0.00 C ATOM 714 OG1 THR A 48 2.746 13.736 0.675 1.00 0.00 O ATOM 715 CG2 THR A 48 2.862 15.823 1.875 1.00 0.00 C ATOM 0 H THR A 48 1.370 12.476 1.117 1.00 0.00 H new ATOM 0 HA THR A 48 1.217 14.361 3.139 1.00 0.00 H new ATOM 0 HB THR A 48 1.486 15.321 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.068 13.212 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.626 16.193 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.261 16.659 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.340 15.330 2.721 1.00 0.00 H new ATOM 723 N ALA A 49 -0.512 16.131 2.812 1.00 0.00 N ATOM 724 CA ALA A 49 -1.730 16.994 2.781 1.00 0.00 C ATOM 725 C ALA A 49 -2.175 17.272 1.342 1.00 0.00 C ATOM 726 O ALA A 49 -3.337 17.510 1.080 1.00 0.00 O ATOM 727 CB ALA A 49 -1.310 18.294 3.470 1.00 0.00 C ATOM 0 H ALA A 49 0.179 16.388 3.516 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.575 16.515 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.153 18.985 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.995 18.079 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.483 18.745 2.922 1.00 0.00 H new ATOM 733 N GLY A 50 -1.268 17.249 0.407 1.00 0.00 N ATOM 734 CA GLY A 50 -1.656 17.519 -1.008 1.00 0.00 C ATOM 735 C GLY A 50 -1.054 16.453 -1.919 1.00 0.00 C ATOM 736 O GLY A 50 -0.346 16.750 -2.861 1.00 0.00 O ATOM 0 H GLY A 50 -0.278 17.056 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.742 17.521 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.307 18.507 -1.309 1.00 0.00 H new ATOM 740 N CYS A 51 -1.323 15.211 -1.640 1.00 0.00 N ATOM 741 CA CYS A 51 -0.761 14.119 -2.481 1.00 0.00 C ATOM 742 C CYS A 51 -1.732 12.932 -2.523 1.00 0.00 C ATOM 743 O CYS A 51 -2.855 13.061 -2.969 1.00 0.00 O ATOM 744 CB CYS A 51 0.545 13.755 -1.779 1.00 0.00 C ATOM 745 SG CYS A 51 1.775 13.272 -3.008 1.00 0.00 S ATOM 0 H CYS A 51 -1.909 14.903 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.600 14.409 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.908 14.604 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.377 12.939 -1.076 1.00 0.00 H new ATOM 750 N HIS A 52 -1.327 11.782 -2.054 1.00 0.00 N ATOM 751 CA HIS A 52 -2.252 10.610 -2.066 1.00 0.00 C ATOM 752 C HIS A 52 -3.245 10.749 -0.910 1.00 0.00 C ATOM 753 O HIS A 52 -3.418 9.848 -0.115 1.00 0.00 O ATOM 754 CB HIS A 52 -1.364 9.380 -1.838 1.00 0.00 C ATOM 755 CG HIS A 52 -0.587 9.050 -3.076 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.212 8.812 -4.276 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.759 8.898 -3.312 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.259 8.529 -5.186 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.964 8.573 -4.648 1.00 0.00 N ATOM 0 H HIS A 52 -0.401 11.603 -1.665 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.813 10.534 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.678 9.569 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.981 8.528 -1.552 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.217 8.844 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.538 9.013 -2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.459 8.296 -6.221 1.00 0.00 H new ATOM 767 N ASP A 53 -3.885 11.882 -0.797 1.00 0.00 N ATOM 768 CA ASP A 53 -4.846 12.084 0.323 1.00 0.00 C ATOM 769 C ASP A 53 -6.293 11.986 -0.164 1.00 0.00 C ATOM 770 O ASP A 53 -7.190 12.550 0.431 1.00 0.00 O ATOM 771 CB ASP A 53 -4.553 13.492 0.841 1.00 0.00 C ATOM 772 CG ASP A 53 -5.086 14.524 -0.155 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.464 14.695 -1.190 1.00 0.00 O ATOM 774 OD2 ASP A 53 -6.106 15.126 0.136 1.00 0.00 O ATOM 0 H ASP A 53 -3.783 12.674 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.731 11.323 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.020 13.637 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.480 13.624 0.979 1.00 0.00 H new ATOM 779 N ASN A 54 -6.543 11.270 -1.228 1.00 0.00 N ATOM 780 CA ASN A 54 -7.948 11.151 -1.706 1.00 0.00 C ATOM 781 C ASN A 54 -8.679 10.113 -0.854 1.00 0.00 C ATOM 782 O ASN A 54 -8.458 8.925 -0.979 1.00 0.00 O ATOM 783 CB ASN A 54 -7.846 10.692 -3.161 1.00 0.00 C ATOM 784 CG ASN A 54 -8.945 11.364 -3.986 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.078 12.572 -3.974 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.745 10.627 -4.707 1.00 0.00 N ATOM 0 H ASN A 54 -5.845 10.770 -1.779 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.502 12.087 -1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.866 10.946 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.944 9.608 -3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.482 11.065 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.634 9.613 -4.717 1.00 0.00 H new ATOM 793 N MET A 55 -9.541 10.553 0.022 1.00 0.00 N ATOM 794 CA MET A 55 -10.273 9.592 0.894 1.00 0.00 C ATOM 795 C MET A 55 -11.429 8.952 0.125 1.00 0.00 C ATOM 796 O MET A 55 -12.263 8.272 0.690 1.00 0.00 O ATOM 797 CB MET A 55 -10.804 10.433 2.054 1.00 0.00 C ATOM 798 CG MET A 55 -9.904 10.242 3.278 1.00 0.00 C ATOM 799 SD MET A 55 -9.409 11.859 3.922 1.00 0.00 S ATOM 800 CE MET A 55 -7.639 11.709 3.576 1.00 0.00 C ATOM 0 H MET A 55 -9.770 11.536 0.171 1.00 0.00 H new ATOM 0 HA MET A 55 -9.633 8.780 1.238 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.832 11.485 1.771 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.826 10.139 2.292 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.433 9.679 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.022 9.661 3.007 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.183 12.699 3.576 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.169 11.093 4.343 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.497 11.244 2.600 1.00 0.00 H new ATOM 810 N ASP A 56 -11.482 9.153 -1.162 1.00 0.00 N ATOM 811 CA ASP A 56 -12.580 8.547 -1.962 1.00 0.00 C ATOM 812 C ASP A 56 -12.264 7.077 -2.243 1.00 0.00 C ATOM 813 O ASP A 56 -13.112 6.320 -2.670 1.00 0.00 O ATOM 814 CB ASP A 56 -12.617 9.349 -3.263 1.00 0.00 C ATOM 815 CG ASP A 56 -14.029 9.307 -3.849 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.724 8.336 -3.600 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.392 10.247 -4.537 1.00 0.00 O ATOM 0 H ASP A 56 -10.813 9.710 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.539 8.577 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.321 10.381 -3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.903 8.937 -3.977 1.00 0.00 H new ATOM 822 N LYS A 57 -11.047 6.663 -2.000 1.00 0.00 N ATOM 823 CA LYS A 57 -10.683 5.239 -2.252 1.00 0.00 C ATOM 824 C LYS A 57 -11.241 4.781 -3.601 1.00 0.00 C ATOM 825 O LYS A 57 -11.441 3.605 -3.834 1.00 0.00 O ATOM 826 CB LYS A 57 -11.332 4.463 -1.108 1.00 0.00 C ATOM 827 CG LYS A 57 -11.015 5.155 0.219 1.00 0.00 C ATOM 828 CD LYS A 57 -12.308 5.355 1.012 1.00 0.00 C ATOM 829 CE LYS A 57 -13.037 4.016 1.148 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.125 4.270 2.135 1.00 0.00 N ATOM 0 H LYS A 57 -10.293 7.248 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.605 5.085 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.411 4.411 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.962 3.438 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.312 4.554 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.537 6.117 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.083 5.760 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.948 6.080 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.441 3.687 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.363 3.233 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.808 3.486 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.718 4.342 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.609 5.159 1.897 1.00 0.00 H new ATOM 844 N LYS A 58 -11.494 5.701 -4.493 1.00 0.00 N ATOM 845 CA LYS A 58 -12.038 5.318 -5.827 1.00 0.00 C ATOM 846 C LYS A 58 -11.260 6.026 -6.942 1.00 0.00 C ATOM 847 O LYS A 58 -11.429 5.734 -8.109 1.00 0.00 O ATOM 848 CB LYS A 58 -13.494 5.786 -5.809 1.00 0.00 C ATOM 849 CG LYS A 58 -14.229 5.129 -4.639 1.00 0.00 C ATOM 850 CD LYS A 58 -15.324 4.205 -5.176 1.00 0.00 C ATOM 851 CE LYS A 58 -16.200 3.722 -4.018 1.00 0.00 C ATOM 852 NZ LYS A 58 -17.578 4.165 -4.367 1.00 0.00 N ATOM 0 H LYS A 58 -11.347 6.701 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.955 4.247 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.537 6.871 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.981 5.528 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.527 4.561 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.666 5.893 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.932 4.733 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.877 3.353 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.149 2.639 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.875 4.153 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.237 3.870 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.597 5.201 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.863 3.734 -5.270 1.00 0.00 H new ATOM 866 N ASP A 59 -10.411 6.953 -6.592 1.00 0.00 N ATOM 867 CA ASP A 59 -9.626 7.675 -7.634 1.00 0.00 C ATOM 868 C ASP A 59 -8.563 6.749 -8.229 1.00 0.00 C ATOM 869 O ASP A 59 -7.605 6.388 -7.576 1.00 0.00 O ATOM 870 CB ASP A 59 -8.970 8.843 -6.898 1.00 0.00 C ATOM 871 CG ASP A 59 -7.920 9.493 -7.801 1.00 0.00 C ATOM 872 OD1 ASP A 59 -8.311 10.111 -8.779 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.745 9.364 -7.501 1.00 0.00 O ATOM 0 H ASP A 59 -10.227 7.242 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.250 8.015 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.724 9.577 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.505 8.491 -5.977 1.00 0.00 H new ATOM 878 N LYS A 60 -8.726 6.362 -9.465 1.00 0.00 N ATOM 879 CA LYS A 60 -7.724 5.460 -10.102 1.00 0.00 C ATOM 880 C LYS A 60 -6.586 6.281 -10.714 1.00 0.00 C ATOM 881 O LYS A 60 -5.912 5.844 -11.625 1.00 0.00 O ATOM 882 CB LYS A 60 -8.497 4.717 -11.191 1.00 0.00 C ATOM 883 CG LYS A 60 -8.941 3.352 -10.663 1.00 0.00 C ATOM 884 CD LYS A 60 -7.709 2.512 -10.321 1.00 0.00 C ATOM 885 CE LYS A 60 -7.781 1.174 -11.062 1.00 0.00 C ATOM 886 NZ LYS A 60 -8.190 0.184 -10.028 1.00 0.00 N ATOM 0 H LYS A 60 -9.509 6.631 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.270 4.775 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.366 5.300 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.871 4.591 -12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.565 3.478 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.547 2.840 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.802 3.047 -10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.659 2.342 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.502 1.213 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.818 0.913 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.228 -0.765 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.499 0.188 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.129 0.436 -9.658 1.00 0.00 H new ATOM 900 N SER A 61 -6.368 7.470 -10.221 1.00 0.00 N ATOM 901 CA SER A 61 -5.275 8.318 -10.775 1.00 0.00 C ATOM 902 C SER A 61 -4.043 8.250 -9.869 1.00 0.00 C ATOM 903 O SER A 61 -3.892 7.341 -9.078 1.00 0.00 O ATOM 904 CB SER A 61 -5.847 9.736 -10.796 1.00 0.00 C ATOM 905 OG SER A 61 -6.221 10.070 -12.126 1.00 0.00 O ATOM 0 H SER A 61 -6.900 7.890 -9.459 1.00 0.00 H new ATOM 0 HA SER A 61 -4.959 7.991 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.711 9.802 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.107 10.445 -10.425 1.00 0.00 H new ATOM 0 HG SER A 61 -6.590 10.978 -12.144 1.00 0.00 H new ATOM 911 N ALA A 62 -3.161 9.204 -9.980 1.00 0.00 N ATOM 912 CA ALA A 62 -1.937 9.193 -9.126 1.00 0.00 C ATOM 913 C ALA A 62 -2.130 10.108 -7.912 1.00 0.00 C ATOM 914 O ALA A 62 -1.188 10.676 -7.398 1.00 0.00 O ATOM 915 CB ALA A 62 -0.825 9.729 -10.026 1.00 0.00 C ATOM 0 H ALA A 62 -3.233 9.991 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.710 8.199 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.113 9.753 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.716 9.080 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.077 10.737 -10.355 1.00 0.00 H new ATOM 921 N LYS A 63 -3.343 10.258 -7.454 1.00 0.00 N ATOM 922 CA LYS A 63 -3.590 11.143 -6.277 1.00 0.00 C ATOM 923 C LYS A 63 -4.461 10.429 -5.240 1.00 0.00 C ATOM 924 O LYS A 63 -4.734 10.955 -4.180 1.00 0.00 O ATOM 925 CB LYS A 63 -4.333 12.354 -6.842 1.00 0.00 C ATOM 926 CG LYS A 63 -3.929 13.609 -6.068 1.00 0.00 C ATOM 927 CD LYS A 63 -5.119 14.104 -5.245 1.00 0.00 C ATOM 928 CE LYS A 63 -4.671 15.251 -4.336 1.00 0.00 C ATOM 929 NZ LYS A 63 -5.249 16.477 -4.953 1.00 0.00 N ATOM 0 H LYS A 63 -4.172 9.808 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.663 11.421 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.100 12.476 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.410 12.200 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.086 13.390 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.602 14.386 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.917 14.441 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.525 13.289 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.034 15.113 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.584 15.311 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.985 17.308 -4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.881 16.586 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.285 16.394 -4.985 1.00 0.00 H new ATOM 943 N GLY A 64 -4.905 9.240 -5.535 1.00 0.00 N ATOM 944 CA GLY A 64 -5.760 8.507 -4.566 1.00 0.00 C ATOM 945 C GLY A 64 -4.882 7.809 -3.532 1.00 0.00 C ATOM 946 O GLY A 64 -3.832 7.283 -3.842 1.00 0.00 O ATOM 0 H GLY A 64 -4.712 8.745 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.441 9.199 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.374 7.775 -5.090 1.00 0.00 H new ATOM 950 N TYR A 65 -5.309 7.805 -2.304 1.00 0.00 N ATOM 951 CA TYR A 65 -4.509 7.146 -1.235 1.00 0.00 C ATOM 952 C TYR A 65 -4.622 5.624 -1.339 1.00 0.00 C ATOM 953 O TYR A 65 -3.651 4.911 -1.207 1.00 0.00 O ATOM 954 CB TYR A 65 -5.130 7.617 0.079 1.00 0.00 C ATOM 955 CG TYR A 65 -4.224 7.222 1.221 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.867 7.570 1.193 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.738 6.501 2.306 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.027 7.198 2.251 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.897 6.128 3.362 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.542 6.478 3.335 1.00 0.00 C ATOM 961 OH TYR A 65 -1.714 6.111 4.375 1.00 0.00 O ATOM 0 H TYR A 65 -6.181 8.231 -1.991 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.452 7.400 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.267 8.698 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.116 7.172 0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.469 8.125 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.784 6.232 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.981 7.467 2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.294 5.570 4.197 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.269 5.265 4.156 1.00 0.00 H new ATOM 971 N TYR A 66 -5.805 5.124 -1.557 1.00 0.00 N ATOM 972 CA TYR A 66 -5.989 3.654 -1.647 1.00 0.00 C ATOM 973 C TYR A 66 -5.537 3.143 -3.020 1.00 0.00 C ATOM 974 O TYR A 66 -5.059 2.034 -3.153 1.00 0.00 O ATOM 975 CB TYR A 66 -7.494 3.459 -1.430 1.00 0.00 C ATOM 976 CG TYR A 66 -7.977 2.237 -2.168 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.024 2.242 -3.563 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.380 1.104 -1.453 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.474 1.110 -4.252 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.830 -0.030 -2.140 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.878 -0.027 -3.539 1.00 0.00 C ATOM 982 OH TYR A 66 -9.322 -1.144 -4.217 1.00 0.00 O ATOM 0 H TYR A 66 -6.655 5.675 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.398 3.098 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.704 3.355 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.035 4.339 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.713 3.119 -4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.344 1.104 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.510 1.113 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.140 -0.907 -1.591 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.562 -1.843 -3.574 1.00 0.00 H new ATOM 992 N HIS A 67 -5.678 3.939 -4.043 1.00 0.00 N ATOM 993 CA HIS A 67 -5.250 3.486 -5.401 1.00 0.00 C ATOM 994 C HIS A 67 -3.764 3.118 -5.400 1.00 0.00 C ATOM 995 O HIS A 67 -3.398 1.962 -5.487 1.00 0.00 O ATOM 996 CB HIS A 67 -5.498 4.687 -6.315 1.00 0.00 C ATOM 997 CG HIS A 67 -4.719 4.503 -7.588 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.136 3.636 -8.584 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.535 5.041 -8.029 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.215 3.670 -9.563 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.219 4.512 -9.277 1.00 0.00 N ATOM 0 H HIS A 67 -6.069 4.880 -4.001 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.795 2.600 -5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.562 4.780 -6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.194 5.608 -5.817 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.987 3.074 -8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.940 5.764 -7.490 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.274 3.087 -10.470 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.907 4.095 -5.315 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.440 3.817 -5.324 1.00 0.00 C ATOM 1011 C ALA A 68 -1.087 2.655 -4.388 1.00 0.00 C ATOM 1012 O ALA A 68 -0.038 2.059 -4.506 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.795 5.110 -4.826 1.00 0.00 C ATOM 0 H ALA A 68 -3.158 5.081 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.092 3.528 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.288 4.991 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.055 5.928 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.157 5.334 -3.823 1.00 0.00 H new ATOM 1019 N MET A 69 -1.932 2.340 -3.444 1.00 0.00 N ATOM 1020 CA MET A 69 -1.604 1.231 -2.502 1.00 0.00 C ATOM 1021 C MET A 69 -2.146 -0.112 -2.991 1.00 0.00 C ATOM 1022 O MET A 69 -1.467 -1.116 -2.922 1.00 0.00 O ATOM 1023 CB MET A 69 -2.271 1.627 -1.191 1.00 0.00 C ATOM 1024 CG MET A 69 -1.657 2.933 -0.690 1.00 0.00 C ATOM 1025 SD MET A 69 -0.625 2.606 0.759 1.00 0.00 S ATOM 1026 CE MET A 69 0.556 3.950 0.492 1.00 0.00 C ATOM 0 H MET A 69 -2.829 2.799 -3.285 1.00 0.00 H new ATOM 0 HA MET A 69 -0.526 1.098 -2.405 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.344 1.748 -1.337 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.137 0.840 -0.449 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.059 3.391 -1.478 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.445 3.642 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.250 3.997 1.331 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.111 3.769 -0.428 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.019 4.895 0.412 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.358 -0.157 -3.464 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.912 -1.460 -3.924 1.00 0.00 C ATOM 1038 C HIS A 70 -3.761 -1.616 -5.438 1.00 0.00 C ATOM 1039 O HIS A 70 -3.844 -2.705 -5.969 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.391 -1.413 -3.550 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.530 -1.017 -2.111 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.821 0.281 -1.728 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.433 -1.739 -0.951 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.890 0.301 -0.386 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.663 -0.904 0.136 1.00 0.00 N ATOM 0 H HIS A 70 -3.985 0.643 -3.552 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.391 -2.302 -3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.916 -0.701 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.850 -2.387 -3.716 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.958 1.077 -2.351 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.212 -2.794 -0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.103 1.185 0.197 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.556 -0.539 -6.138 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.421 -0.635 -7.615 1.00 0.00 C ATOM 1055 C ASP A 71 -2.009 -1.077 -8.004 1.00 0.00 C ATOM 1056 O ASP A 71 -1.039 -0.389 -7.753 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.708 0.777 -8.114 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.211 1.043 -8.034 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.756 0.935 -6.949 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.793 1.350 -9.062 1.00 0.00 O ATOM 0 H ASP A 71 -3.476 0.402 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.097 -1.372 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.165 1.506 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.361 0.890 -9.141 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.888 -2.223 -8.621 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.541 -2.712 -9.033 1.00 0.00 C ATOM 1067 C LYS A 72 -0.114 -2.022 -10.330 1.00 0.00 C ATOM 1068 O LYS A 72 1.027 -1.638 -10.494 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.711 -4.218 -9.246 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.421 -4.475 -10.576 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.543 -5.983 -10.805 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.887 -6.294 -11.467 1.00 0.00 C ATOM 1073 NZ LYS A 72 -2.612 -7.442 -12.376 1.00 0.00 N ATOM 0 H LYS A 72 -2.664 -2.841 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 72 0.228 -2.498 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.263 -4.708 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.287 -4.648 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.410 -4.016 -10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.864 -4.016 -11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.726 -6.333 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.462 -6.513 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.643 -6.551 -10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.263 -5.433 -12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.488 -7.714 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.894 -7.166 -13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.262 -8.249 -11.820 1.00 0.00 H new ATOM 1087 N GLY A 73 -1.025 -1.853 -11.246 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.678 -1.176 -12.528 1.00 0.00 C ATOM 1089 C GLY A 73 -0.503 0.320 -12.262 1.00 0.00 C ATOM 1090 O GLY A 73 -1.160 1.151 -12.857 1.00 0.00 O ATOM 0 H GLY A 73 -1.996 -2.154 -11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.239 -1.596 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.463 -1.339 -13.266 1.00 0.00 H new ATOM 1094 N THR A 74 0.374 0.663 -11.361 1.00 0.00 N ATOM 1095 CA THR A 74 0.594 2.099 -11.030 1.00 0.00 C ATOM 1096 C THR A 74 1.940 2.573 -11.581 1.00 0.00 C ATOM 1097 O THR A 74 2.840 1.786 -11.797 1.00 0.00 O ATOM 1098 CB THR A 74 0.608 2.135 -9.504 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.329 1.011 -9.015 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.826 2.089 -8.975 1.00 0.00 C ATOM 0 H THR A 74 0.952 0.006 -10.836 1.00 0.00 H new ATOM 0 HA THR A 74 -0.169 2.748 -11.460 1.00 0.00 H new ATOM 0 HB THR A 74 1.087 3.054 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.287 1.217 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.813 2.115 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.381 2.948 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.308 1.171 -9.310 1.00 0.00 H new ATOM 1108 N LYS A 75 2.092 3.854 -11.804 1.00 0.00 N ATOM 1109 CA LYS A 75 3.392 4.357 -12.332 1.00 0.00 C ATOM 1110 C LYS A 75 4.546 3.613 -11.654 1.00 0.00 C ATOM 1111 O LYS A 75 5.347 2.967 -12.300 1.00 0.00 O ATOM 1112 CB LYS A 75 3.441 5.846 -11.969 1.00 0.00 C ATOM 1113 CG LYS A 75 4.482 6.536 -12.851 1.00 0.00 C ATOM 1114 CD LYS A 75 5.887 6.255 -12.315 1.00 0.00 C ATOM 1115 CE LYS A 75 6.591 5.242 -13.221 1.00 0.00 C ATOM 1116 NZ LYS A 75 7.511 4.494 -12.320 1.00 0.00 N ATOM 0 H LYS A 75 1.379 4.566 -11.645 1.00 0.00 H new ATOM 0 HA LYS A 75 3.482 4.203 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.462 6.302 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.697 5.969 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.397 6.178 -13.877 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.299 7.610 -12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.462 7.180 -12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.828 5.868 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.874 4.573 -13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.140 5.741 -14.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.437 4.385 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.628 5.019 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.112 3.555 -12.119 1.00 0.00 H new ATOM 1130 N PHE A 76 4.630 3.698 -10.353 1.00 0.00 N ATOM 1131 CA PHE A 76 5.725 2.993 -9.627 1.00 0.00 C ATOM 1132 C PHE A 76 5.198 1.713 -8.991 1.00 0.00 C ATOM 1133 O PHE A 76 4.038 1.376 -9.129 1.00 0.00 O ATOM 1134 CB PHE A 76 6.159 3.952 -8.525 1.00 0.00 C ATOM 1135 CG PHE A 76 6.455 5.300 -9.121 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.674 5.534 -9.765 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.500 6.317 -9.034 1.00 0.00 C ATOM 1138 CE1 PHE A 76 7.935 6.789 -10.323 1.00 0.00 C ATOM 1139 CE2 PHE A 76 5.760 7.570 -9.589 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.977 7.806 -10.233 1.00 0.00 C ATOM 0 H PHE A 76 3.987 4.225 -9.762 1.00 0.00 H new ATOM 0 HA PHE A 76 6.541 2.724 -10.298 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.374 4.039 -7.774 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.043 3.565 -8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.411 4.748 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.559 6.132 -8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.874 6.974 -10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.022 8.356 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.179 8.776 -10.663 1.00 0.00 H new ATOM 1150 N LYS A 77 6.022 1.007 -8.264 1.00 0.00 N ATOM 1151 CA LYS A 77 5.522 -0.220 -7.603 1.00 0.00 C ATOM 1152 C LYS A 77 4.785 0.178 -6.329 1.00 0.00 C ATOM 1153 O LYS A 77 5.348 0.722 -5.400 1.00 0.00 O ATOM 1154 CB LYS A 77 6.741 -1.079 -7.297 1.00 0.00 C ATOM 1155 CG LYS A 77 7.715 -0.327 -6.390 1.00 0.00 C ATOM 1156 CD LYS A 77 9.003 -1.142 -6.259 1.00 0.00 C ATOM 1157 CE LYS A 77 9.542 -1.478 -7.652 1.00 0.00 C ATOM 1158 NZ LYS A 77 10.867 -2.114 -7.409 1.00 0.00 N ATOM 0 H LYS A 77 7.005 1.227 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 77 4.826 -0.778 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.428 -2.005 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.240 -1.356 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.933 0.657 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.269 -0.167 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.747 -0.578 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.810 -2.059 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.871 -2.154 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.641 -0.581 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.068 -2.798 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.606 -1.383 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.853 -2.606 -6.493 1.00 0.00 H new ATOM 1172 N SER A 78 3.515 -0.065 -6.313 1.00 0.00 N ATOM 1173 CA SER A 78 2.671 0.314 -5.143 1.00 0.00 C ATOM 1174 C SER A 78 2.815 -0.688 -3.997 1.00 0.00 C ATOM 1175 O SER A 78 3.500 -1.687 -4.107 1.00 0.00 O ATOM 1176 CB SER A 78 1.243 0.286 -5.684 1.00 0.00 C ATOM 1177 OG SER A 78 1.130 -0.744 -6.657 1.00 0.00 O ATOM 0 H SER A 78 3.009 -0.519 -7.073 1.00 0.00 H new ATOM 0 HA SER A 78 2.958 1.284 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.537 0.114 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.990 1.250 -6.127 1.00 0.00 H new ATOM 0 HG SER A 78 0.185 -0.883 -6.878 1.00 0.00 H new ATOM 1183 N CYS A 79 2.157 -0.427 -2.897 1.00 0.00 N ATOM 1184 CA CYS A 79 2.233 -1.356 -1.736 1.00 0.00 C ATOM 1185 C CYS A 79 1.707 -2.732 -2.152 1.00 0.00 C ATOM 1186 O CYS A 79 2.448 -3.692 -2.232 1.00 0.00 O ATOM 1187 CB CYS A 79 1.334 -0.725 -0.673 1.00 0.00 C ATOM 1188 SG CYS A 79 1.814 1.006 -0.422 1.00 0.00 S ATOM 0 H CYS A 79 1.568 0.394 -2.755 1.00 0.00 H new ATOM 0 HA CYS A 79 3.249 -1.499 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.291 -0.783 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.419 -1.276 0.264 1.00 0.00 H new ATOM 1193 N VAL A 80 0.438 -2.829 -2.437 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.128 -4.139 -2.871 1.00 0.00 C ATOM 1195 C VAL A 80 0.480 -4.528 -4.222 1.00 0.00 C ATOM 1196 O VAL A 80 0.592 -5.692 -4.554 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.633 -3.903 -3.004 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.262 -5.036 -3.815 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.272 -3.859 -1.608 1.00 0.00 C ATOM 0 H VAL A 80 -0.231 -2.060 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 80 0.087 -4.945 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.804 -2.955 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.334 -4.865 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.812 -5.066 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.089 -5.986 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.345 -3.691 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.098 -4.806 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.828 -3.049 -1.030 1.00 0.00 H new ATOM 1209 N GLY A 81 0.885 -3.557 -4.997 1.00 0.00 N ATOM 1210 CA GLY A 81 1.500 -3.861 -6.321 1.00 0.00 C ATOM 1211 C GLY A 81 2.893 -4.449 -6.097 1.00 0.00 C ATOM 1212 O GLY A 81 3.271 -5.428 -6.709 1.00 0.00 O ATOM 0 H GLY A 81 0.816 -2.565 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.878 -4.566 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.566 -2.955 -6.923 1.00 0.00 H new ATOM 1216 N CYS A 82 3.651 -3.870 -5.205 1.00 0.00 N ATOM 1217 CA CYS A 82 5.011 -4.410 -4.920 1.00 0.00 C ATOM 1218 C CYS A 82 4.860 -5.653 -4.056 1.00 0.00 C ATOM 1219 O CYS A 82 5.712 -6.519 -4.019 1.00 0.00 O ATOM 1220 CB CYS A 82 5.732 -3.309 -4.142 1.00 0.00 C ATOM 1221 SG CYS A 82 7.521 -3.566 -4.246 1.00 0.00 S ATOM 0 H CYS A 82 3.387 -3.048 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 82 5.561 -4.680 -5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.470 -2.332 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.413 -3.317 -3.100 1.00 0.00 H new ATOM 1226 N HIS A 83 3.764 -5.736 -3.360 1.00 0.00 N ATOM 1227 CA HIS A 83 3.509 -6.904 -2.485 1.00 0.00 C ATOM 1228 C HIS A 83 3.149 -8.124 -3.338 1.00 0.00 C ATOM 1229 O HIS A 83 3.800 -9.148 -3.272 1.00 0.00 O ATOM 1230 CB HIS A 83 2.344 -6.454 -1.605 1.00 0.00 C ATOM 1231 CG HIS A 83 2.894 -5.753 -0.397 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.191 -5.657 0.794 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.089 -5.113 -0.180 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.962 -4.986 1.666 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.128 -4.632 1.123 1.00 0.00 N ATOM 0 H HIS A 83 3.025 -5.033 -3.362 1.00 0.00 H new ATOM 0 HA HIS A 83 4.371 -7.203 -1.888 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.686 -5.787 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.745 -7.313 -1.303 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.258 -6.028 0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.877 -5.001 -0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.673 -4.761 2.682 1.00 0.00 H new ATOM 1243 N LEU A 84 2.137 -8.022 -4.158 1.00 0.00 N ATOM 1244 CA LEU A 84 1.767 -9.167 -5.025 1.00 0.00 C ATOM 1245 C LEU A 84 3.001 -9.645 -5.792 1.00 0.00 C ATOM 1246 O LEU A 84 3.152 -10.815 -6.085 1.00 0.00 O ATOM 1247 CB LEU A 84 0.726 -8.590 -5.977 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.518 -9.473 -5.961 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.731 -8.655 -6.405 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.319 -10.653 -6.915 1.00 0.00 C ATOM 0 H LEU A 84 1.553 -7.192 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 84 1.385 -10.025 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.468 -7.574 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.132 -8.533 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.684 -9.848 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.620 -9.286 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.873 -7.816 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.566 -8.279 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.208 -11.284 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.152 -10.280 -7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.545 -11.237 -6.596 1.00 0.00 H new ATOM 1262 N GLU A 85 3.890 -8.743 -6.111 1.00 0.00 N ATOM 1263 CA GLU A 85 5.125 -9.134 -6.849 1.00 0.00 C ATOM 1264 C GLU A 85 6.193 -9.603 -5.858 1.00 0.00 C ATOM 1265 O GLU A 85 6.756 -10.670 -5.997 1.00 0.00 O ATOM 1266 CB GLU A 85 5.578 -7.862 -7.567 1.00 0.00 C ATOM 1267 CG GLU A 85 4.532 -7.461 -8.609 1.00 0.00 C ATOM 1268 CD GLU A 85 5.052 -7.795 -10.008 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.257 -7.912 -10.159 1.00 0.00 O ATOM 1270 OE2 GLU A 85 4.235 -7.928 -10.905 1.00 0.00 O ATOM 0 H GLU A 85 3.814 -7.750 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 85 4.953 -9.952 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.717 -7.056 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.541 -8.028 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.596 -7.988 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.318 -6.395 -8.534 1.00 0.00 H new ATOM 1277 N THR A 86 6.467 -8.816 -4.852 1.00 0.00 N ATOM 1278 CA THR A 86 7.490 -9.223 -3.847 1.00 0.00 C ATOM 1279 C THR A 86 7.124 -10.590 -3.264 1.00 0.00 C ATOM 1280 O THR A 86 7.946 -11.270 -2.684 1.00 0.00 O ATOM 1281 CB THR A 86 7.439 -8.140 -2.765 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.159 -6.998 -3.207 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.067 -8.672 -1.474 1.00 0.00 C ATOM 0 H THR A 86 6.028 -7.911 -4.683 1.00 0.00 H new ATOM 0 HA THR A 86 8.488 -9.313 -4.277 1.00 0.00 H new ATOM 0 HB THR A 86 6.401 -7.866 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.550 -6.387 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.029 -7.900 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.514 -9.548 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.105 -8.948 -1.661 1.00 0.00 H new ATOM 1291 N ALA A 87 5.893 -10.995 -3.421 1.00 0.00 N ATOM 1292 CA ALA A 87 5.468 -12.318 -2.883 1.00 0.00 C ATOM 1293 C ALA A 87 5.731 -13.412 -3.920 1.00 0.00 C ATOM 1294 O ALA A 87 6.066 -14.532 -3.588 1.00 0.00 O ATOM 1295 CB ALA A 87 3.967 -12.175 -2.619 1.00 0.00 C ATOM 0 H ALA A 87 5.163 -10.466 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 87 6.013 -12.595 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.577 -13.111 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.799 -11.375 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.455 -11.937 -3.551 1.00 0.00 H new ATOM 1301 N GLY A 88 5.586 -13.090 -5.174 1.00 0.00 N ATOM 1302 CA GLY A 88 5.829 -14.101 -6.240 1.00 0.00 C ATOM 1303 C GLY A 88 4.905 -15.301 -6.031 1.00 0.00 C ATOM 1304 O GLY A 88 3.730 -15.153 -5.759 1.00 0.00 O ATOM 0 H GLY A 88 5.309 -12.167 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.652 -13.660 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.870 -14.423 -6.219 1.00 0.00 H new ATOM 1308 N ALA A 89 5.428 -16.488 -6.160 1.00 0.00 N ATOM 1309 CA ALA A 89 4.583 -17.702 -5.971 1.00 0.00 C ATOM 1310 C ALA A 89 4.609 -18.145 -4.510 1.00 0.00 C ATOM 1311 O ALA A 89 4.794 -19.307 -4.206 1.00 0.00 O ATOM 1312 CB ALA A 89 5.222 -18.764 -6.856 1.00 0.00 C ATOM 0 H ALA A 89 6.405 -16.671 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 89 3.540 -17.522 -6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.658 -19.693 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.216 -18.426 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.250 -18.934 -6.536 1.00 0.00 H new ATOM 1318 N ASP A 90 4.420 -17.230 -3.605 1.00 0.00 N ATOM 1319 CA ASP A 90 4.429 -17.593 -2.166 1.00 0.00 C ATOM 1320 C ASP A 90 3.072 -17.269 -1.552 1.00 0.00 C ATOM 1321 O ASP A 90 2.890 -16.258 -0.905 1.00 0.00 O ATOM 1322 CB ASP A 90 5.532 -16.737 -1.552 1.00 0.00 C ATOM 1323 CG ASP A 90 5.581 -16.967 -0.040 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.593 -17.431 0.503 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.609 -16.674 0.549 1.00 0.00 O ATOM 0 H ASP A 90 4.259 -16.242 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 90 4.609 -18.654 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.493 -16.989 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.349 -15.684 -1.764 1.00 0.00 H new ATOM 1330 N ALA A 91 2.119 -18.124 -1.769 1.00 0.00 N ATOM 1331 CA ALA A 91 0.750 -17.893 -1.219 1.00 0.00 C ATOM 1332 C ALA A 91 0.835 -17.301 0.191 1.00 0.00 C ATOM 1333 O ALA A 91 -0.057 -16.607 0.638 1.00 0.00 O ATOM 1334 CB ALA A 91 0.100 -19.277 -1.180 1.00 0.00 C ATOM 0 H ALA A 91 2.226 -18.983 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 91 0.178 -17.189 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.913 -19.192 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.064 -19.691 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.685 -19.936 -0.538 1.00 0.00 H new ATOM 1340 N ALA A 92 1.909 -17.551 0.886 1.00 0.00 N ATOM 1341 CA ALA A 92 2.058 -16.984 2.254 1.00 0.00 C ATOM 1342 C ALA A 92 2.438 -15.514 2.128 1.00 0.00 C ATOM 1343 O ALA A 92 1.965 -14.666 2.860 1.00 0.00 O ATOM 1344 CB ALA A 92 3.187 -17.784 2.904 1.00 0.00 C ATOM 0 H ALA A 92 2.690 -18.124 0.566 1.00 0.00 H new ATOM 0 HA ALA A 92 1.145 -17.046 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.354 -17.420 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.913 -18.839 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.100 -17.664 2.321 1.00 0.00 H new ATOM 1350 N LYS A 93 3.274 -15.209 1.181 1.00 0.00 N ATOM 1351 CA LYS A 93 3.680 -13.800 0.964 1.00 0.00 C ATOM 1352 C LYS A 93 2.524 -13.039 0.318 1.00 0.00 C ATOM 1353 O LYS A 93 2.415 -11.836 0.432 1.00 0.00 O ATOM 1354 CB LYS A 93 4.866 -13.890 0.011 1.00 0.00 C ATOM 1355 CG LYS A 93 6.167 -13.847 0.809 1.00 0.00 C ATOM 1356 CD LYS A 93 7.351 -13.703 -0.148 1.00 0.00 C ATOM 1357 CE LYS A 93 8.569 -14.425 0.432 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.211 -15.092 -0.735 1.00 0.00 N ATOM 0 H LYS A 93 3.697 -15.883 0.543 1.00 0.00 H new ATOM 0 HA LYS A 93 3.938 -13.278 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.812 -14.813 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.837 -13.065 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.149 -13.012 1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.273 -14.756 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.097 -14.121 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.580 -12.649 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.252 -13.724 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.274 -15.151 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.056 -15.609 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.539 -15.758 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.487 -14.375 -1.436 1.00 0.00 H new ATOM 1372 N LYS A 94 1.651 -13.739 -0.354 1.00 0.00 N ATOM 1373 CA LYS A 94 0.496 -13.056 -0.999 1.00 0.00 C ATOM 1374 C LYS A 94 -0.549 -12.702 0.061 1.00 0.00 C ATOM 1375 O LYS A 94 -1.290 -11.747 -0.074 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.065 -14.065 -2.000 1.00 0.00 C ATOM 1377 CG LYS A 94 0.100 -13.517 -3.418 1.00 0.00 C ATOM 1378 CD LYS A 94 0.682 -14.605 -4.324 1.00 0.00 C ATOM 1379 CE LYS A 94 0.331 -14.297 -5.781 1.00 0.00 C ATOM 1380 NZ LYS A 94 -0.472 -15.464 -6.238 1.00 0.00 N ATOM 0 H LYS A 94 1.688 -14.750 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 94 0.783 -12.127 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.455 -15.018 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.118 -14.254 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.863 -13.184 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.757 -12.647 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.764 -14.654 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.285 -15.580 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.237 -13.370 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.229 -14.175 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.751 -15.326 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.097 -16.331 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.324 -15.551 -5.648 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.604 -13.459 1.123 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.588 -13.163 2.202 1.00 0.00 C ATOM 1396 C LYS A 95 -0.999 -12.124 3.158 1.00 0.00 C ATOM 1397 O LYS A 95 -1.707 -11.430 3.859 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.807 -14.499 2.916 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.694 -14.730 3.942 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.203 -14.368 5.339 1.00 0.00 C ATOM 1401 CE LYS A 95 -1.400 -15.646 6.157 1.00 0.00 C ATOM 1402 NZ LYS A 95 -2.562 -16.331 5.526 1.00 0.00 N ATOM 0 H LYS A 95 -0.009 -14.271 1.290 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.524 -12.756 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.777 -14.501 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.819 -15.312 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.374 -15.772 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.177 -14.124 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.491 -13.710 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.144 -13.822 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.509 -16.274 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.597 -15.418 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.919 -17.069 6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.315 -15.638 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.264 -16.765 4.629 1.00 0.00 H new ATOM 1416 N GLU A 96 0.301 -12.017 3.183 1.00 0.00 N ATOM 1417 CA GLU A 96 0.963 -11.028 4.079 1.00 0.00 C ATOM 1418 C GLU A 96 1.199 -9.725 3.320 1.00 0.00 C ATOM 1419 O GLU A 96 0.970 -8.642 3.820 1.00 0.00 O ATOM 1420 CB GLU A 96 2.293 -11.682 4.447 1.00 0.00 C ATOM 1421 CG GLU A 96 3.217 -11.702 3.241 1.00 0.00 C ATOM 1422 CD GLU A 96 4.578 -12.264 3.658 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.596 -13.187 4.456 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.578 -11.763 3.173 1.00 0.00 O ATOM 0 H GLU A 96 0.938 -12.577 2.616 1.00 0.00 H new ATOM 0 HA GLU A 96 0.367 -10.784 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.762 -11.135 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.122 -12.699 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.786 -12.313 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.333 -10.695 2.840 1.00 0.00 H new ATOM 1431 N LEU A 97 1.660 -9.837 2.114 1.00 0.00 N ATOM 1432 CA LEU A 97 1.928 -8.627 1.288 1.00 0.00 C ATOM 1433 C LEU A 97 0.629 -8.076 0.701 1.00 0.00 C ATOM 1434 O LEU A 97 0.210 -6.981 1.021 1.00 0.00 O ATOM 1435 CB LEU A 97 2.850 -9.122 0.180 1.00 0.00 C ATOM 1436 CG LEU A 97 4.112 -9.714 0.806 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.180 -9.861 -0.268 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.623 -8.785 1.911 1.00 0.00 C ATOM 0 H LEU A 97 1.867 -10.724 1.655 1.00 0.00 H new ATOM 0 HA LEU A 97 2.371 -7.817 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.342 -9.874 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.111 -8.300 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 97 3.884 -10.690 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.083 -10.283 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.817 -10.522 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.406 -8.883 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.523 -9.209 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.854 -7.808 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.856 -8.676 2.678 1.00 0.00 H new ATOM 1450 N THR A 98 -0.008 -8.812 -0.158 1.00 0.00 N ATOM 1451 CA THR A 98 -1.273 -8.309 -0.766 1.00 0.00 C ATOM 1452 C THR A 98 -2.481 -8.708 0.074 1.00 0.00 C ATOM 1453 O THR A 98 -3.544 -8.131 -0.041 1.00 0.00 O ATOM 1454 CB THR A 98 -1.345 -8.967 -2.139 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.196 -10.373 -1.997 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.227 -8.418 -3.022 1.00 0.00 C ATOM 0 H THR A 98 0.288 -9.738 -0.468 1.00 0.00 H new ATOM 0 HA THR A 98 -1.282 -7.221 -0.827 1.00 0.00 H new ATOM 0 HB THR A 98 -2.309 -8.751 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.386 -10.630 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.276 -8.887 -4.005 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.344 -7.339 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.738 -8.635 -2.564 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.335 -9.682 0.919 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.487 -10.094 1.755 1.00 0.00 C ATOM 1466 C GLY A 99 -4.107 -8.852 2.386 1.00 0.00 C ATOM 1467 O GLY A 99 -3.442 -8.071 3.030 1.00 0.00 O ATOM 0 H GLY A 99 -1.474 -10.208 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.226 -10.617 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.162 -10.788 2.530 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.374 -8.653 2.203 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.014 -7.455 2.813 1.00 0.00 C ATOM 1473 C CYS A 100 -6.282 -7.722 4.284 1.00 0.00 C ATOM 1474 O CYS A 100 -5.736 -7.085 5.150 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.345 -7.234 2.094 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.372 -8.078 0.486 1.00 0.00 S ATOM 0 H CYS A 100 -5.994 -9.258 1.664 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.369 -6.581 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.162 -7.602 2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.510 -6.166 1.950 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.127 -8.661 4.571 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.430 -8.959 5.995 1.00 0.00 C ATOM 1483 C LYS A 101 -6.620 -10.169 6.470 1.00 0.00 C ATOM 1484 O LYS A 101 -6.838 -11.284 6.039 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.927 -9.265 6.029 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.706 -8.081 5.451 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.080 -7.116 6.578 1.00 0.00 C ATOM 1488 CE LYS A 101 -10.992 -6.017 6.029 1.00 0.00 C ATOM 1489 NZ LYS A 101 -11.675 -5.452 7.226 1.00 0.00 N ATOM 0 H LYS A 101 -7.621 -9.235 3.888 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.171 -8.129 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.137 -10.167 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.246 -9.458 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.104 -7.566 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.606 -8.435 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.585 -7.655 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.180 -6.676 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.418 -5.253 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.712 -6.420 5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.695 -5.646 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.288 -5.891 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.520 -4.424 7.262 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.687 -9.957 7.359 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.867 -11.095 7.864 1.00 0.00 C ATOM 1505 C GLY A 102 -3.436 -10.975 7.334 1.00 0.00 C ATOM 1506 O GLY A 102 -2.582 -11.784 7.639 1.00 0.00 O ATOM 0 H GLY A 102 -5.458 -9.046 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.862 -11.097 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.305 -12.041 7.545 1.00 0.00 H new ATOM 1510 N SER A 103 -3.166 -9.974 6.540 1.00 0.00 N ATOM 1511 CA SER A 103 -1.792 -9.808 5.992 1.00 0.00 C ATOM 1512 C SER A 103 -0.908 -9.046 6.981 1.00 0.00 C ATOM 1513 O SER A 103 -1.115 -9.084 8.177 1.00 0.00 O ATOM 1514 CB SER A 103 -1.976 -8.995 4.715 1.00 0.00 C ATOM 1515 OG SER A 103 -2.550 -7.736 5.042 1.00 0.00 O ATOM 0 H SER A 103 -3.838 -9.265 6.248 1.00 0.00 H new ATOM 0 HA SER A 103 -1.307 -10.766 5.807 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.016 -8.853 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.619 -9.531 4.017 1.00 0.00 H new ATOM 0 HG SER A 103 -3.008 -7.371 4.256 1.00 0.00 H new ATOM 1521 N LYS A 104 0.069 -8.346 6.480 1.00 0.00 N ATOM 1522 CA LYS A 104 0.971 -7.564 7.364 1.00 0.00 C ATOM 1523 C LYS A 104 0.561 -6.105 7.302 1.00 0.00 C ATOM 1524 O LYS A 104 0.773 -5.331 8.215 1.00 0.00 O ATOM 1525 CB LYS A 104 2.348 -7.733 6.739 1.00 0.00 C ATOM 1526 CG LYS A 104 2.773 -9.201 6.812 1.00 0.00 C ATOM 1527 CD LYS A 104 3.707 -9.405 8.006 1.00 0.00 C ATOM 1528 CE LYS A 104 4.578 -10.640 7.766 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.825 -10.383 8.539 1.00 0.00 N ATOM 0 H LYS A 104 0.282 -8.282 5.485 1.00 0.00 H new ATOM 0 HA LYS A 104 0.944 -7.887 8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.330 -7.401 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.073 -7.108 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.895 -9.840 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.276 -9.491 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.335 -8.525 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.125 -9.529 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.080 -11.547 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.791 -10.774 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.581 -11.010 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.114 -9.392 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.652 -10.567 9.548 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.009 -5.739 6.200 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.438 -4.341 5.991 1.00 0.00 C ATOM 1545 C CYS A 105 -1.769 -4.074 6.702 1.00 0.00 C ATOM 1546 O CYS A 105 -2.076 -2.956 7.061 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.597 -4.250 4.477 1.00 0.00 C ATOM 1548 SG CYS A 105 0.226 -2.755 3.867 1.00 0.00 S ATOM 0 H CYS A 105 -0.200 -6.365 5.417 1.00 0.00 H new ATOM 0 HA CYS A 105 0.264 -3.608 6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.168 -5.133 4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.654 -4.228 4.213 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.561 -5.090 6.910 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.870 -4.888 7.600 1.00 0.00 C ATOM 1555 C HIS A 106 -3.933 -5.738 8.873 1.00 0.00 C ATOM 1556 O HIS A 106 -4.581 -6.765 8.913 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.922 -5.351 6.594 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.321 -4.195 5.719 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.393 -2.903 6.213 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.615 -4.104 4.374 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.707 -2.092 5.190 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.846 -2.765 4.045 1.00 0.00 N ATOM 0 H HIS A 106 -2.360 -6.051 6.633 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.023 -3.852 7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.525 -6.163 5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.794 -5.743 7.118 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.236 -2.619 7.180 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.660 -4.935 3.685 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.832 -1.023 5.282 1.00 0.00 H new ATOM 1570 N SER A 107 -3.264 -5.318 9.912 1.00 0.00 N ATOM 1571 CA SER A 107 -3.286 -6.103 11.179 1.00 0.00 C ATOM 1572 C SER A 107 -4.287 -5.491 12.163 1.00 0.00 C ATOM 1573 O SER A 107 -4.676 -4.353 11.952 1.00 0.00 O ATOM 1574 CB SER A 107 -1.865 -6.004 11.730 1.00 0.00 C ATOM 1575 OG SER A 107 -1.667 -7.020 12.704 1.00 0.00 O ATOM 1576 OXT SER A 107 -4.647 -6.170 13.110 1.00 0.00 O ATOM 0 H SER A 107 -2.704 -4.466 9.938 1.00 0.00 H new ATOM 0 HA SER A 107 -3.590 -7.137 11.019 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.141 -6.112 10.922 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.702 -5.022 12.174 1.00 0.00 H new ATOM 0 HG SER A 107 -0.755 -6.960 13.058 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.268 6.649 3.328 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.753 8.151 4.998 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.393 9.017 4.466 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.819 5.105 1.744 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.141 4.314 2.228 1.00 0.00 C HETATM 1588 NA HEC A 201 9.102 8.227 4.438 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.987 8.672 5.105 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.265 9.741 5.998 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.556 10.014 5.859 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.081 9.097 4.860 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.265 10.970 6.790 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.310 10.362 7.005 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.501 11.491 6.367 1.00 0.00 C HETATM 1596 CGA HEC A 201 6.792 12.805 7.096 1.00 0.00 C HETATM 1597 O1A HEC A 201 7.798 12.867 7.783 1.00 0.00 O HETATM 1598 O2A HEC A 201 6.004 13.725 6.955 1.00 0.00 O HETATM 1599 NB HEC A 201 11.167 6.983 3.145 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.905 8.024 3.667 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.302 7.911 3.312 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.428 6.789 2.579 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.103 6.234 2.463 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.418 8.874 3.681 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.715 6.195 2.025 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.629 5.643 3.122 1.00 0.00 C HETATM 1607 NC HEC A 201 9.447 5.059 2.239 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.578 4.552 1.642 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.290 3.387 0.851 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.968 3.198 0.956 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.453 4.212 1.837 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.277 2.536 0.070 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.137 2.169 0.230 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.683 0.750 0.401 1.00 0.00 C HETATM 1615 ND HEC A 201 7.371 6.324 3.543 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.629 5.280 3.058 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.258 5.363 3.521 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.158 6.514 4.208 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.461 7.067 4.248 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.182 4.306 3.411 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.942 7.182 4.820 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.202 6.221 5.745 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.320 7.019 6.708 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.062 8.177 6.424 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.917 6.458 7.714 1.00 0.00 O HETATM 0 HMD3 HEC A 201 4.009 4.071 2.361 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.501 3.406 3.937 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.259 4.678 3.856 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.776 3.152 -0.678 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 12.019 2.121 0.752 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.745 1.724 -0.425 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.196 9.861 3.276 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.500 8.938 4.766 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.360 8.515 3.267 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.796 11.952 6.730 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.199 10.598 7.813 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.313 11.050 6.500 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.591 5.534 5.160 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 3.915 5.616 6.305 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.698 0.701 0.007 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.692 0.489 1.459 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 8.049 0.048 -0.141 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.900 6.446 3.808 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.107 4.858 3.669 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.532 5.232 2.671 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.757 11.584 5.312 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.436 11.263 6.418 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.250 8.066 5.378 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.272 7.521 4.030 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.634 9.598 7.390 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.872 10.748 7.855 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.447 3.565 1.847 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.639 4.616 1.218 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.075 9.794 4.810 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.943 8.630 5.547 1.00 0.00 H new HETATM 1658 FE HEC A 202 3.009 8.453 -5.485 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.828 7.932 -8.590 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.946 5.156 -4.989 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.239 8.906 -2.387 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.844 11.761 -5.976 1.00 0.00 C HETATM 1663 NA HEC A 202 2.493 6.934 -6.520 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.894 6.901 -7.741 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.314 5.635 -8.016 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.669 4.829 -7.027 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.426 5.630 -6.126 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.267 3.382 -6.868 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.434 5.258 -9.173 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.631 6.307 -9.497 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.444 5.849 -10.709 1.00 0.00 C HETATM 1672 O1A HEC A 202 -2.376 6.549 -11.072 1.00 0.00 O HETATM 1673 O2A HEC A 202 -1.122 4.806 -11.254 1.00 0.00 O HETATM 1674 NB HEC A 202 3.562 7.297 -4.071 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.506 5.924 -4.041 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.921 5.377 -2.798 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.210 6.410 -2.020 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.020 7.617 -2.812 1.00 0.00 C HETATM 1679 CMB HEC A 202 4.014 3.907 -2.425 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.598 6.220 -0.575 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.113 6.259 -0.388 1.00 0.00 C HETATM 1682 NC HEC A 202 3.490 9.988 -4.431 1.00 0.00 N HETATM 1683 C1C HEC A 202 4.008 10.026 -3.157 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.177 11.388 -2.706 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.694 12.164 -3.709 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.330 11.296 -4.778 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.772 11.838 -1.384 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.386 13.646 -3.747 1.00 0.00 C HETATM 1689 CBC HEC A 202 3.934 14.445 -2.567 1.00 0.00 C HETATM 1690 ND HEC A 202 2.447 9.593 -6.955 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.440 10.964 -7.023 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.179 11.408 -8.383 1.00 0.00 C HETATM 1693 C3D HEC A 202 2.046 10.292 -9.129 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.125 9.203 -8.228 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.090 12.827 -8.899 1.00 0.00 C HETATM 1696 CAD HEC A 202 2.062 10.096 -10.635 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.370 10.609 -11.237 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.068 11.467 -12.466 1.00 0.00 C HETATM 1699 O1D HEC A 202 3.980 11.694 -13.244 1.00 0.00 O HETATM 1700 O2D HEC A 202 1.931 11.884 -12.608 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.289 13.353 -8.380 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 3.035 13.339 -8.720 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.882 12.813 -9.969 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.181 11.433 -0.562 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.798 11.478 -1.305 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.765 12.927 -1.334 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 3.030 3.446 -2.515 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.713 3.405 -3.095 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.366 3.814 -1.398 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.181 3.311 -6.804 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.618 2.810 -7.727 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.712 2.979 -5.958 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.917 11.194 -10.498 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.008 9.770 -11.515 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.511 14.060 -1.639 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.020 14.351 -2.537 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 3.664 15.495 -2.682 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.573 5.463 -0.974 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.496 7.223 -0.722 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.353 6.119 0.666 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.287 6.452 -8.639 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.160 7.268 -9.704 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.939 9.039 -10.870 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.219 10.622 -11.083 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.055 5.098 -10.054 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.057 4.310 -8.952 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.773 12.841 -6.107 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.620 9.052 -1.376 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.913 4.079 -4.822 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.522 7.741 -9.619 1.00 0.00 H new HETATM 0 HAC HEC A 202 2.817 14.107 -4.554 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.836 -3.477 2.058 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.743 -6.076 4.010 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.583 -2.508 4.353 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.048 -0.780 0.186 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.194 -4.350 -0.197 1.00 0.00 C HETATM 1738 NA HEC A 203 5.286 -4.142 3.800 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.752 -5.245 4.474 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.035 -5.436 5.707 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.130 -4.452 5.794 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.296 -3.645 4.616 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.118 -4.274 6.910 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.210 -6.538 6.730 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.685 -6.906 6.908 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.989 -7.089 8.396 1.00 0.00 C HETATM 1747 O1A HEC A 203 7.392 -6.122 9.022 1.00 0.00 O HETATM 1748 O2A HEC A 203 6.814 -8.193 8.885 1.00 0.00 O HETATM 1749 NB HEC A 203 4.648 -1.948 2.267 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.773 -1.693 3.288 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.028 -0.478 3.081 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.432 -0.013 1.895 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.444 -0.907 1.406 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.000 0.142 4.013 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.812 1.092 1.086 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.445 2.471 1.304 1.00 0.00 C HETATM 1757 NC HEC A 203 6.449 -2.754 0.361 1.00 0.00 N HETATM 1758 C1C HEC A 203 5.989 -1.642 -0.307 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.642 -1.478 -1.581 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.517 -2.493 -1.683 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.413 -3.261 -0.475 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.383 -0.383 -2.604 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.409 -2.803 -2.865 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.921 -1.511 -3.502 1.00 0.00 C HETATM 1765 ND HEC A 203 7.142 -4.925 1.912 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.081 -5.126 0.927 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.952 -6.230 1.244 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.519 -6.738 2.411 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.399 -5.925 2.819 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.178 -6.684 0.470 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.112 -7.919 3.160 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.609 -9.247 2.590 1.00 0.00 C HETATM 1773 CGD HEC A 203 8.030 -10.102 3.718 1.00 0.00 C HETATM 1774 O1D HEC A 203 8.624 -11.122 4.026 1.00 0.00 O HETATM 1775 O2D HEC A 203 7.003 -9.721 4.256 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.887 -6.957 -0.544 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.906 -5.873 0.433 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.622 -7.548 0.965 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.342 -0.423 -2.924 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.587 0.589 -2.156 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.034 -0.529 -3.466 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.179 -0.558 4.167 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.468 0.369 4.971 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.615 1.061 3.571 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.472 -5.150 6.958 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.640 -4.155 7.859 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.514 -3.388 6.715 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.848 -9.064 1.831 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.426 -9.777 2.101 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.076 -0.914 -3.844 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.492 -0.944 -2.767 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.561 -1.753 -4.351 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.349 2.754 2.352 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.500 2.434 1.033 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 2.936 3.207 0.682 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.910 -7.824 6.364 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.319 -6.124 6.490 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.200 -7.883 3.098 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.850 -7.851 4.216 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.795 -6.218 7.686 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.649 -7.419 6.418 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.962 -4.620 -0.922 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.760 0.067 -0.437 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.798 -2.235 5.058 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.028 -6.920 4.639 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.781 -1.808 2.130 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.538 1.125 3.604 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.967 -2.164 1.180 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.025 -4.876 0.966 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.502 -1.158 2.531 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.407 -0.832 2.469 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.565 0.352 3.148 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.898 0.861 3.026 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.571 0.000 2.241 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.652 -1.070 1.939 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.956 0.206 1.650 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.403 2.179 3.582 1.00 0.00 C HETATM 1820 CBA HEC A 204 -9.995 3.022 2.455 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.606 4.296 3.039 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.111 5.366 2.723 1.00 0.00 O HETATM 1823 O2A HEC A 204 -11.558 4.182 3.794 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.779 -3.214 1.288 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.093 -3.181 0.874 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.428 -4.348 0.090 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.315 -5.104 0.076 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.310 -4.413 0.817 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.763 -4.670 -0.560 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.138 -6.521 -0.404 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.700 -6.549 -1.864 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.144 -2.785 1.791 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.004 -4.103 1.425 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.641 -4.551 1.533 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.942 -3.470 1.910 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.861 -2.382 2.036 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.125 -5.970 1.365 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.503 -3.398 2.344 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.479 -3.401 1.171 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.751 -0.330 2.859 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.385 -0.184 2.907 1.00 0.00 C HETATM 1842 C2D HEC A 204 -3.005 1.088 3.482 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.152 1.718 3.803 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.219 0.826 3.438 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.594 1.622 3.668 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.317 3.128 4.351 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.789 3.238 5.780 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.103 4.631 6.328 1.00 0.00 C HETATM 1849 O1D HEC A 204 -3.336 5.540 6.057 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.104 4.765 7.011 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.031 0.945 4.310 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.102 1.695 2.698 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.636 2.609 4.129 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.597 -6.618 2.103 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.363 -6.328 0.363 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.044 -5.984 1.508 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.536 -4.731 0.206 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.020 -3.886 -1.272 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.693 -5.625 -1.081 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.678 0.343 2.455 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -10.952 1.090 1.012 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.233 -0.667 1.059 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.247 2.475 6.409 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.714 3.062 5.797 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.354 -4.317 0.594 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.284 -2.540 0.531 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.499 -3.347 1.551 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.456 -6.062 -2.480 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.752 -6.022 -1.970 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.579 -7.583 -2.188 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.221 3.276 1.731 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.756 2.452 1.921 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.787 3.833 3.711 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.370 3.407 4.329 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.158 1.996 4.347 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.587 2.719 4.062 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.438 -0.944 2.633 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.813 -5.913 0.704 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.982 -2.235 0.790 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.789 2.042 4.136 1.00 0.00 H new