USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=29 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 66:sc= 1 USER MOD Set 1.2: A 78 SER OG : rot -148:sc= 0.0862 USER MOD Set 2.1: A 21 ASN : amide:sc= -6.71! C(o=-10!,f=-12!) USER MOD Set 2.2: A 23 SER OG : rot 153:sc= -2.7! USER MOD Set 2.3: A 24 THR OG1 : rot 83:sc= -0.973! USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0935 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -178:sc= -11.9! (180deg=-12.5!) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= 1.04 (180deg=-0.874) USER MOD Single : A 14 THR OG1 : rot 47:sc= -4.63! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -2.46! F(o=-3.6,f=-2.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.335 (180deg=-2.16!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.553 F(o=-2.3!,f=-0.55) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 44 GLN : amide:sc= -6.15! C(o=-6.2!,f=-10!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -38:sc= 0.883 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.65 F(o=-3.9!,f=-1.6) USER MOD Single : A 55 MET CE :methyl -100:sc= -0.392 (180deg=-1.26) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 65 TYR OH : rot 88:sc= -2.32! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -12.9! C(o=-13!,f=-20!) USER MOD Single : A 69 MET CE :methyl -176:sc= -3.78! (180deg=-3.88!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.55 (180deg=0.525) USER MOD Single : A 77 LYS NZ :NH3+ -103:sc= -0.873 (180deg=-1.89!) USER MOD Single : A 86 THR OG1 : rot 90:sc= 0.873 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 1.08 (180deg=0.771) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 134:sc= -0.252 (180deg=-2.08!) USER MOD Single : A 98 THR OG1 : rot 23:sc= 0.585 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -154:sc= 0.601 USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0.134 (180deg=0.104) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.657 14.562 2.895 1.00 0.00 N ATOM 2 CA ALA A 1 19.817 13.385 2.531 1.00 0.00 C ATOM 3 C ALA A 1 18.630 13.264 3.491 1.00 0.00 C ATOM 4 O ALA A 1 18.659 13.794 4.584 1.00 0.00 O ATOM 5 CB ALA A 1 20.745 12.178 2.673 1.00 0.00 C ATOM 0 H1 ALA A 1 20.595 15.278 2.144 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.316 14.968 3.790 1.00 0.00 H new ATOM 0 H3 ALA A 1 21.646 14.261 3.006 1.00 0.00 H new ATOM 0 HA ALA A 1 19.405 13.467 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.200 11.268 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.594 12.290 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.104 12.114 3.700 1.00 0.00 H new ATOM 13 N PRO A 2 17.621 12.566 3.045 1.00 0.00 N ATOM 14 CA PRO A 2 16.407 12.368 3.871 1.00 0.00 C ATOM 15 C PRO A 2 16.680 11.381 5.003 1.00 0.00 C ATOM 16 O PRO A 2 17.293 10.351 4.806 1.00 0.00 O ATOM 17 CB PRO A 2 15.395 11.784 2.893 1.00 0.00 C ATOM 18 CG PRO A 2 16.218 11.142 1.820 1.00 0.00 C ATOM 19 CD PRO A 2 17.517 11.902 1.742 1.00 0.00 C ATOM 0 HA PRO A 2 16.064 13.289 4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.748 11.056 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.749 12.560 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.399 10.092 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.696 11.173 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.360 11.234 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.508 12.624 0.926 1.00 0.00 H new ATOM 27 N LYS A 3 16.221 11.678 6.185 1.00 0.00 N ATOM 28 CA LYS A 3 16.448 10.742 7.318 1.00 0.00 C ATOM 29 C LYS A 3 15.213 9.876 7.529 1.00 0.00 C ATOM 30 O LYS A 3 14.342 10.192 8.316 1.00 0.00 O ATOM 31 CB LYS A 3 16.678 11.615 8.537 1.00 0.00 C ATOM 32 CG LYS A 3 17.822 12.594 8.267 1.00 0.00 C ATOM 33 CD LYS A 3 18.422 13.056 9.597 1.00 0.00 C ATOM 34 CE LYS A 3 19.324 14.268 9.356 1.00 0.00 C ATOM 35 NZ LYS A 3 20.197 14.342 10.561 1.00 0.00 N ATOM 0 H LYS A 3 15.701 12.525 6.415 1.00 0.00 H new ATOM 0 HA LYS A 3 17.293 10.080 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.768 12.163 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.915 10.994 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.588 12.116 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.455 13.452 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.627 13.314 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.995 12.247 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.914 14.147 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.738 15.179 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.846 15.150 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.608 14.464 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.748 13.464 10.645 1.00 0.00 H new ATOM 49 N ALA A 4 15.138 8.789 6.833 1.00 0.00 N ATOM 50 CA ALA A 4 13.963 7.884 6.981 1.00 0.00 C ATOM 51 C ALA A 4 13.562 7.792 8.454 1.00 0.00 C ATOM 52 O ALA A 4 14.406 7.735 9.326 1.00 0.00 O ATOM 53 CB ALA A 4 14.438 6.525 6.465 1.00 0.00 C ATOM 0 H ALA A 4 15.841 8.480 6.162 1.00 0.00 H new ATOM 0 HA ALA A 4 13.091 8.240 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.626 5.802 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.744 6.618 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.284 6.185 7.062 1.00 0.00 H new ATOM 59 N PRO A 5 12.279 7.787 8.681 1.00 0.00 N ATOM 60 CA PRO A 5 11.754 7.710 10.058 1.00 0.00 C ATOM 61 C PRO A 5 11.831 6.281 10.593 1.00 0.00 C ATOM 62 O PRO A 5 11.983 5.332 9.850 1.00 0.00 O ATOM 63 CB PRO A 5 10.311 8.185 9.922 1.00 0.00 C ATOM 64 CG PRO A 5 9.935 7.943 8.490 1.00 0.00 C ATOM 65 CD PRO A 5 11.210 7.849 7.683 1.00 0.00 C ATOM 0 HA PRO A 5 12.323 8.312 10.766 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.654 7.637 10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.221 9.241 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.357 7.024 8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.307 8.753 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.211 6.964 7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.329 8.713 7.029 1.00 0.00 H new ATOM 73 N ALA A 6 11.740 6.128 11.884 1.00 0.00 N ATOM 74 CA ALA A 6 11.819 4.775 12.487 1.00 0.00 C ATOM 75 C ALA A 6 10.712 3.882 11.938 1.00 0.00 C ATOM 76 O ALA A 6 9.725 4.343 11.403 1.00 0.00 O ATOM 77 CB ALA A 6 11.631 5.000 13.987 1.00 0.00 C ATOM 0 H ALA A 6 11.613 6.890 12.550 1.00 0.00 H new ATOM 0 HA ALA A 6 12.763 4.279 12.262 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.677 4.043 14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.421 5.653 14.359 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.661 5.465 14.167 1.00 0.00 H new ATOM 83 N ASP A 7 10.875 2.602 12.079 1.00 0.00 N ATOM 84 CA ASP A 7 9.849 1.652 11.586 1.00 0.00 C ATOM 85 C ASP A 7 8.598 1.756 12.455 1.00 0.00 C ATOM 86 O ASP A 7 8.632 2.273 13.554 1.00 0.00 O ATOM 87 CB ASP A 7 10.489 0.273 11.731 1.00 0.00 C ATOM 88 CG ASP A 7 11.931 0.321 11.225 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.169 0.994 10.235 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.775 -0.315 11.837 1.00 0.00 O ATOM 0 H ASP A 7 11.686 2.168 12.520 1.00 0.00 H new ATOM 0 HA ASP A 7 9.548 1.852 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.469 -0.040 12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.919 -0.465 11.166 1.00 0.00 H new ATOM 95 N GLY A 8 7.501 1.264 11.973 1.00 0.00 N ATOM 96 CA GLY A 8 6.244 1.324 12.767 1.00 0.00 C ATOM 97 C GLY A 8 5.423 2.547 12.355 1.00 0.00 C ATOM 98 O GLY A 8 4.507 2.949 13.044 1.00 0.00 O ATOM 0 H GLY A 8 7.416 0.820 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.662 0.416 12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.478 1.374 13.830 1.00 0.00 H new ATOM 102 N LEU A 9 5.732 3.136 11.234 1.00 0.00 N ATOM 103 CA LEU A 9 4.949 4.323 10.789 1.00 0.00 C ATOM 104 C LEU A 9 3.503 3.910 10.564 1.00 0.00 C ATOM 105 O LEU A 9 3.215 3.032 9.779 1.00 0.00 O ATOM 106 CB LEU A 9 5.582 4.776 9.477 1.00 0.00 C ATOM 107 CG LEU A 9 5.774 6.291 9.514 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.047 6.653 8.752 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.576 6.984 8.857 1.00 0.00 C ATOM 0 H LEU A 9 6.487 2.850 10.610 1.00 0.00 H new ATOM 0 HA LEU A 9 4.960 5.125 11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.541 4.279 9.330 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.946 4.498 8.636 1.00 0.00 H new ATOM 0 HG LEU A 9 5.855 6.620 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.190 7.733 8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.902 6.164 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.959 6.320 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.719 8.064 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.490 6.658 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.665 6.724 9.396 1.00 0.00 H new ATOM 121 N LYS A 10 2.589 4.521 11.250 1.00 0.00 N ATOM 122 CA LYS A 10 1.166 4.132 11.069 1.00 0.00 C ATOM 123 C LYS A 10 0.453 5.084 10.114 1.00 0.00 C ATOM 124 O LYS A 10 0.280 6.254 10.392 1.00 0.00 O ATOM 125 CB LYS A 10 0.543 4.204 12.457 1.00 0.00 C ATOM 126 CG LYS A 10 0.238 2.788 12.950 1.00 0.00 C ATOM 127 CD LYS A 10 -1.046 2.802 13.782 1.00 0.00 C ATOM 128 CE LYS A 10 -1.226 1.445 14.467 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.941 1.747 15.738 1.00 0.00 N ATOM 0 H LYS A 10 2.759 5.267 11.924 1.00 0.00 H new ATOM 0 HA LYS A 10 1.080 3.136 10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.223 4.703 13.148 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.372 4.796 12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.127 2.112 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.068 2.414 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.999 3.595 14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.903 3.015 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.802 0.761 13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.264 0.969 14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.101 0.864 16.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.366 2.395 16.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.856 2.193 15.524 1.00 0.00 H new ATOM 143 N MET A 11 0.013 4.575 9.002 1.00 0.00 N ATOM 144 CA MET A 11 -0.723 5.425 8.028 1.00 0.00 C ATOM 145 C MET A 11 -2.213 5.337 8.337 1.00 0.00 C ATOM 146 O MET A 11 -2.870 4.382 7.986 1.00 0.00 O ATOM 147 CB MET A 11 -0.420 4.842 6.642 1.00 0.00 C ATOM 148 CG MET A 11 -0.416 3.315 6.697 1.00 0.00 C ATOM 149 SD MET A 11 1.292 2.717 6.715 1.00 0.00 S ATOM 150 CE MET A 11 1.625 2.944 4.951 1.00 0.00 C ATOM 0 H MET A 11 0.131 3.601 8.723 1.00 0.00 H new ATOM 0 HA MET A 11 -0.427 6.473 8.076 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.166 5.185 5.925 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.547 5.202 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.942 2.971 7.587 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.946 2.908 5.836 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.633 2.598 4.724 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.905 2.370 4.368 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.538 4.000 4.697 1.00 0.00 H new ATOM 160 N ASP A 12 -2.744 6.315 9.012 1.00 0.00 N ATOM 161 CA ASP A 12 -4.195 6.271 9.363 1.00 0.00 C ATOM 162 C ASP A 12 -4.990 7.246 8.500 1.00 0.00 C ATOM 163 O ASP A 12 -6.103 7.613 8.821 1.00 0.00 O ATOM 164 CB ASP A 12 -4.261 6.679 10.831 1.00 0.00 C ATOM 165 CG ASP A 12 -3.316 7.854 11.089 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.664 8.962 10.717 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.260 7.624 11.655 1.00 0.00 O ATOM 0 H ASP A 12 -2.242 7.141 9.336 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.624 5.284 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.281 6.957 11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.987 5.835 11.464 1.00 0.00 H new ATOM 172 N LYS A 13 -4.429 7.661 7.408 1.00 0.00 N ATOM 173 CA LYS A 13 -5.147 8.606 6.514 1.00 0.00 C ATOM 174 C LYS A 13 -6.560 8.095 6.229 1.00 0.00 C ATOM 175 O LYS A 13 -7.479 8.861 6.016 1.00 0.00 O ATOM 176 CB LYS A 13 -4.315 8.619 5.239 1.00 0.00 C ATOM 177 CG LYS A 13 -3.077 9.490 5.454 1.00 0.00 C ATOM 178 CD LYS A 13 -3.506 10.939 5.683 1.00 0.00 C ATOM 179 CE LYS A 13 -2.274 11.847 5.664 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.761 13.143 5.113 1.00 0.00 N ATOM 0 H LYS A 13 -3.499 7.387 7.092 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.256 9.599 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.019 7.604 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.906 9.005 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.509 9.128 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.420 9.427 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.210 11.247 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.023 11.030 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.861 11.973 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.483 11.426 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.327 13.310 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.796 13.110 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.500 13.915 5.759 1.00 0.00 H new ATOM 194 N THR A 14 -6.738 6.804 6.227 1.00 0.00 N ATOM 195 CA THR A 14 -8.093 6.235 5.957 1.00 0.00 C ATOM 196 C THR A 14 -8.619 5.497 7.192 1.00 0.00 C ATOM 197 O THR A 14 -7.933 5.359 8.185 1.00 0.00 O ATOM 198 CB THR A 14 -7.902 5.256 4.796 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.782 4.426 5.054 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.675 6.036 3.501 1.00 0.00 C ATOM 0 H THR A 14 -6.005 6.116 6.400 1.00 0.00 H new ATOM 0 HA THR A 14 -8.817 7.014 5.717 1.00 0.00 H new ATOM 0 HB THR A 14 -8.794 4.638 4.694 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.835 4.081 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.539 5.338 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.539 6.670 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.785 6.657 3.602 1.00 0.00 H new ATOM 208 N LYS A 15 -9.832 5.020 7.133 1.00 0.00 N ATOM 209 CA LYS A 15 -10.407 4.288 8.298 1.00 0.00 C ATOM 210 C LYS A 15 -9.571 3.041 8.593 1.00 0.00 C ATOM 211 O LYS A 15 -9.564 2.532 9.697 1.00 0.00 O ATOM 212 CB LYS A 15 -11.820 3.898 7.864 1.00 0.00 C ATOM 213 CG LYS A 15 -12.826 4.894 8.443 1.00 0.00 C ATOM 214 CD LYS A 15 -13.635 5.522 7.308 1.00 0.00 C ATOM 215 CE LYS A 15 -15.127 5.287 7.553 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.659 6.613 7.977 1.00 0.00 N ATOM 0 H LYS A 15 -10.451 5.106 6.327 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.415 4.891 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.888 3.888 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.052 2.890 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.492 4.389 9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.304 5.669 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.429 6.591 7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.340 5.087 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.625 4.932 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.287 4.532 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.679 6.534 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.171 6.922 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.498 7.309 7.221 1.00 0.00 H new ATOM 230 N GLN A 16 -8.863 2.551 7.615 1.00 0.00 N ATOM 231 CA GLN A 16 -8.019 1.344 7.835 1.00 0.00 C ATOM 232 C GLN A 16 -6.549 1.756 7.940 1.00 0.00 C ATOM 233 O GLN A 16 -5.814 1.679 6.977 1.00 0.00 O ATOM 234 CB GLN A 16 -8.248 0.469 6.602 1.00 0.00 C ATOM 235 CG GLN A 16 -9.549 -0.318 6.769 1.00 0.00 C ATOM 236 CD GLN A 16 -10.489 -0.006 5.603 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.677 -0.902 4.674 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -11.058 1.066 5.538 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.832 2.935 6.671 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.273 0.817 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.298 1.089 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.411 -0.216 6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.338 -1.387 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.026 -0.057 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.911 1.766 6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.683 1.265 4.757 1.00 0.00 H new ATOM 247 N PRO A 17 -6.176 2.189 9.113 1.00 0.00 N ATOM 248 CA PRO A 17 -4.780 2.635 9.358 1.00 0.00 C ATOM 249 C PRO A 17 -3.802 1.462 9.273 1.00 0.00 C ATOM 250 O PRO A 17 -4.055 0.385 9.777 1.00 0.00 O ATOM 251 CB PRO A 17 -4.832 3.210 10.772 1.00 0.00 C ATOM 252 CG PRO A 17 -6.002 2.539 11.412 1.00 0.00 C ATOM 253 CD PRO A 17 -7.006 2.301 10.317 1.00 0.00 C ATOM 0 HA PRO A 17 -4.430 3.357 8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.911 3.004 11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.957 4.293 10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.704 1.599 11.877 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.426 3.164 12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.584 1.394 10.492 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.718 3.123 10.239 1.00 0.00 H new ATOM 261 N VAL A 18 -2.686 1.672 8.633 1.00 0.00 N ATOM 262 CA VAL A 18 -1.677 0.588 8.498 1.00 0.00 C ATOM 263 C VAL A 18 -0.335 1.038 9.083 1.00 0.00 C ATOM 264 O VAL A 18 -0.101 2.211 9.293 1.00 0.00 O ATOM 265 CB VAL A 18 -1.555 0.372 6.992 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.288 -0.424 6.698 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.774 -0.402 6.486 1.00 0.00 C ATOM 0 H VAL A 18 -2.429 2.556 8.194 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.963 -0.321 9.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.505 1.337 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.198 -0.580 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.580 0.128 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.340 -1.389 7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.686 -0.556 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.826 -1.368 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.680 0.166 6.699 1.00 0.00 H new ATOM 277 N VAL A 19 0.546 0.115 9.346 1.00 0.00 N ATOM 278 CA VAL A 19 1.873 0.488 9.913 1.00 0.00 C ATOM 279 C VAL A 19 2.983 0.181 8.900 1.00 0.00 C ATOM 280 O VAL A 19 3.171 -0.953 8.504 1.00 0.00 O ATOM 281 CB VAL A 19 2.027 -0.390 11.154 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.403 -0.155 11.781 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.938 -0.037 12.169 1.00 0.00 C ATOM 0 H VAL A 19 0.405 -0.884 9.193 1.00 0.00 H new ATOM 0 HA VAL A 19 1.941 1.550 10.150 1.00 0.00 H new ATOM 0 HB VAL A 19 1.932 -1.438 10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.511 -0.782 12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.180 -0.408 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.499 0.893 12.065 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.048 -0.664 13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.031 1.011 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.043 -0.207 11.724 1.00 0.00 H new ATOM 293 N PHE A 20 3.723 1.173 8.479 1.00 0.00 N ATOM 294 CA PHE A 20 4.817 0.911 7.498 1.00 0.00 C ATOM 295 C PHE A 20 6.164 0.833 8.213 1.00 0.00 C ATOM 296 O PHE A 20 6.582 1.763 8.874 1.00 0.00 O ATOM 297 CB PHE A 20 4.811 2.093 6.526 1.00 0.00 C ATOM 298 CG PHE A 20 5.882 1.866 5.485 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.810 0.749 4.646 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.950 2.762 5.365 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.807 0.528 3.689 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.945 2.541 4.406 1.00 0.00 C ATOM 303 CZ PHE A 20 7.873 1.425 3.569 1.00 0.00 C ATOM 0 H PHE A 20 3.619 2.145 8.769 1.00 0.00 H new ATOM 0 HA PHE A 20 4.664 -0.036 6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.835 2.187 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.995 3.024 7.062 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.985 0.057 4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.007 3.624 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.753 -0.336 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.769 3.233 4.313 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.641 1.255 2.829 1.00 0.00 H new ATOM 313 N ASN A 21 6.851 -0.265 8.079 1.00 0.00 N ATOM 314 CA ASN A 21 8.169 -0.402 8.739 1.00 0.00 C ATOM 315 C ASN A 21 9.281 -0.146 7.720 1.00 0.00 C ATOM 316 O ASN A 21 9.667 -1.028 6.978 1.00 0.00 O ATOM 317 CB ASN A 21 8.200 -1.847 9.216 1.00 0.00 C ATOM 318 CG ASN A 21 8.272 -1.890 10.743 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.191 -2.453 11.304 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.336 -1.313 11.445 1.00 0.00 N ATOM 0 H ASN A 21 6.551 -1.076 7.537 1.00 0.00 H new ATOM 0 HA ASN A 21 8.315 0.304 9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.310 -2.372 8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.060 -2.362 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.376 -1.335 12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.564 -0.840 10.975 1.00 0.00 H new ATOM 327 N HIS A 22 9.795 1.052 7.670 1.00 0.00 N ATOM 328 CA HIS A 22 10.875 1.348 6.687 1.00 0.00 C ATOM 329 C HIS A 22 11.956 0.268 6.772 1.00 0.00 C ATOM 330 O HIS A 22 12.612 -0.044 5.798 1.00 0.00 O ATOM 331 CB HIS A 22 11.442 2.704 7.109 1.00 0.00 C ATOM 332 CG HIS A 22 10.637 3.816 6.492 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.808 4.630 7.249 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.550 4.292 5.202 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.273 5.547 6.425 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.694 5.390 5.168 1.00 0.00 N ATOM 0 H HIS A 22 9.516 1.834 8.263 1.00 0.00 H new ATOM 0 HA HIS A 22 10.510 1.366 5.660 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.425 2.792 8.195 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.484 2.784 6.799 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.635 4.548 8.251 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.066 3.877 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.586 6.318 6.741 1.00 0.00 H new ATOM 344 N SER A 23 12.139 -0.311 7.927 1.00 0.00 N ATOM 345 CA SER A 23 13.171 -1.377 8.070 1.00 0.00 C ATOM 346 C SER A 23 12.932 -2.467 7.023 1.00 0.00 C ATOM 347 O SER A 23 13.857 -2.985 6.428 1.00 0.00 O ATOM 348 CB SER A 23 12.977 -1.933 9.480 1.00 0.00 C ATOM 349 OG SER A 23 11.607 -1.825 9.842 1.00 0.00 O ATOM 0 H SER A 23 11.619 -0.092 8.777 1.00 0.00 H new ATOM 0 HA SER A 23 14.184 -1.002 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.295 -2.975 9.520 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.597 -1.384 10.189 1.00 0.00 H new ATOM 0 HG SER A 23 11.386 -2.519 10.497 1.00 0.00 H new ATOM 355 N THR A 24 11.696 -2.814 6.790 1.00 0.00 N ATOM 356 CA THR A 24 11.394 -3.863 5.775 1.00 0.00 C ATOM 357 C THR A 24 11.541 -3.279 4.370 1.00 0.00 C ATOM 358 O THR A 24 11.470 -3.983 3.381 1.00 0.00 O ATOM 359 CB THR A 24 9.942 -4.269 6.040 1.00 0.00 C ATOM 360 OG1 THR A 24 9.476 -3.623 7.217 1.00 0.00 O ATOM 361 CG2 THR A 24 9.860 -5.785 6.223 1.00 0.00 C ATOM 0 H THR A 24 10.882 -2.416 7.259 1.00 0.00 H new ATOM 0 HA THR A 24 12.069 -4.716 5.843 1.00 0.00 H new ATOM 0 HB THR A 24 9.323 -3.972 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.179 -2.716 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.826 -6.073 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.216 -6.280 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.480 -6.083 7.068 1.00 0.00 H new ATOM 369 N HIS A 25 11.732 -1.992 4.276 1.00 0.00 N ATOM 370 CA HIS A 25 11.872 -1.352 2.947 1.00 0.00 C ATOM 371 C HIS A 25 13.232 -0.663 2.824 1.00 0.00 C ATOM 372 O HIS A 25 13.613 -0.205 1.764 1.00 0.00 O ATOM 373 CB HIS A 25 10.733 -0.344 2.917 1.00 0.00 C ATOM 374 CG HIS A 25 9.449 -1.081 3.160 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.975 -1.334 4.438 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.552 -1.664 2.304 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.840 -2.043 4.314 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.539 -2.273 3.035 1.00 0.00 N ATOM 0 H HIS A 25 11.797 -1.356 5.071 1.00 0.00 H new ATOM 0 HA HIS A 25 11.824 -2.060 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.882 0.421 3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.702 0.166 1.954 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.408 -1.037 5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.622 -1.652 1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.245 -2.385 5.148 1.00 0.00 H new ATOM 386 N LYS A 26 13.975 -0.595 3.894 1.00 0.00 N ATOM 387 CA LYS A 26 15.315 0.055 3.824 1.00 0.00 C ATOM 388 C LYS A 26 16.101 -0.529 2.648 1.00 0.00 C ATOM 389 O LYS A 26 16.998 0.095 2.115 1.00 0.00 O ATOM 390 CB LYS A 26 15.995 -0.285 5.151 1.00 0.00 C ATOM 391 CG LYS A 26 16.183 -1.800 5.256 1.00 0.00 C ATOM 392 CD LYS A 26 16.614 -2.164 6.679 1.00 0.00 C ATOM 393 CE LYS A 26 17.349 -3.505 6.662 1.00 0.00 C ATOM 394 NZ LYS A 26 18.045 -3.578 7.976 1.00 0.00 N ATOM 0 H LYS A 26 13.714 -0.960 4.810 1.00 0.00 H new ATOM 0 HA LYS A 26 15.253 1.133 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.960 0.217 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.391 0.076 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.253 -2.311 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.934 -2.134 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.262 -1.387 7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.742 -2.223 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.654 -4.335 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.058 -3.556 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.573 -4.472 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.705 -2.779 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.344 -3.534 8.743 1.00 0.00 H new ATOM 408 N ALA A 27 15.759 -1.718 2.235 1.00 0.00 N ATOM 409 CA ALA A 27 16.470 -2.347 1.087 1.00 0.00 C ATOM 410 C ALA A 27 15.712 -2.053 -0.210 1.00 0.00 C ATOM 411 O ALA A 27 16.162 -2.371 -1.292 1.00 0.00 O ATOM 412 CB ALA A 27 16.466 -3.845 1.386 1.00 0.00 C ATOM 0 H ALA A 27 15.015 -2.283 2.645 1.00 0.00 H new ATOM 0 HA ALA A 27 17.484 -1.966 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.974 -4.378 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.984 -4.030 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.438 -4.198 1.462 1.00 0.00 H new ATOM 418 N VAL A 28 14.567 -1.434 -0.103 1.00 0.00 N ATOM 419 CA VAL A 28 13.779 -1.102 -1.320 1.00 0.00 C ATOM 420 C VAL A 28 14.338 0.167 -1.947 1.00 0.00 C ATOM 421 O VAL A 28 15.257 0.769 -1.428 1.00 0.00 O ATOM 422 CB VAL A 28 12.352 -0.876 -0.818 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.512 -0.204 -1.904 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.723 -2.221 -0.451 1.00 0.00 C ATOM 0 H VAL A 28 14.144 -1.144 0.779 1.00 0.00 H new ATOM 0 HA VAL A 28 13.816 -1.885 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 28 12.383 -0.230 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.498 -0.048 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.955 0.757 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.483 -0.841 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.706 -2.061 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.701 -2.865 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.313 -2.697 0.332 1.00 0.00 H new ATOM 434 N LYS A 29 13.800 0.591 -3.049 1.00 0.00 N ATOM 435 CA LYS A 29 14.323 1.828 -3.673 1.00 0.00 C ATOM 436 C LYS A 29 13.566 3.034 -3.143 1.00 0.00 C ATOM 437 O LYS A 29 12.437 3.291 -3.507 1.00 0.00 O ATOM 438 CB LYS A 29 14.092 1.681 -5.165 1.00 0.00 C ATOM 439 CG LYS A 29 15.441 1.621 -5.876 1.00 0.00 C ATOM 440 CD LYS A 29 15.884 0.163 -6.015 1.00 0.00 C ATOM 441 CE LYS A 29 16.472 -0.063 -7.410 1.00 0.00 C ATOM 442 NZ LYS A 29 17.363 1.107 -7.647 1.00 0.00 N ATOM 0 H LYS A 29 13.028 0.140 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 29 15.380 1.974 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.519 0.777 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.507 2.521 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.366 2.084 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.185 2.186 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.626 -0.077 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.036 -0.502 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.029 -0.999 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.687 -0.121 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.138 0.830 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.816 1.877 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.758 1.432 -6.741 1.00 0.00 H new ATOM 456 N CYS A 30 14.189 3.775 -2.290 1.00 0.00 N ATOM 457 CA CYS A 30 13.521 4.984 -1.728 1.00 0.00 C ATOM 458 C CYS A 30 12.862 5.767 -2.864 1.00 0.00 C ATOM 459 O CYS A 30 11.928 6.515 -2.661 1.00 0.00 O ATOM 460 CB CYS A 30 14.638 5.807 -1.085 1.00 0.00 C ATOM 461 SG CYS A 30 14.996 5.159 0.567 1.00 0.00 S ATOM 0 H CYS A 30 15.135 3.603 -1.950 1.00 0.00 H new ATOM 0 HA CYS A 30 12.746 4.736 -1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.534 5.768 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.341 6.854 -1.020 1.00 0.00 H new ATOM 466 N GLY A 31 13.349 5.593 -4.063 1.00 0.00 N ATOM 467 CA GLY A 31 12.762 6.316 -5.224 1.00 0.00 C ATOM 468 C GLY A 31 11.621 5.489 -5.820 1.00 0.00 C ATOM 469 O GLY A 31 10.842 5.975 -6.612 1.00 0.00 O ATOM 0 H GLY A 31 14.131 4.978 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.391 7.291 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.528 6.495 -5.979 1.00 0.00 H new ATOM 473 N ASP A 32 11.499 4.247 -5.441 1.00 0.00 N ATOM 474 CA ASP A 32 10.389 3.422 -5.986 1.00 0.00 C ATOM 475 C ASP A 32 9.108 3.772 -5.231 1.00 0.00 C ATOM 476 O ASP A 32 8.025 3.776 -5.781 1.00 0.00 O ATOM 477 CB ASP A 32 10.808 1.974 -5.745 1.00 0.00 C ATOM 478 CG ASP A 32 10.700 1.194 -7.055 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.649 1.250 -7.669 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.673 0.558 -7.423 1.00 0.00 O ATOM 0 H ASP A 32 12.116 3.772 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 32 10.199 3.593 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.830 1.937 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.172 1.521 -4.985 1.00 0.00 H new ATOM 485 N CYS A 33 9.239 4.113 -3.978 1.00 0.00 N ATOM 486 CA CYS A 33 8.049 4.519 -3.181 1.00 0.00 C ATOM 487 C CYS A 33 7.911 6.038 -3.286 1.00 0.00 C ATOM 488 O CYS A 33 6.929 6.555 -3.780 1.00 0.00 O ATOM 489 CB CYS A 33 8.361 4.100 -1.746 1.00 0.00 C ATOM 490 SG CYS A 33 8.214 2.302 -1.595 1.00 0.00 S ATOM 0 H CYS A 33 10.124 4.128 -3.471 1.00 0.00 H new ATOM 0 HA CYS A 33 7.119 4.064 -3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.368 4.417 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.675 4.591 -1.056 1.00 0.00 H new ATOM 495 N HIS A 34 8.920 6.756 -2.860 1.00 0.00 N ATOM 496 CA HIS A 34 8.883 8.240 -2.973 1.00 0.00 C ATOM 497 C HIS A 34 9.414 8.629 -4.353 1.00 0.00 C ATOM 498 O HIS A 34 10.232 9.517 -4.483 1.00 0.00 O ATOM 499 CB HIS A 34 9.833 8.763 -1.893 1.00 0.00 C ATOM 500 CG HIS A 34 9.279 8.485 -0.520 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.132 9.101 -0.041 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.726 7.685 0.501 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.936 8.667 1.218 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.879 7.804 1.597 1.00 0.00 N ATOM 0 H HIS A 34 9.767 6.375 -2.439 1.00 0.00 H new ATOM 0 HA HIS A 34 7.879 8.645 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.809 8.290 -2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.982 9.835 -2.021 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.545 9.762 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.604 7.057 0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.114 8.980 1.845 1.00 0.00 H new ATOM 512 N HIS A 35 8.979 7.945 -5.379 1.00 0.00 N ATOM 513 CA HIS A 35 9.478 8.248 -6.751 1.00 0.00 C ATOM 514 C HIS A 35 9.727 9.747 -6.925 1.00 0.00 C ATOM 515 O HIS A 35 9.254 10.555 -6.153 1.00 0.00 O ATOM 516 CB HIS A 35 8.386 7.754 -7.698 1.00 0.00 C ATOM 517 CG HIS A 35 7.048 8.222 -7.222 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.583 9.472 -7.541 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.058 7.623 -6.474 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.362 9.604 -7.004 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.987 8.504 -6.340 1.00 0.00 N ATOM 0 H HIS A 35 8.298 7.188 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 35 10.432 7.760 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.573 8.124 -8.706 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.403 6.665 -7.750 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.078 10.176 -8.089 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.105 6.628 -6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.754 10.492 -7.096 1.00 0.00 H new ATOM 529 N PRO A 36 10.487 10.059 -7.939 1.00 0.00 N ATOM 530 CA PRO A 36 10.849 11.471 -8.227 1.00 0.00 C ATOM 531 C PRO A 36 9.624 12.296 -8.622 1.00 0.00 C ATOM 532 O PRO A 36 9.114 12.193 -9.720 1.00 0.00 O ATOM 533 CB PRO A 36 11.840 11.357 -9.384 1.00 0.00 C ATOM 534 CG PRO A 36 11.519 10.047 -10.027 1.00 0.00 C ATOM 535 CD PRO A 36 11.070 9.136 -8.917 1.00 0.00 C ATOM 0 HA PRO A 36 11.267 11.983 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.726 12.182 -10.087 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.870 11.382 -9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.736 10.162 -10.777 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.392 9.639 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.340 8.406 -9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.904 8.576 -8.494 1.00 0.00 H new ATOM 543 N VAL A 37 9.165 13.128 -7.730 1.00 0.00 N ATOM 544 CA VAL A 37 7.990 13.987 -8.033 1.00 0.00 C ATOM 545 C VAL A 37 8.441 15.444 -8.110 1.00 0.00 C ATOM 546 O VAL A 37 9.431 15.825 -7.522 1.00 0.00 O ATOM 547 CB VAL A 37 7.032 13.781 -6.860 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.004 14.914 -6.831 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.309 12.442 -7.023 1.00 0.00 C ATOM 0 H VAL A 37 9.558 13.250 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 37 7.517 13.738 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 37 7.596 13.781 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.322 14.765 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.518 15.868 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.439 14.917 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.625 12.294 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.746 12.444 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.040 11.634 -7.042 1.00 0.00 H new ATOM 559 N ASN A 38 7.726 16.266 -8.818 1.00 0.00 N ATOM 560 CA ASN A 38 8.128 17.696 -8.909 1.00 0.00 C ATOM 561 C ASN A 38 9.623 17.811 -9.228 1.00 0.00 C ATOM 562 O ASN A 38 10.245 18.819 -8.955 1.00 0.00 O ATOM 563 CB ASN A 38 7.857 18.235 -7.514 1.00 0.00 C ATOM 564 CG ASN A 38 7.799 19.765 -7.544 1.00 0.00 C ATOM 565 OD1 ASN A 38 8.248 20.405 -8.591 1.00 0.00 O flip ATOM 566 ND2 ASN A 38 7.340 20.385 -6.606 1.00 0.00 N flip ATOM 0 H ASN A 38 6.884 16.014 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 38 7.593 18.235 -9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.916 17.835 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.639 17.906 -6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.989 19.887 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.305 21.404 -6.636 1.00 0.00 H new ATOM 573 N GLY A 39 10.212 16.787 -9.784 1.00 0.00 N ATOM 574 CA GLY A 39 11.665 16.850 -10.091 1.00 0.00 C ATOM 575 C GLY A 39 12.440 16.236 -8.926 1.00 0.00 C ATOM 576 O GLY A 39 13.625 15.986 -9.020 1.00 0.00 O ATOM 0 H GLY A 39 9.750 15.914 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.880 16.311 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.974 17.884 -10.247 1.00 0.00 H new ATOM 580 N LYS A 40 11.779 15.988 -7.823 1.00 0.00 N ATOM 581 CA LYS A 40 12.489 15.388 -6.654 1.00 0.00 C ATOM 582 C LYS A 40 11.602 14.347 -5.963 1.00 0.00 C ATOM 583 O LYS A 40 10.397 14.487 -5.904 1.00 0.00 O ATOM 584 CB LYS A 40 12.771 16.561 -5.715 1.00 0.00 C ATOM 585 CG LYS A 40 11.486 17.365 -5.501 1.00 0.00 C ATOM 586 CD LYS A 40 11.767 18.535 -4.556 1.00 0.00 C ATOM 587 CE LYS A 40 10.461 19.271 -4.252 1.00 0.00 C ATOM 588 NZ LYS A 40 10.532 19.594 -2.800 1.00 0.00 N ATOM 0 H LYS A 40 10.786 16.174 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 40 13.403 14.874 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.146 16.194 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.546 17.200 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.114 17.736 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.709 16.725 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.215 18.170 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.485 19.218 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.368 20.175 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.595 18.648 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.670 20.101 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.614 18.714 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.362 20.193 -2.618 1.00 0.00 H new ATOM 602 N GLU A 41 12.189 13.303 -5.436 1.00 0.00 N ATOM 603 CA GLU A 41 11.371 12.260 -4.750 1.00 0.00 C ATOM 604 C GLU A 41 10.789 12.813 -3.452 1.00 0.00 C ATOM 605 O GLU A 41 11.505 13.075 -2.506 1.00 0.00 O ATOM 606 CB GLU A 41 12.337 11.117 -4.434 1.00 0.00 C ATOM 607 CG GLU A 41 12.628 10.318 -5.705 1.00 0.00 C ATOM 608 CD GLU A 41 13.967 9.594 -5.558 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.004 8.594 -4.860 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.934 10.053 -6.144 1.00 0.00 O ATOM 0 H GLU A 41 13.194 13.129 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 41 10.539 11.933 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.265 11.516 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.907 10.465 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.831 9.597 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.655 10.984 -6.567 1.00 0.00 H new ATOM 617 N ASP A 42 9.500 12.976 -3.386 1.00 0.00 N ATOM 618 CA ASP A 42 8.897 13.493 -2.131 1.00 0.00 C ATOM 619 C ASP A 42 9.078 12.460 -1.025 1.00 0.00 C ATOM 620 O ASP A 42 8.337 11.503 -0.921 1.00 0.00 O ATOM 621 CB ASP A 42 7.419 13.690 -2.431 1.00 0.00 C ATOM 622 CG ASP A 42 7.254 14.675 -3.589 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.130 15.507 -3.762 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.255 14.582 -4.283 1.00 0.00 O ATOM 0 H ASP A 42 8.843 12.776 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 42 9.361 14.423 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.959 12.735 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.905 14.065 -1.546 1.00 0.00 H new ATOM 629 N TYR A 43 10.064 12.645 -0.203 1.00 0.00 N ATOM 630 CA TYR A 43 10.306 11.672 0.898 1.00 0.00 C ATOM 631 C TYR A 43 9.362 11.968 2.065 1.00 0.00 C ATOM 632 O TYR A 43 9.782 12.128 3.194 1.00 0.00 O ATOM 633 CB TYR A 43 11.761 11.891 1.312 1.00 0.00 C ATOM 634 CG TYR A 43 12.670 11.556 0.152 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.947 10.219 -0.162 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.237 12.585 -0.610 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.790 9.912 -1.236 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.080 12.277 -1.685 1.00 0.00 C ATOM 639 CZ TYR A 43 14.357 10.941 -1.998 1.00 0.00 C ATOM 640 OH TYR A 43 15.187 10.638 -3.058 1.00 0.00 O ATOM 0 H TYR A 43 10.716 13.428 -0.242 1.00 0.00 H new ATOM 0 HA TYR A 43 10.127 10.641 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.911 12.926 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.004 11.266 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.510 9.425 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.024 13.616 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.003 8.881 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.517 13.071 -2.273 1.00 0.00 H new ATOM 0 HH TYR A 43 15.494 11.467 -3.481 1.00 0.00 H new ATOM 650 N GLN A 44 8.086 12.048 1.799 1.00 0.00 N ATOM 651 CA GLN A 44 7.111 12.342 2.890 1.00 0.00 C ATOM 652 C GLN A 44 5.980 11.312 2.884 1.00 0.00 C ATOM 653 O GLN A 44 5.872 10.499 1.989 1.00 0.00 O ATOM 654 CB GLN A 44 6.570 13.737 2.573 1.00 0.00 C ATOM 655 CG GLN A 44 5.934 13.735 1.182 1.00 0.00 C ATOM 656 CD GLN A 44 5.611 15.171 0.765 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.472 15.458 -0.408 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.485 16.092 1.681 1.00 0.00 N ATOM 0 H GLN A 44 7.676 11.923 0.873 1.00 0.00 H new ATOM 0 HA GLN A 44 7.572 12.298 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.833 14.031 3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.376 14.469 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.613 13.280 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.025 13.134 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.602 15.852 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.270 17.052 1.413 1.00 0.00 H new ATOM 667 N LYS A 45 5.137 11.339 3.879 1.00 0.00 N ATOM 668 CA LYS A 45 4.020 10.357 3.933 1.00 0.00 C ATOM 669 C LYS A 45 3.351 10.238 2.564 1.00 0.00 C ATOM 670 O LYS A 45 3.020 11.221 1.932 1.00 0.00 O ATOM 671 CB LYS A 45 3.046 10.922 4.964 1.00 0.00 C ATOM 672 CG LYS A 45 3.418 10.408 6.355 1.00 0.00 C ATOM 673 CD LYS A 45 3.238 11.530 7.379 1.00 0.00 C ATOM 674 CE LYS A 45 4.003 11.183 8.658 1.00 0.00 C ATOM 675 NZ LYS A 45 4.094 12.465 9.412 1.00 0.00 N ATOM 0 H LYS A 45 5.174 11.999 4.656 1.00 0.00 H new ATOM 0 HA LYS A 45 4.361 9.358 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.075 12.011 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.026 10.626 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.791 9.556 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.450 10.058 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.602 12.472 6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.180 11.667 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.480 10.421 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.993 10.787 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.607 12.308 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.602 13.169 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.137 12.814 9.620 1.00 0.00 H new ATOM 689 N CYS A 46 3.156 9.036 2.104 1.00 0.00 N ATOM 690 CA CYS A 46 2.515 8.835 0.774 1.00 0.00 C ATOM 691 C CYS A 46 1.267 9.708 0.639 1.00 0.00 C ATOM 692 O CYS A 46 1.031 10.317 -0.386 1.00 0.00 O ATOM 693 CB CYS A 46 2.142 7.353 0.746 1.00 0.00 C ATOM 694 SG CYS A 46 3.633 6.351 0.983 1.00 0.00 S ATOM 0 H CYS A 46 3.414 8.179 2.593 1.00 0.00 H new ATOM 0 HA CYS A 46 3.175 9.111 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.416 7.135 1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.670 7.103 -0.204 1.00 0.00 H new ATOM 699 N ALA A 47 0.463 9.766 1.660 1.00 0.00 N ATOM 700 CA ALA A 47 -0.777 10.591 1.592 1.00 0.00 C ATOM 701 C ALA A 47 -0.548 11.972 2.202 1.00 0.00 C ATOM 702 O ALA A 47 -1.259 12.394 3.092 1.00 0.00 O ATOM 703 CB ALA A 47 -1.804 9.827 2.413 1.00 0.00 C ATOM 0 H ALA A 47 0.609 9.277 2.543 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.097 10.749 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.748 10.371 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.954 8.839 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.446 9.723 3.437 1.00 0.00 H new ATOM 709 N THR A 48 0.433 12.677 1.728 1.00 0.00 N ATOM 710 CA THR A 48 0.710 14.035 2.270 1.00 0.00 C ATOM 711 C THR A 48 -0.582 14.858 2.314 1.00 0.00 C ATOM 712 O THR A 48 -1.662 14.356 2.074 1.00 0.00 O ATOM 713 CB THR A 48 1.709 14.656 1.294 1.00 0.00 C ATOM 714 OG1 THR A 48 2.477 13.626 0.688 1.00 0.00 O ATOM 715 CG2 THR A 48 2.636 15.612 2.045 1.00 0.00 C ATOM 0 H THR A 48 1.061 12.372 0.984 1.00 0.00 H new ATOM 0 HA THR A 48 1.102 14.003 3.287 1.00 0.00 H new ATOM 0 HB THR A 48 1.170 15.209 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.669 12.929 1.349 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.347 16.053 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.045 16.402 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.177 15.063 2.816 1.00 0.00 H new ATOM 723 N ALA A 49 -0.477 16.118 2.622 1.00 0.00 N ATOM 724 CA ALA A 49 -1.696 16.977 2.688 1.00 0.00 C ATOM 725 C ALA A 49 -2.247 17.230 1.283 1.00 0.00 C ATOM 726 O ALA A 49 -3.437 17.391 1.092 1.00 0.00 O ATOM 727 CB ALA A 49 -1.224 18.286 3.322 1.00 0.00 C ATOM 0 H ALA A 49 0.400 16.594 2.832 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.497 16.510 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.065 18.974 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.820 18.085 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.450 18.734 2.699 1.00 0.00 H new ATOM 733 N GLY A 50 -1.394 17.262 0.300 1.00 0.00 N ATOM 734 CA GLY A 50 -1.866 17.500 -1.094 1.00 0.00 C ATOM 735 C GLY A 50 -1.265 16.436 -2.006 1.00 0.00 C ATOM 736 O GLY A 50 -0.641 16.733 -3.006 1.00 0.00 O ATOM 0 H GLY A 50 -0.387 17.133 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.955 17.461 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.570 18.494 -1.428 1.00 0.00 H new ATOM 740 N CYS A 51 -1.436 15.195 -1.654 1.00 0.00 N ATOM 741 CA CYS A 51 -0.866 14.096 -2.479 1.00 0.00 C ATOM 742 C CYS A 51 -1.834 12.905 -2.505 1.00 0.00 C ATOM 743 O CYS A 51 -2.965 13.031 -2.933 1.00 0.00 O ATOM 744 CB CYS A 51 0.440 13.750 -1.763 1.00 0.00 C ATOM 745 SG CYS A 51 1.694 13.296 -2.981 1.00 0.00 S ATOM 0 H CYS A 51 -1.949 14.892 -0.826 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.701 14.369 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.781 14.602 -1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.279 12.926 -1.068 1.00 0.00 H new ATOM 750 N HIS A 52 -1.417 11.757 -2.044 1.00 0.00 N ATOM 751 CA HIS A 52 -2.339 10.583 -2.042 1.00 0.00 C ATOM 752 C HIS A 52 -3.310 10.713 -0.865 1.00 0.00 C ATOM 753 O HIS A 52 -3.456 9.808 -0.069 1.00 0.00 O ATOM 754 CB HIS A 52 -1.443 9.357 -1.836 1.00 0.00 C ATOM 755 CG HIS A 52 -0.641 9.070 -3.067 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.239 8.862 -4.285 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.709 8.926 -3.277 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.268 8.600 -5.180 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.942 8.631 -4.615 1.00 0.00 N ATOM 0 H HIS A 52 -0.484 11.581 -1.671 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.919 10.510 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.774 9.528 -0.993 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.056 8.491 -1.586 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.240 8.899 -4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.472 9.027 -2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.445 8.391 -6.225 1.00 0.00 H new ATOM 767 N ASP A 53 -3.958 11.839 -0.738 1.00 0.00 N ATOM 768 CA ASP A 53 -4.898 12.031 0.404 1.00 0.00 C ATOM 769 C ASP A 53 -6.355 11.875 -0.041 1.00 0.00 C ATOM 770 O ASP A 53 -7.256 12.383 0.597 1.00 0.00 O ATOM 771 CB ASP A 53 -4.639 13.459 0.888 1.00 0.00 C ATOM 772 CG ASP A 53 -4.880 14.439 -0.262 1.00 0.00 C ATOM 773 OD1 ASP A 53 -6.029 14.769 -0.502 1.00 0.00 O ATOM 774 OD2 ASP A 53 -3.910 14.843 -0.882 1.00 0.00 O ATOM 0 H ASP A 53 -3.878 12.633 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.738 11.288 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.296 13.695 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.615 13.552 1.250 1.00 0.00 H new ATOM 779 N ASN A 54 -6.609 11.172 -1.112 1.00 0.00 N ATOM 780 CA ASN A 54 -8.022 10.999 -1.548 1.00 0.00 C ATOM 781 C ASN A 54 -8.680 9.907 -0.702 1.00 0.00 C ATOM 782 O ASN A 54 -8.431 8.731 -0.884 1.00 0.00 O ATOM 783 CB ASN A 54 -7.948 10.585 -3.018 1.00 0.00 C ATOM 784 CG ASN A 54 -9.142 11.168 -3.774 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.884 10.383 -4.506 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -9.404 12.353 -3.698 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.908 10.716 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.615 11.906 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.017 10.939 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.947 9.498 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.825 12.968 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.203 12.732 -4.206 1.00 0.00 H new ATOM 793 N MET A 55 -9.507 10.287 0.234 1.00 0.00 N ATOM 794 CA MET A 55 -10.168 9.273 1.106 1.00 0.00 C ATOM 795 C MET A 55 -11.347 8.628 0.376 1.00 0.00 C ATOM 796 O MET A 55 -12.114 7.884 0.953 1.00 0.00 O ATOM 797 CB MET A 55 -10.656 10.057 2.324 1.00 0.00 C ATOM 798 CG MET A 55 -9.651 9.901 3.468 1.00 0.00 C ATOM 799 SD MET A 55 -8.992 11.525 3.917 1.00 0.00 S ATOM 800 CE MET A 55 -7.238 11.112 3.751 1.00 0.00 C ATOM 0 H MET A 55 -9.754 11.256 0.433 1.00 0.00 H new ATOM 0 HA MET A 55 -9.490 8.466 1.384 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.772 11.110 2.069 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.636 9.694 2.635 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.134 9.441 4.330 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.840 9.238 3.166 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.815 10.916 4.736 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.131 10.225 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.710 11.946 3.289 1.00 0.00 H new ATOM 810 N ASP A 56 -11.494 8.901 -0.890 1.00 0.00 N ATOM 811 CA ASP A 56 -12.620 8.293 -1.651 1.00 0.00 C ATOM 812 C ASP A 56 -12.268 6.857 -2.042 1.00 0.00 C ATOM 813 O ASP A 56 -13.100 6.111 -2.519 1.00 0.00 O ATOM 814 CB ASP A 56 -12.775 9.168 -2.897 1.00 0.00 C ATOM 815 CG ASP A 56 -14.252 9.504 -3.105 1.00 0.00 C ATOM 816 OD1 ASP A 56 -15.058 9.068 -2.299 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.554 10.191 -4.066 1.00 0.00 O ATOM 0 H ASP A 56 -10.885 9.517 -1.429 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.541 8.250 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.195 10.084 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.383 8.647 -3.771 1.00 0.00 H new ATOM 822 N LYS A 57 -11.038 6.463 -1.844 1.00 0.00 N ATOM 823 CA LYS A 57 -10.633 5.073 -2.206 1.00 0.00 C ATOM 824 C LYS A 57 -11.255 4.677 -3.547 1.00 0.00 C ATOM 825 O LYS A 57 -11.487 3.515 -3.818 1.00 0.00 O ATOM 826 CB LYS A 57 -11.171 4.193 -1.077 1.00 0.00 C ATOM 827 CG LYS A 57 -10.979 2.719 -1.438 1.00 0.00 C ATOM 828 CD LYS A 57 -12.335 2.093 -1.770 1.00 0.00 C ATOM 829 CE LYS A 57 -13.105 1.826 -0.475 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.514 2.201 -0.780 1.00 0.00 N ATOM 0 H LYS A 57 -10.298 7.042 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.553 4.971 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.651 4.420 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.228 4.402 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.306 2.627 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.515 2.188 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.907 2.760 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.193 1.162 -2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.030 0.779 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.708 2.419 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.105 2.045 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.555 3.204 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.867 1.616 -1.564 1.00 0.00 H new ATOM 844 N LYS A 58 -11.528 5.637 -4.388 1.00 0.00 N ATOM 845 CA LYS A 58 -12.136 5.319 -5.712 1.00 0.00 C ATOM 846 C LYS A 58 -11.345 5.996 -6.835 1.00 0.00 C ATOM 847 O LYS A 58 -11.367 5.564 -7.970 1.00 0.00 O ATOM 848 CB LYS A 58 -13.555 5.882 -5.640 1.00 0.00 C ATOM 849 CG LYS A 58 -13.499 7.411 -5.631 1.00 0.00 C ATOM 850 CD LYS A 58 -13.960 7.948 -6.988 1.00 0.00 C ATOM 851 CE LYS A 58 -13.081 9.133 -7.394 1.00 0.00 C ATOM 852 NZ LYS A 58 -13.355 9.334 -8.844 1.00 0.00 N ATOM 0 H LYS A 58 -11.356 6.628 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.132 4.250 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.139 5.534 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.056 5.521 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.135 7.804 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.483 7.747 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.900 7.162 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.004 8.258 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.329 10.024 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.026 8.922 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.788 10.131 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.103 8.471 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.365 9.540 -8.981 1.00 0.00 H new ATOM 866 N ASP A 59 -10.645 7.056 -6.528 1.00 0.00 N ATOM 867 CA ASP A 59 -9.854 7.756 -7.581 1.00 0.00 C ATOM 868 C ASP A 59 -8.819 6.806 -8.186 1.00 0.00 C ATOM 869 O ASP A 59 -7.876 6.403 -7.534 1.00 0.00 O ATOM 870 CB ASP A 59 -9.162 8.910 -6.854 1.00 0.00 C ATOM 871 CG ASP A 59 -8.045 9.472 -7.736 1.00 0.00 C ATOM 872 OD1 ASP A 59 -8.322 9.775 -8.884 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.934 9.588 -7.248 1.00 0.00 O ATOM 0 H ASP A 59 -10.587 7.466 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.479 8.107 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.884 9.692 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.751 8.563 -5.906 1.00 0.00 H new ATOM 878 N LYS A 60 -8.987 6.444 -9.428 1.00 0.00 N ATOM 879 CA LYS A 60 -8.012 5.519 -10.073 1.00 0.00 C ATOM 880 C LYS A 60 -6.856 6.315 -10.687 1.00 0.00 C ATOM 881 O LYS A 60 -6.192 5.861 -11.597 1.00 0.00 O ATOM 882 CB LYS A 60 -8.807 4.801 -11.164 1.00 0.00 C ATOM 883 CG LYS A 60 -8.844 3.301 -10.865 1.00 0.00 C ATOM 884 CD LYS A 60 -7.422 2.739 -10.895 1.00 0.00 C ATOM 885 CE LYS A 60 -6.960 2.591 -12.346 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.503 1.178 -12.462 1.00 0.00 N ATOM 0 H LYS A 60 -9.757 6.748 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.574 4.819 -9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.821 5.198 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.350 4.977 -12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.295 3.125 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.465 2.788 -11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.747 3.401 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.391 1.772 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.772 2.802 -13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.153 3.287 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.170 0.999 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.726 1.008 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.294 0.538 -12.244 1.00 0.00 H new ATOM 900 N SER A 61 -6.614 7.500 -10.195 1.00 0.00 N ATOM 901 CA SER A 61 -5.502 8.324 -10.751 1.00 0.00 C ATOM 902 C SER A 61 -4.255 8.196 -9.870 1.00 0.00 C ATOM 903 O SER A 61 -4.103 7.245 -9.127 1.00 0.00 O ATOM 904 CB SER A 61 -6.026 9.758 -10.734 1.00 0.00 C ATOM 905 OG SER A 61 -5.630 10.418 -11.930 1.00 0.00 O ATOM 0 H SER A 61 -7.137 7.933 -9.434 1.00 0.00 H new ATOM 0 HA SER A 61 -5.215 8.007 -11.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.113 9.759 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.636 10.289 -9.866 1.00 0.00 H new ATOM 0 HG SER A 61 -5.967 11.338 -11.923 1.00 0.00 H new ATOM 911 N ALA A 62 -3.363 9.144 -9.946 1.00 0.00 N ATOM 912 CA ALA A 62 -2.128 9.076 -9.113 1.00 0.00 C ATOM 913 C ALA A 62 -2.270 9.971 -7.878 1.00 0.00 C ATOM 914 O ALA A 62 -1.294 10.357 -7.265 1.00 0.00 O ATOM 915 CB ALA A 62 -1.010 9.589 -10.021 1.00 0.00 C ATOM 0 H ALA A 62 -3.435 9.964 -10.549 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.930 8.067 -8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.064 9.570 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.936 8.952 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.232 10.611 -10.329 1.00 0.00 H new ATOM 921 N LYS A 63 -3.476 10.309 -7.513 1.00 0.00 N ATOM 922 CA LYS A 63 -3.677 11.182 -6.320 1.00 0.00 C ATOM 923 C LYS A 63 -4.497 10.452 -5.256 1.00 0.00 C ATOM 924 O LYS A 63 -4.657 10.927 -4.150 1.00 0.00 O ATOM 925 CB LYS A 63 -4.451 12.391 -6.841 1.00 0.00 C ATOM 926 CG LYS A 63 -3.853 13.674 -6.259 1.00 0.00 C ATOM 927 CD LYS A 63 -2.757 14.196 -7.189 1.00 0.00 C ATOM 928 CE LYS A 63 -3.226 15.492 -7.854 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.083 15.921 -8.708 1.00 0.00 N ATOM 0 H LYS A 63 -4.331 10.019 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.731 11.464 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.410 12.420 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.502 12.309 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.631 14.428 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.441 13.479 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.842 14.375 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.523 13.449 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.124 15.328 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.471 16.251 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.328 16.805 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.244 16.076 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.877 15.182 -9.410 1.00 0.00 H new ATOM 943 N GLY A 64 -5.022 9.305 -5.581 1.00 0.00 N ATOM 944 CA GLY A 64 -5.832 8.557 -4.590 1.00 0.00 C ATOM 945 C GLY A 64 -4.906 7.856 -3.603 1.00 0.00 C ATOM 946 O GLY A 64 -3.801 7.472 -3.930 1.00 0.00 O ATOM 0 H GLY A 64 -4.923 8.855 -6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.498 9.238 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.462 7.826 -5.097 1.00 0.00 H new ATOM 950 N TYR A 65 -5.354 7.693 -2.397 1.00 0.00 N ATOM 951 CA TYR A 65 -4.512 7.022 -1.371 1.00 0.00 C ATOM 952 C TYR A 65 -4.632 5.502 -1.489 1.00 0.00 C ATOM 953 O TYR A 65 -3.653 4.788 -1.452 1.00 0.00 O ATOM 954 CB TYR A 65 -5.077 7.486 -0.031 1.00 0.00 C ATOM 955 CG TYR A 65 -4.114 7.106 1.067 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.742 7.327 0.900 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.591 6.528 2.249 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.847 6.971 1.915 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.695 6.171 3.263 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.323 6.393 3.096 1.00 0.00 C ATOM 961 OH TYR A 65 -1.439 6.041 4.096 1.00 0.00 O ATOM 0 H TYR A 65 -6.272 7.996 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.457 7.270 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.230 8.565 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.050 7.028 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.374 7.772 -0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.650 6.358 2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.789 7.143 1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.062 5.724 4.175 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.294 6.808 4.689 1.00 0.00 H new ATOM 971 N TYR A 66 -5.829 5.005 -1.620 1.00 0.00 N ATOM 972 CA TYR A 66 -6.020 3.534 -1.724 1.00 0.00 C ATOM 973 C TYR A 66 -5.530 3.027 -3.087 1.00 0.00 C ATOM 974 O TYR A 66 -4.969 1.954 -3.192 1.00 0.00 O ATOM 975 CB TYR A 66 -7.532 3.349 -1.554 1.00 0.00 C ATOM 976 CG TYR A 66 -8.013 2.171 -2.360 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.084 2.266 -3.752 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.389 0.989 -1.714 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.533 1.173 -4.504 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.837 -0.104 -2.463 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.909 -0.012 -3.860 1.00 0.00 C ATOM 982 OH TYR A 66 -9.351 -1.090 -4.600 1.00 0.00 O ATOM 0 H TYR A 66 -6.686 5.557 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.455 2.970 -0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.770 3.198 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.053 4.252 -1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.793 3.181 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.333 0.920 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.589 1.244 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.127 -1.018 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.570 -1.832 -3.998 1.00 0.00 H new ATOM 992 N HIS A 67 -5.729 3.786 -4.129 1.00 0.00 N ATOM 993 CA HIS A 67 -5.265 3.336 -5.474 1.00 0.00 C ATOM 994 C HIS A 67 -3.772 2.998 -5.438 1.00 0.00 C ATOM 995 O HIS A 67 -3.380 1.852 -5.533 1.00 0.00 O ATOM 996 CB HIS A 67 -5.519 4.525 -6.402 1.00 0.00 C ATOM 997 CG HIS A 67 -4.673 4.377 -7.636 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.032 3.536 -8.675 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.471 4.930 -7.998 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.061 3.600 -9.602 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.085 4.437 -9.241 1.00 0.00 N ATOM 0 H HIS A 67 -6.191 4.695 -4.109 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.786 2.438 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.574 4.572 -6.673 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.279 5.458 -5.892 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.879 2.971 -8.728 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.910 5.640 -7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.069 3.042 -10.527 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.939 3.992 -5.313 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.469 3.742 -5.284 1.00 0.00 C ATOM 1011 C ALA A 68 -1.124 2.589 -4.334 1.00 0.00 C ATOM 1012 O ALA A 68 -0.068 1.998 -4.429 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.860 5.049 -4.774 1.00 0.00 C ATOM 0 H ALA A 68 -3.213 4.971 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.088 3.458 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.224 4.950 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.118 5.861 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.252 5.270 -3.781 1.00 0.00 H new ATOM 1019 N MET A 69 -1.985 2.273 -3.407 1.00 0.00 N ATOM 1020 CA MET A 69 -1.671 1.170 -2.452 1.00 0.00 C ATOM 1021 C MET A 69 -2.155 -0.184 -2.969 1.00 0.00 C ATOM 1022 O MET A 69 -1.466 -1.175 -2.846 1.00 0.00 O ATOM 1023 CB MET A 69 -2.413 1.542 -1.175 1.00 0.00 C ATOM 1024 CG MET A 69 -1.844 2.847 -0.624 1.00 0.00 C ATOM 1025 SD MET A 69 -0.851 2.502 0.850 1.00 0.00 S ATOM 1026 CE MET A 69 0.485 3.671 0.498 1.00 0.00 C ATOM 0 H MET A 69 -2.888 2.727 -3.268 1.00 0.00 H new ATOM 0 HA MET A 69 -0.596 1.067 -2.304 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.478 1.653 -1.379 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.311 0.747 -0.437 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.231 3.337 -1.381 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.654 3.533 -0.377 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.261 3.576 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.908 3.455 -0.483 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.091 4.687 0.508 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.332 -0.249 -3.520 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.838 -1.562 -4.006 1.00 0.00 C ATOM 1038 C HIS A 70 -3.662 -1.700 -5.519 1.00 0.00 C ATOM 1039 O HIS A 70 -3.751 -2.782 -6.065 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.322 -1.562 -3.651 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.494 -1.119 -2.230 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.876 0.170 -1.902 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.349 -1.783 -1.040 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.949 0.242 -0.562 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.639 -0.921 0.011 1.00 0.00 N ATOM 0 H HIS A 70 -3.962 0.542 -3.655 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.295 -2.393 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.867 -0.896 -4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.739 -2.560 -3.785 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.067 0.927 -2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.055 -2.817 -0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.225 1.132 -0.017 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.427 -0.620 -6.205 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.267 -0.705 -7.681 1.00 0.00 C ATOM 1055 C ASP A 71 -1.842 -1.125 -8.051 1.00 0.00 C ATOM 1056 O ASP A 71 -0.877 -0.490 -7.674 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.567 0.704 -8.178 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.075 0.946 -8.120 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.633 0.824 -7.042 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.647 1.247 -9.155 1.00 0.00 O ATOM 0 H ASP A 71 -3.339 0.316 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.926 -1.449 -8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.045 1.438 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.206 0.827 -9.199 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.707 -2.193 -8.792 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.348 -2.658 -9.195 1.00 0.00 C ATOM 1067 C LYS A 72 0.109 -1.916 -10.452 1.00 0.00 C ATOM 1068 O LYS A 72 1.224 -1.440 -10.533 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.509 -4.151 -9.481 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.288 -4.809 -8.341 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.624 -5.334 -8.870 1.00 0.00 C ATOM 1072 CE LYS A 72 -3.740 -4.979 -7.886 1.00 0.00 C ATOM 1073 NZ LYS A 72 -4.869 -5.883 -8.242 1.00 0.00 N ATOM 0 H LYS A 72 -2.480 -2.763 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 72 0.400 -2.470 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.034 -4.296 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.470 -4.620 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.707 -5.627 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.460 -4.089 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.835 -4.900 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.574 -6.414 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.421 -5.133 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.029 -3.932 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.674 -5.699 -7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.156 -5.709 -9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.567 -6.873 -8.139 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.748 -1.806 -11.427 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.369 -1.087 -12.678 1.00 0.00 C ATOM 1089 C GLY A 73 -0.246 0.407 -12.377 1.00 0.00 C ATOM 1090 O GLY A 73 -0.899 1.232 -12.985 1.00 0.00 O ATOM 0 H GLY A 73 -1.696 -2.183 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.575 -1.472 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.119 -1.255 -13.450 1.00 0.00 H new ATOM 1094 N THR A 74 0.582 0.756 -11.432 1.00 0.00 N ATOM 1095 CA THR A 74 0.750 2.192 -11.071 1.00 0.00 C ATOM 1096 C THR A 74 2.094 2.720 -11.579 1.00 0.00 C ATOM 1097 O THR A 74 3.018 1.965 -11.805 1.00 0.00 O ATOM 1098 CB THR A 74 0.725 2.200 -9.542 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.509 1.119 -9.056 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.714 2.047 -9.047 1.00 0.00 C ATOM 0 H THR A 74 1.152 0.105 -10.892 1.00 0.00 H new ATOM 0 HA THR A 74 -0.022 2.824 -11.510 1.00 0.00 H new ATOM 0 HB THR A 74 1.131 3.144 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.449 1.264 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.726 2.053 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.317 2.874 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.125 1.105 -9.409 1.00 0.00 H new ATOM 1108 N LYS A 75 2.214 4.012 -11.753 1.00 0.00 N ATOM 1109 CA LYS A 75 3.505 4.581 -12.234 1.00 0.00 C ATOM 1110 C LYS A 75 4.670 3.831 -11.582 1.00 0.00 C ATOM 1111 O LYS A 75 5.576 3.369 -12.248 1.00 0.00 O ATOM 1112 CB LYS A 75 3.498 6.044 -11.769 1.00 0.00 C ATOM 1113 CG LYS A 75 4.584 6.846 -12.504 1.00 0.00 C ATOM 1114 CD LYS A 75 5.681 5.915 -13.030 1.00 0.00 C ATOM 1115 CE LYS A 75 6.687 6.724 -13.852 1.00 0.00 C ATOM 1116 NZ LYS A 75 7.950 5.938 -13.797 1.00 0.00 N ATOM 0 H LYS A 75 1.475 4.694 -11.583 1.00 0.00 H new ATOM 0 HA LYS A 75 3.618 4.497 -13.315 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.520 6.487 -11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.668 6.091 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.139 7.396 -13.333 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.018 7.583 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.186 5.424 -12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.242 5.129 -13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.346 6.851 -14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.825 7.722 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.653 6.365 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.318 5.939 -12.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.763 4.959 -14.095 1.00 0.00 H new ATOM 1130 N PHE A 76 4.652 3.710 -10.283 1.00 0.00 N ATOM 1131 CA PHE A 76 5.757 2.994 -9.584 1.00 0.00 C ATOM 1132 C PHE A 76 5.229 1.735 -8.906 1.00 0.00 C ATOM 1133 O PHE A 76 4.053 1.438 -8.967 1.00 0.00 O ATOM 1134 CB PHE A 76 6.256 3.972 -8.529 1.00 0.00 C ATOM 1135 CG PHE A 76 6.629 5.264 -9.201 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.827 5.367 -9.914 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.761 6.358 -9.123 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.157 6.568 -10.552 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.091 7.557 -9.757 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.287 7.662 -10.471 1.00 0.00 C ATOM 0 H PHE A 76 3.920 4.076 -9.675 1.00 0.00 H new ATOM 0 HA PHE A 76 6.542 2.687 -10.275 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.483 4.146 -7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.118 3.556 -8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.496 4.522 -9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.836 6.275 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.081 6.651 -11.106 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.422 8.403 -9.696 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.541 8.590 -10.962 1.00 0.00 H new ATOM 1150 N LYS A 77 6.076 1.000 -8.237 1.00 0.00 N ATOM 1151 CA LYS A 77 5.576 -0.212 -7.549 1.00 0.00 C ATOM 1152 C LYS A 77 4.835 0.210 -6.285 1.00 0.00 C ATOM 1153 O LYS A 77 5.394 0.770 -5.364 1.00 0.00 O ATOM 1154 CB LYS A 77 6.796 -1.059 -7.218 1.00 0.00 C ATOM 1155 CG LYS A 77 7.753 -0.284 -6.315 1.00 0.00 C ATOM 1156 CD LYS A 77 9.087 -1.031 -6.245 1.00 0.00 C ATOM 1157 CE LYS A 77 9.592 -1.309 -7.663 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.225 -2.727 -7.931 1.00 0.00 N ATOM 0 H LYS A 77 7.074 1.186 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 77 4.883 -0.783 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.484 -1.979 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.306 -1.348 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.905 0.723 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.327 -0.179 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.819 -0.439 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.963 -1.968 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.128 -0.638 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.669 -1.160 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.069 -3.327 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.505 -3.035 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.844 -2.811 -8.895 1.00 0.00 H new ATOM 1172 N SER A 78 3.567 -0.038 -6.269 1.00 0.00 N ATOM 1173 CA SER A 78 2.718 0.355 -5.107 1.00 0.00 C ATOM 1174 C SER A 78 2.866 -0.635 -3.951 1.00 0.00 C ATOM 1175 O SER A 78 3.554 -1.630 -4.051 1.00 0.00 O ATOM 1176 CB SER A 78 1.293 0.312 -5.650 1.00 0.00 C ATOM 1177 OG SER A 78 1.207 -0.680 -6.665 1.00 0.00 O ATOM 0 H SER A 78 3.065 -0.506 -7.024 1.00 0.00 H new ATOM 0 HA SER A 78 2.997 1.332 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.592 0.088 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.015 1.286 -6.053 1.00 0.00 H new ATOM 0 HG SER A 78 0.550 -0.404 -7.338 1.00 0.00 H new ATOM 1183 N CYS A 79 2.208 -0.366 -2.853 1.00 0.00 N ATOM 1184 CA CYS A 79 2.289 -1.288 -1.687 1.00 0.00 C ATOM 1185 C CYS A 79 1.795 -2.675 -2.101 1.00 0.00 C ATOM 1186 O CYS A 79 2.552 -3.624 -2.158 1.00 0.00 O ATOM 1187 CB CYS A 79 1.367 -0.669 -0.636 1.00 0.00 C ATOM 1188 SG CYS A 79 1.832 1.063 -0.364 1.00 0.00 S ATOM 0 H CYS A 79 1.618 0.454 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 79 3.304 -1.409 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.330 -0.730 -0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.438 -1.226 0.298 1.00 0.00 H new ATOM 1193 N VAL A 80 0.534 -2.793 -2.413 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.006 -4.113 -2.850 1.00 0.00 C ATOM 1195 C VAL A 80 0.612 -4.491 -4.199 1.00 0.00 C ATOM 1196 O VAL A 80 0.773 -5.653 -4.518 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.513 -3.899 -2.990 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.122 -5.044 -3.799 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.160 -3.857 -1.597 1.00 0.00 C ATOM 0 H VAL A 80 -0.146 -2.033 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 80 0.221 -4.916 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.695 -2.955 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.196 -4.889 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.667 -5.072 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.937 -5.989 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.234 -3.704 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.975 -4.799 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.730 -3.038 -1.021 1.00 0.00 H new ATOM 1209 N GLY A 81 0.967 -3.512 -4.990 1.00 0.00 N ATOM 1210 CA GLY A 81 1.583 -3.804 -6.315 1.00 0.00 C ATOM 1211 C GLY A 81 2.976 -4.396 -6.098 1.00 0.00 C ATOM 1212 O GLY A 81 3.363 -5.351 -6.741 1.00 0.00 O ATOM 0 H GLY A 81 0.856 -2.521 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.960 -4.503 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.650 -2.892 -6.908 1.00 0.00 H new ATOM 1216 N CYS A 82 3.724 -3.847 -5.181 1.00 0.00 N ATOM 1217 CA CYS A 82 5.083 -4.393 -4.903 1.00 0.00 C ATOM 1218 C CYS A 82 4.937 -5.632 -4.031 1.00 0.00 C ATOM 1219 O CYS A 82 5.801 -6.484 -3.976 1.00 0.00 O ATOM 1220 CB CYS A 82 5.816 -3.290 -4.139 1.00 0.00 C ATOM 1221 SG CYS A 82 7.604 -3.510 -4.323 1.00 0.00 S ATOM 0 H CYS A 82 3.454 -3.045 -4.612 1.00 0.00 H new ATOM 0 HA CYS A 82 5.622 -4.673 -5.808 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.519 -2.312 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.542 -3.320 -3.084 1.00 0.00 H new ATOM 1226 N HIS A 83 3.833 -5.727 -3.350 1.00 0.00 N ATOM 1227 CA HIS A 83 3.585 -6.894 -2.470 1.00 0.00 C ATOM 1228 C HIS A 83 3.220 -8.117 -3.319 1.00 0.00 C ATOM 1229 O HIS A 83 3.885 -9.132 -3.273 1.00 0.00 O ATOM 1230 CB HIS A 83 2.422 -6.446 -1.585 1.00 0.00 C ATOM 1231 CG HIS A 83 2.975 -5.731 -0.385 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.267 -5.608 0.799 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.173 -5.097 -0.173 1.00 0.00 C ATOM 1234 CE1 HIS A 83 3.038 -4.929 1.664 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.210 -4.593 1.122 1.00 0.00 N ATOM 0 H HIS A 83 3.083 -5.036 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 83 4.451 -7.188 -1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.755 -5.788 -2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.832 -7.307 -1.272 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.330 -5.968 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.966 -5.004 -0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.745 -4.685 2.674 1.00 0.00 H new ATOM 1243 N LEU A 84 2.185 -8.025 -4.111 1.00 0.00 N ATOM 1244 CA LEU A 84 1.807 -9.173 -4.971 1.00 0.00 C ATOM 1245 C LEU A 84 3.031 -9.654 -5.754 1.00 0.00 C ATOM 1246 O LEU A 84 3.172 -10.822 -6.054 1.00 0.00 O ATOM 1247 CB LEU A 84 0.753 -8.600 -5.912 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.482 -9.495 -5.892 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.699 -8.695 -6.359 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.264 -10.688 -6.825 1.00 0.00 C ATOM 0 H LEU A 84 1.588 -7.203 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 84 1.435 -10.029 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.488 -7.588 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.151 -8.533 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.653 -9.856 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.582 -9.334 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.854 -7.847 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.529 -8.333 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.147 -11.327 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.092 -10.330 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.603 -11.258 -6.490 1.00 0.00 H new ATOM 1262 N GLU A 85 3.923 -8.756 -6.077 1.00 0.00 N ATOM 1263 CA GLU A 85 5.145 -9.153 -6.832 1.00 0.00 C ATOM 1264 C GLU A 85 6.228 -9.621 -5.856 1.00 0.00 C ATOM 1265 O GLU A 85 6.848 -10.648 -6.048 1.00 0.00 O ATOM 1266 CB GLU A 85 5.591 -7.886 -7.563 1.00 0.00 C ATOM 1267 CG GLU A 85 5.730 -8.182 -9.058 1.00 0.00 C ATOM 1268 CD GLU A 85 6.674 -9.369 -9.258 1.00 0.00 C ATOM 1269 OE1 GLU A 85 7.582 -9.521 -8.457 1.00 0.00 O ATOM 1270 OE2 GLU A 85 6.473 -10.105 -10.210 1.00 0.00 O ATOM 0 H GLU A 85 3.857 -7.764 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 85 4.959 -9.974 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.866 -7.088 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.542 -7.537 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.753 -8.404 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.116 -7.305 -9.579 1.00 0.00 H new ATOM 1277 N THR A 86 6.453 -8.879 -4.805 1.00 0.00 N ATOM 1278 CA THR A 86 7.489 -9.287 -3.814 1.00 0.00 C ATOM 1279 C THR A 86 7.111 -10.639 -3.202 1.00 0.00 C ATOM 1280 O THR A 86 7.908 -11.279 -2.544 1.00 0.00 O ATOM 1281 CB THR A 86 7.481 -8.185 -2.749 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.239 -7.078 -3.213 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.093 -8.715 -1.449 1.00 0.00 C ATOM 0 H THR A 86 5.965 -8.009 -4.590 1.00 0.00 H new ATOM 0 HA THR A 86 8.476 -9.402 -4.262 1.00 0.00 H new ATOM 0 HB THR A 86 6.454 -7.873 -2.560 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.652 -6.458 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.085 -7.927 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.510 -9.564 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.120 -9.031 -1.633 1.00 0.00 H new ATOM 1291 N ALA A 87 5.900 -11.077 -3.418 1.00 0.00 N ATOM 1292 CA ALA A 87 5.468 -12.386 -2.853 1.00 0.00 C ATOM 1293 C ALA A 87 5.943 -13.529 -3.755 1.00 0.00 C ATOM 1294 O ALA A 87 6.291 -14.597 -3.291 1.00 0.00 O ATOM 1295 CB ALA A 87 3.940 -12.321 -2.823 1.00 0.00 C ATOM 0 H ALA A 87 5.191 -10.584 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 87 5.884 -12.569 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.544 -13.252 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.624 -11.488 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.562 -12.176 -3.835 1.00 0.00 H new ATOM 1301 N GLY A 88 5.963 -13.308 -5.039 1.00 0.00 N ATOM 1302 CA GLY A 88 6.420 -14.375 -5.975 1.00 0.00 C ATOM 1303 C GLY A 88 5.541 -15.617 -5.816 1.00 0.00 C ATOM 1304 O GLY A 88 5.981 -16.641 -5.333 1.00 0.00 O ATOM 0 H GLY A 88 5.682 -12.433 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.373 -14.014 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.461 -14.627 -5.773 1.00 0.00 H new ATOM 1308 N ALA A 89 4.303 -15.537 -6.223 1.00 0.00 N ATOM 1309 CA ALA A 89 3.397 -16.716 -6.099 1.00 0.00 C ATOM 1310 C ALA A 89 3.625 -17.426 -4.764 1.00 0.00 C ATOM 1311 O ALA A 89 3.961 -18.592 -4.715 1.00 0.00 O ATOM 1312 CB ALA A 89 3.783 -17.631 -7.251 1.00 0.00 C ATOM 0 H ALA A 89 3.879 -14.706 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 89 2.346 -16.429 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.160 -18.525 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.636 -17.108 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.830 -17.917 -7.154 1.00 0.00 H new ATOM 1318 N ASP A 90 3.440 -16.727 -3.686 1.00 0.00 N ATOM 1319 CA ASP A 90 3.636 -17.338 -2.350 1.00 0.00 C ATOM 1320 C ASP A 90 2.416 -17.055 -1.480 1.00 0.00 C ATOM 1321 O ASP A 90 2.365 -16.086 -0.749 1.00 0.00 O ATOM 1322 CB ASP A 90 4.877 -16.653 -1.795 1.00 0.00 C ATOM 1323 CG ASP A 90 5.161 -17.166 -0.382 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.508 -18.112 0.026 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.029 -16.605 0.267 1.00 0.00 O ATOM 0 H ASP A 90 3.158 -15.747 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 90 3.757 -18.421 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.732 -16.849 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.731 -15.573 -1.778 1.00 0.00 H new ATOM 1330 N ALA A 91 1.430 -17.894 -1.576 1.00 0.00 N ATOM 1331 CA ALA A 91 0.184 -17.695 -0.778 1.00 0.00 C ATOM 1332 C ALA A 91 0.524 -17.164 0.615 1.00 0.00 C ATOM 1333 O ALA A 91 -0.247 -16.445 1.219 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.451 -19.082 -0.681 1.00 0.00 C ATOM 0 H ALA A 91 1.429 -18.718 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.487 -16.970 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.375 -19.020 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.670 -19.453 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.239 -19.764 -0.185 1.00 0.00 H new ATOM 1340 N ALA A 92 1.679 -17.490 1.120 1.00 0.00 N ATOM 1341 CA ALA A 92 2.069 -16.978 2.463 1.00 0.00 C ATOM 1342 C ALA A 92 2.460 -15.510 2.331 1.00 0.00 C ATOM 1343 O ALA A 92 2.035 -14.666 3.094 1.00 0.00 O ATOM 1344 CB ALA A 92 3.268 -17.825 2.888 1.00 0.00 C ATOM 0 H ALA A 92 2.369 -18.087 0.663 1.00 0.00 H new ATOM 0 HA ALA A 92 1.265 -17.045 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.610 -17.503 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.975 -18.874 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.075 -17.703 2.165 1.00 0.00 H new ATOM 1350 N LYS A 93 3.255 -15.205 1.349 1.00 0.00 N ATOM 1351 CA LYS A 93 3.670 -13.797 1.131 1.00 0.00 C ATOM 1352 C LYS A 93 2.527 -13.024 0.469 1.00 0.00 C ATOM 1353 O LYS A 93 2.411 -11.824 0.609 1.00 0.00 O ATOM 1354 CB LYS A 93 4.869 -13.893 0.195 1.00 0.00 C ATOM 1355 CG LYS A 93 6.156 -13.870 1.017 1.00 0.00 C ATOM 1356 CD LYS A 93 7.355 -13.672 0.089 1.00 0.00 C ATOM 1357 CE LYS A 93 8.048 -12.349 0.427 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.146 -12.224 -0.571 1.00 0.00 N ATOM 0 H LYS A 93 3.638 -15.876 0.683 1.00 0.00 H new ATOM 0 HA LYS A 93 3.917 -13.276 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.815 -14.811 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.861 -13.063 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.116 -13.066 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.262 -14.803 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.055 -14.500 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.027 -13.668 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.354 -11.511 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.438 -12.357 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.779 -11.446 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.685 -13.113 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.742 -12.026 -1.509 1.00 0.00 H new ATOM 1372 N LYS A 94 1.674 -13.709 -0.242 1.00 0.00 N ATOM 1373 CA LYS A 94 0.532 -13.014 -0.899 1.00 0.00 C ATOM 1374 C LYS A 94 -0.518 -12.654 0.153 1.00 0.00 C ATOM 1375 O LYS A 94 -1.260 -11.702 0.008 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.028 -14.021 -1.903 1.00 0.00 C ATOM 1377 CG LYS A 94 0.423 -13.636 -3.315 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.549 -14.226 -4.340 1.00 0.00 C ATOM 1379 CE LYS A 94 0.238 -15.000 -5.401 1.00 0.00 C ATOM 1380 NZ LYS A 94 -0.495 -14.757 -6.675 1.00 0.00 N ATOM 0 H LYS A 94 1.718 -14.716 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 94 0.830 -12.088 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.319 -15.025 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.117 -14.038 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.458 -12.551 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.432 -14.006 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.260 -14.887 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.127 -13.430 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.268 -14.648 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.279 -16.063 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.016 -15.256 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.470 -15.108 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.512 -13.737 -6.877 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.575 -13.406 1.220 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.564 -13.108 2.294 1.00 0.00 C ATOM 1396 C LYS A 95 -0.980 -12.063 3.249 1.00 0.00 C ATOM 1397 O LYS A 95 -1.695 -11.386 3.962 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.779 -14.443 3.013 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.638 -14.693 4.001 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.138 -14.458 5.428 1.00 0.00 C ATOM 1401 CE LYS A 95 -1.867 -15.708 5.926 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.837 -16.783 5.919 1.00 0.00 N ATOM 0 H LYS A 95 0.022 -14.215 1.393 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.501 -12.705 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.733 -14.432 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.826 -15.254 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.270 -15.714 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.198 -14.028 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.299 -14.227 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.808 -13.599 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.272 -15.556 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.706 -15.961 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.885 -17.315 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.013 -17.427 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.107 -16.359 5.819 1.00 0.00 H new ATOM 1416 N GLU A 96 0.316 -11.928 3.258 1.00 0.00 N ATOM 1417 CA GLU A 96 0.970 -10.930 4.152 1.00 0.00 C ATOM 1418 C GLU A 96 1.227 -9.642 3.376 1.00 0.00 C ATOM 1419 O GLU A 96 1.006 -8.548 3.858 1.00 0.00 O ATOM 1420 CB GLU A 96 2.289 -11.585 4.555 1.00 0.00 C ATOM 1421 CG GLU A 96 3.226 -11.649 3.360 1.00 0.00 C ATOM 1422 CD GLU A 96 4.583 -12.196 3.812 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.614 -13.306 4.315 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.568 -11.494 3.645 1.00 0.00 O ATOM 0 H GLU A 96 0.957 -12.471 2.679 1.00 0.00 H new ATOM 0 HA GLU A 96 0.361 -10.669 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.754 -11.018 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.104 -12.589 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.803 -12.288 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.347 -10.657 2.924 1.00 0.00 H new ATOM 1431 N LEU A 97 1.697 -9.778 2.177 1.00 0.00 N ATOM 1432 CA LEU A 97 1.985 -8.583 1.335 1.00 0.00 C ATOM 1433 C LEU A 97 0.694 -8.025 0.737 1.00 0.00 C ATOM 1434 O LEU A 97 0.299 -6.913 1.023 1.00 0.00 O ATOM 1435 CB LEU A 97 2.904 -9.104 0.236 1.00 0.00 C ATOM 1436 CG LEU A 97 4.164 -9.688 0.871 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.226 -9.871 -0.204 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.689 -8.733 1.946 1.00 0.00 C ATOM 0 H LEU A 97 1.898 -10.674 1.734 1.00 0.00 H new ATOM 0 HA LEU A 97 2.438 -7.772 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.392 -9.866 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.167 -8.297 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 97 3.930 -10.650 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.128 -10.288 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.854 -10.550 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.457 -8.906 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.588 -9.152 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.925 -7.770 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.928 -8.596 2.714 1.00 0.00 H new ATOM 1450 N THR A 98 0.035 -8.779 -0.091 1.00 0.00 N ATOM 1451 CA THR A 98 -1.225 -8.272 -0.705 1.00 0.00 C ATOM 1452 C THR A 98 -2.435 -8.649 0.143 1.00 0.00 C ATOM 1453 O THR A 98 -3.489 -8.056 0.031 1.00 0.00 O ATOM 1454 CB THR A 98 -1.304 -8.948 -2.068 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.148 -10.352 -1.909 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.193 -8.407 -2.968 1.00 0.00 C ATOM 0 H THR A 98 0.310 -9.721 -0.371 1.00 0.00 H new ATOM 0 HA THR A 98 -1.225 -7.185 -0.782 1.00 0.00 H new ATOM 0 HB THR A 98 -2.272 -8.741 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.381 -10.605 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.248 -8.890 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.314 -7.330 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.776 -8.615 -2.515 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.299 -9.623 0.990 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.452 -10.017 1.836 1.00 0.00 C ATOM 1466 C GLY A 99 -4.066 -8.763 2.445 1.00 0.00 C ATOM 1467 O GLY A 99 -3.397 -7.969 3.071 1.00 0.00 O ATOM 0 H GLY A 99 -1.445 -10.161 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.193 -10.549 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.128 -10.698 2.622 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.334 -8.568 2.268 1.00 0.00 N ATOM 1472 CA CYS A 100 -5.971 -7.358 2.855 1.00 0.00 C ATOM 1473 C CYS A 100 -6.234 -7.593 4.334 1.00 0.00 C ATOM 1474 O CYS A 100 -5.684 -6.937 5.184 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.305 -7.151 2.139 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.343 -8.034 0.552 1.00 0.00 S ATOM 0 H CYS A 100 -5.957 -9.185 1.748 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.325 -6.488 2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.119 -7.502 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.469 -6.087 1.970 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.078 -8.525 4.644 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.376 -8.792 6.075 1.00 0.00 C ATOM 1483 C LYS A 101 -6.572 -9.996 6.572 1.00 0.00 C ATOM 1484 O LYS A 101 -6.796 -11.117 6.159 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.875 -9.086 6.123 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.651 -7.878 5.591 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.151 -8.115 5.774 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.934 -7.048 5.005 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.275 -7.015 5.652 1.00 0.00 N ATOM 0 H LYS A 101 -7.575 -9.113 3.975 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.108 -7.951 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.102 -9.969 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.180 -9.306 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.347 -6.975 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.423 -7.721 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.420 -9.108 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.409 -8.079 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.442 -6.077 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.012 -7.301 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.871 -6.306 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.722 -7.951 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.170 -6.765 6.656 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.639 -9.774 7.457 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.824 -10.905 7.981 1.00 0.00 C ATOM 1505 C GLY A 102 -3.391 -10.795 7.456 1.00 0.00 C ATOM 1506 O GLY A 102 -2.527 -11.570 7.815 1.00 0.00 O ATOM 0 H GLY A 102 -5.406 -8.858 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.824 -10.892 9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.262 -11.855 7.674 1.00 0.00 H new ATOM 1510 N SER A 103 -3.130 -9.839 6.607 1.00 0.00 N ATOM 1511 CA SER A 103 -1.753 -9.682 6.060 1.00 0.00 C ATOM 1512 C SER A 103 -0.873 -8.907 7.040 1.00 0.00 C ATOM 1513 O SER A 103 -1.091 -8.916 8.234 1.00 0.00 O ATOM 1514 CB SER A 103 -1.930 -8.889 4.770 1.00 0.00 C ATOM 1515 OG SER A 103 -2.483 -7.615 5.079 1.00 0.00 O ATOM 0 H SER A 103 -3.811 -9.160 6.268 1.00 0.00 H new ATOM 0 HA SER A 103 -1.269 -10.644 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.970 -8.770 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.585 -9.427 4.085 1.00 0.00 H new ATOM 0 HG SER A 103 -2.967 -7.271 4.300 1.00 0.00 H new ATOM 1521 N LYS A 104 0.115 -8.226 6.533 1.00 0.00 N ATOM 1522 CA LYS A 104 1.015 -7.433 7.408 1.00 0.00 C ATOM 1523 C LYS A 104 0.620 -5.971 7.311 1.00 0.00 C ATOM 1524 O LYS A 104 0.840 -5.178 8.205 1.00 0.00 O ATOM 1525 CB LYS A 104 2.397 -7.627 6.804 1.00 0.00 C ATOM 1526 CG LYS A 104 2.832 -9.085 6.967 1.00 0.00 C ATOM 1527 CD LYS A 104 3.595 -9.247 8.284 1.00 0.00 C ATOM 1528 CE LYS A 104 4.810 -10.149 8.062 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.364 -10.390 9.424 1.00 0.00 N ATOM 0 H LYS A 104 0.338 -8.186 5.539 1.00 0.00 H new ATOM 0 HA LYS A 104 0.973 -7.734 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.384 -7.357 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.114 -6.967 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.960 -9.739 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.463 -9.383 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.915 -8.273 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.943 -9.678 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.525 -11.084 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.545 -9.669 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.068 -11.155 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.817 -9.521 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.595 -10.662 10.069 1.00 0.00 H new ATOM 1543 N CYS A 105 0.054 -5.624 6.199 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.358 -4.224 5.958 1.00 0.00 C ATOM 1545 C CYS A 105 -1.687 -3.921 6.660 1.00 0.00 C ATOM 1546 O CYS A 105 -1.982 -2.788 6.985 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.516 -4.163 4.443 1.00 0.00 C ATOM 1548 SG CYS A 105 0.286 -2.669 3.807 1.00 0.00 S ATOM 0 H CYS A 105 -0.145 -6.265 5.431 1.00 0.00 H new ATOM 0 HA CYS A 105 0.355 -3.494 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.074 -5.048 3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.573 -4.161 4.177 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.490 -4.923 6.897 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.797 -4.686 7.578 1.00 0.00 C ATOM 1555 C HIS A 106 -3.876 -5.503 8.870 1.00 0.00 C ATOM 1556 O HIS A 106 -4.356 -6.619 8.881 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.852 -5.160 6.579 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.245 -4.019 5.681 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.292 -2.713 6.144 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.558 -3.959 4.340 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.610 -1.925 5.104 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.775 -2.625 3.979 1.00 0.00 N ATOM 0 H HIS A 106 -2.299 -5.894 6.649 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.936 -3.641 7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.460 -5.985 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.727 -5.536 7.109 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.117 -2.406 7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.625 -4.807 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.719 -0.853 5.170 1.00 0.00 H new ATOM 1570 N SER A 107 -3.411 -4.956 9.960 1.00 0.00 N ATOM 1571 CA SER A 107 -3.462 -5.703 11.250 1.00 0.00 C ATOM 1572 C SER A 107 -4.916 -5.952 11.659 1.00 0.00 C ATOM 1573 O SER A 107 -5.666 -4.992 11.718 1.00 0.00 O ATOM 1574 CB SER A 107 -2.769 -4.794 12.263 1.00 0.00 C ATOM 1575 OG SER A 107 -1.364 -4.845 12.055 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.254 -7.099 11.905 1.00 0.00 O ATOM 0 H SER A 107 -2.998 -4.025 10.014 1.00 0.00 H new ATOM 0 HA SER A 107 -2.979 -6.678 11.182 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.127 -3.770 12.155 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.010 -5.111 13.278 1.00 0.00 H new ATOM 0 HG SER A 107 -0.916 -4.261 12.702 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.290 6.618 3.383 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.760 8.091 5.079 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.409 8.973 4.561 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.837 5.124 1.753 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.164 4.296 2.240 1.00 0.00 C HETATM 1588 NA HEC A 201 9.115 8.183 4.510 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.992 8.630 5.173 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.271 9.701 6.067 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.568 9.957 5.953 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.096 9.045 4.950 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.282 10.891 6.904 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.300 10.373 7.023 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.685 11.610 6.372 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.457 12.856 6.810 1.00 0.00 C HETATM 1597 O1A HEC A 201 8.244 13.348 6.019 1.00 0.00 O HETATM 1598 O2A HEC A 201 7.247 13.296 7.928 1.00 0.00 O HETATM 1599 NB HEC A 201 11.185 6.968 3.197 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.924 7.991 3.753 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.321 7.886 3.396 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.438 6.805 2.605 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.117 6.246 2.484 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.447 8.799 3.849 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.712 6.268 1.971 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.725 5.770 3.003 1.00 0.00 C HETATM 1607 NC HEC A 201 9.472 5.042 2.274 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.603 4.552 1.663 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.322 3.398 0.853 1.00 0.00 C HETATM 1610 C3C HEC A 201 9.000 3.194 0.960 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.479 4.197 1.855 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.313 2.585 0.037 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.181 2.169 0.209 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.785 0.763 0.239 1.00 0.00 C HETATM 1615 ND HEC A 201 7.395 6.281 3.601 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.656 5.245 3.094 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.292 5.297 3.583 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.181 6.423 4.306 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.480 7.000 4.333 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.228 4.233 3.460 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.954 7.015 4.977 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.274 5.982 5.874 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.288 6.685 6.808 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.191 6.272 7.953 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.647 7.623 6.365 1.00 0.00 O HETATM 0 HMD3 HEC A 201 4.039 4.027 2.406 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.566 3.321 3.952 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.309 4.581 3.932 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.786 3.227 -0.706 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 12.075 2.172 0.697 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.790 1.772 -0.466 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.241 9.819 3.525 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.523 8.772 4.936 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.387 8.462 3.411 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.831 11.882 6.848 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.196 10.510 7.922 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.335 10.956 6.629 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.751 5.244 5.265 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.021 5.443 6.456 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.776 0.783 -0.214 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.865 0.423 1.272 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 8.145 0.080 -0.319 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 16.004 6.590 3.665 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.281 4.965 3.589 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.613 5.399 2.491 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.714 11.515 5.287 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.637 11.700 6.657 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.241 7.884 5.569 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.252 7.363 4.219 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.513 9.673 7.305 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.818 10.656 7.939 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.467 3.562 1.835 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.655 4.656 1.206 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.089 9.747 4.917 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.947 8.560 5.634 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.989 8.499 -5.444 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.796 7.976 -8.546 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.895 5.196 -4.925 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.213 8.955 -2.339 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.816 11.807 -5.932 1.00 0.00 C HETATM 1663 NA HEC A 202 2.462 6.970 -6.472 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.880 6.935 -7.703 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.301 5.666 -7.974 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.624 4.868 -6.971 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.378 5.669 -6.066 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.169 3.436 -6.813 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.429 5.265 -9.126 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.576 6.344 -9.523 1.00 0.00 C HETATM 1671 CGA HEC A 202 -0.520 6.563 -11.037 1.00 0.00 C HETATM 1672 O1A HEC A 202 0.145 7.496 -11.456 1.00 0.00 O HETATM 1673 O2A HEC A 202 -1.143 5.794 -11.751 1.00 0.00 O HETATM 1674 NB HEC A 202 3.536 7.343 -4.023 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.469 5.969 -3.985 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.902 5.425 -2.746 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.213 6.459 -1.972 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.009 7.665 -2.768 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.987 3.952 -2.380 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.620 6.268 -0.530 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.134 6.179 -0.349 1.00 0.00 C HETATM 1682 NC HEC A 202 3.473 10.037 -4.390 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.982 10.077 -3.110 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.133 11.444 -2.658 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.647 12.216 -3.664 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.305 11.345 -4.736 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.722 11.913 -1.338 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.310 13.693 -3.697 1.00 0.00 C HETATM 1689 CBC HEC A 202 3.835 14.500 -2.512 1.00 0.00 C HETATM 1690 ND HEC A 202 2.431 9.639 -6.917 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.414 11.010 -6.980 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.110 11.458 -8.327 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.959 10.346 -9.076 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.089 9.250 -8.186 1.00 0.00 C HETATM 1695 CMD HEC A 202 1.996 12.882 -8.829 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.867 10.168 -10.581 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.140 10.663 -11.270 1.00 0.00 C HETATM 1698 CGD HEC A 202 2.767 11.525 -12.477 1.00 0.00 C HETATM 1699 O1D HEC A 202 2.986 12.723 -12.416 1.00 0.00 O HETATM 1700 O2D HEC A 202 2.268 10.971 -13.444 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.207 13.398 -8.283 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.943 13.399 -8.674 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.756 12.875 -9.892 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.139 11.503 -0.513 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.754 11.571 -1.258 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.696 13.002 -1.295 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.998 3.501 -2.455 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.669 3.446 -3.063 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.355 3.851 -1.359 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.081 3.403 -6.764 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.511 2.849 -7.665 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.586 3.021 -5.896 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.743 11.241 -10.570 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 3.746 9.815 -11.589 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.415 14.104 -1.587 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 4.922 14.428 -2.476 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 3.544 15.544 -2.625 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.519 5.333 -0.918 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.598 7.098 -0.706 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.367 6.042 0.707 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.581 6.047 -9.225 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.351 7.275 -9.002 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.707 9.116 -10.817 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.006 10.715 -10.964 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.058 5.029 -9.985 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.110 4.354 -8.866 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.740 12.887 -6.062 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.581 9.102 -1.324 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.848 4.122 -4.747 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.476 7.788 -9.571 1.00 0.00 H new HETATM 0 HAC HEC A 202 2.736 14.145 -4.506 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.930 -3.443 2.039 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.803 -6.043 4.004 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.718 -2.408 4.348 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.174 -0.755 0.146 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.272 -4.368 -0.220 1.00 0.00 C HETATM 1738 NA HEC A 203 5.383 -4.082 3.792 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.831 -5.191 4.471 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.121 -5.357 5.714 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.245 -4.348 5.805 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.414 -3.556 4.616 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.263 -4.128 6.942 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.270 -6.462 6.738 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.736 -6.875 6.901 1.00 0.00 C HETATM 1746 CGA HEC A 203 7.035 -7.121 8.380 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.109 -7.444 9.106 1.00 0.00 O HETATM 1748 O2A HEC A 203 8.185 -6.983 8.762 1.00 0.00 O HETATM 1749 NB HEC A 203 4.769 -1.892 2.243 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.906 -1.612 3.266 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.181 -0.388 3.051 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.589 0.067 1.860 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.580 -0.853 1.373 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.133 0.228 3.963 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.971 1.166 1.040 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.701 2.514 1.113 1.00 0.00 C HETATM 1757 NC HEC A 203 6.545 -2.748 0.330 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.094 -1.639 -0.347 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.741 -1.498 -1.626 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.608 -2.521 -1.721 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.502 -3.273 -0.504 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.490 -0.411 -2.659 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.501 -2.845 -2.898 1.00 0.00 C HETATM 1764 CBC HEC A 203 9.088 -1.567 -3.496 1.00 0.00 C HETATM 1765 ND HEC A 203 7.215 -4.913 1.896 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.145 -5.139 0.907 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.982 -6.274 1.222 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.540 -6.762 2.390 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.452 -5.915 2.806 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.177 -6.790 0.440 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.099 -7.965 3.131 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.694 -9.270 2.441 1.00 0.00 C HETATM 1773 CGD HEC A 203 9.525 -10.425 3.002 1.00 0.00 C HETATM 1774 O1D HEC A 203 9.260 -10.831 4.120 1.00 0.00 O HETATM 1775 O2D HEC A 203 10.413 -10.883 2.302 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.862 -7.067 -0.566 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.937 -6.011 0.381 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.592 -7.663 0.943 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.446 -0.441 -2.972 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.710 0.563 -2.223 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.133 -0.575 -3.523 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.302 -0.467 4.084 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.576 0.437 4.937 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.768 1.156 3.523 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.596 -4.987 7.018 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.810 -4.010 7.877 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.677 -3.229 6.748 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.633 -9.462 2.598 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 8.847 -9.187 1.365 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.280 -0.919 -3.834 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.676 -1.048 -2.739 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.727 -1.821 -4.341 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.716 2.864 2.145 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.724 2.394 0.756 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.182 3.243 0.490 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.937 -7.777 6.323 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.390 -6.095 6.512 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.186 -7.896 3.177 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.736 -7.965 4.159 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.875 -6.127 7.697 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.678 -7.325 6.433 1.00 0.00 H new HETATM 0 HHD HEC A 203 9.041 -4.647 -0.941 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.894 0.088 -0.485 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.950 -2.109 5.062 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.078 -6.886 4.637 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.729 -1.731 2.034 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.455 1.305 3.327 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.942 -2.156 1.203 1.00 0.00 C HETATM 1811 CHC HEC A 204 -4.976 -4.830 0.943 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.445 -1.103 2.456 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.351 -0.734 2.359 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.491 0.511 2.933 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.831 1.011 2.818 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.529 0.067 2.163 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.617 -1.024 1.908 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.955 0.210 1.662 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.323 2.394 3.212 1.00 0.00 C HETATM 1820 CBA HEC A 204 -9.846 3.120 1.972 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.305 4.528 2.357 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.920 4.664 3.402 1.00 0.00 O HETATM 1823 O2A HEC A 204 -10.036 5.446 1.600 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.732 -3.167 1.250 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.058 -3.157 0.877 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.396 -4.330 0.105 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.273 -5.075 0.073 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.260 -4.366 0.787 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.737 -4.659 -0.531 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.096 -6.502 -0.375 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.654 -6.567 -1.832 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.092 -2.725 1.726 1.00 0.00 N HETATM 1833 C1C HEC A 204 -3.955 -4.053 1.393 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.596 -4.510 1.531 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.893 -3.421 1.877 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.807 -2.328 1.974 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.091 -5.941 1.441 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.449 -3.340 2.300 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.533 -3.366 1.128 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.690 -0.233 2.696 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.323 -0.115 2.786 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.929 1.158 3.339 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.068 1.823 3.582 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.145 0.962 3.199 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.517 1.643 3.618 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.205 3.221 4.149 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.834 3.237 5.630 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.638 4.325 6.344 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.263 5.480 6.233 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.615 3.984 6.991 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.036 0.972 4.329 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -0.947 1.657 2.689 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.554 2.649 4.036 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.572 -6.545 2.210 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.328 -6.349 0.458 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.011 -5.956 1.590 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.503 -4.716 0.243 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.001 -3.880 -1.246 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.670 -5.617 -1.046 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.618 0.409 2.504 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.010 1.036 0.953 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.262 -0.713 1.169 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.039 2.265 6.078 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.766 3.423 5.747 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.409 -4.294 0.570 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.338 -2.518 0.471 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.553 -3.304 1.507 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.407 -6.094 -2.462 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.704 -6.045 -1.948 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.534 -7.609 -2.130 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.064 3.176 1.214 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.675 2.563 1.535 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.561 3.907 3.599 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.229 3.573 4.021 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.113 2.312 3.959 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.513 2.964 3.666 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.382 -0.902 2.586 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.766 -5.870 0.694 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.976 -2.269 0.878 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.691 2.272 3.771 1.00 0.00 H new