USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 908 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAC : A 202 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 74 THR OG1 : rot 76:sc= 0.276! USER MOD Set 1.2: A 78 SER OG : rot -167:sc= -1.32! USER MOD Set 2.1: A 44 GLN : amide:sc= -3.11! C(o=-3.8!,f=-6.5!) USER MOD Set 2.2: A 48 THR OG1 : rot 159:sc= -0.676 USER MOD Single : A 1 ALA N :NH3+ -152:sc= 0 (180deg=-0.281) 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 -179:sc= -12.1! (180deg=-12.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 45:sc= -4.09! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -6.16! C(o=-6.2!,f=-15!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= -0.058 (180deg=-0.966) USER MOD Single : A 38 ASN : amide:sc= -0.093 K(o=-0.093,f=-2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 24:sc= 1.16 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.23 F(o=-2.6!,f=-1.2) USER MOD Single : A 55 MET CE :methyl 144:sc= -9.28! (180deg=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -129:sc= -0.0404 (180deg=-0.568) 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 -69:sc= -2.78! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -13.6! C(o=-14!,f=-26!) USER MOD Single : A 69 MET CE :methyl 173:sc= -3.27 (180deg=-3.44!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0538) USER MOD Single : A 77 LYS NZ :NH3+ -109:sc= -2.31! (180deg=-4.57!) USER MOD Single : A 86 THR OG1 : rot 93:sc= 0.0588 USER MOD Single : A 93 LYS NZ :NH3+ -128:sc= -0.101 (180deg=-0.182) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 14:sc= 0.25 USER MOD Single : A 101 LYS NZ :NH3+ 144:sc= -0.392 (180deg=-2.54!) USER MOD Single : A 103 SER OG : rot -156:sc= 0.599 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.565 14.409 1.676 1.00 0.00 N ATOM 2 CA ALA A 1 19.823 13.348 2.692 1.00 0.00 C ATOM 3 C ALA A 1 18.613 13.197 3.618 1.00 0.00 C ATOM 4 O ALA A 1 18.600 13.718 4.715 1.00 0.00 O ATOM 5 CB ALA A 1 21.040 13.838 3.476 1.00 0.00 C ATOM 0 H1 ALA A 1 20.111 14.205 0.815 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.551 14.430 1.446 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.853 15.333 2.058 1.00 0.00 H new ATOM 0 HA ALA A 1 19.997 12.373 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.294 13.110 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.885 13.959 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.810 14.795 3.944 1.00 0.00 H new ATOM 13 N PRO A 2 17.631 12.481 3.139 1.00 0.00 N ATOM 14 CA PRO A 2 16.398 12.252 3.929 1.00 0.00 C ATOM 15 C PRO A 2 16.663 11.269 5.069 1.00 0.00 C ATOM 16 O PRO A 2 17.313 10.259 4.892 1.00 0.00 O ATOM 17 CB PRO A 2 15.431 11.643 2.920 1.00 0.00 C ATOM 18 CG PRO A 2 16.302 11.025 1.871 1.00 0.00 C ATOM 19 CD PRO A 2 17.580 11.825 1.828 1.00 0.00 C ATOM 0 HA PRO A 2 16.017 13.163 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.789 10.897 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.777 12.403 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.509 9.981 2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.806 11.039 0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.447 11.184 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.568 12.553 1.017 1.00 0.00 H new ATOM 27 N LYS A 3 16.153 11.551 6.235 1.00 0.00 N ATOM 28 CA LYS A 3 16.368 10.620 7.374 1.00 0.00 C ATOM 29 C LYS A 3 15.128 9.761 7.583 1.00 0.00 C ATOM 30 O LYS A 3 14.249 10.088 8.355 1.00 0.00 O ATOM 31 CB LYS A 3 16.598 11.500 8.588 1.00 0.00 C ATOM 32 CG LYS A 3 17.774 12.443 8.329 1.00 0.00 C ATOM 33 CD LYS A 3 18.635 12.543 9.590 1.00 0.00 C ATOM 34 CE LYS A 3 18.325 13.852 10.320 1.00 0.00 C ATOM 35 NZ LYS A 3 18.557 13.554 11.760 1.00 0.00 N ATOM 0 H LYS A 3 15.600 12.381 6.447 1.00 0.00 H new ATOM 0 HA LYS A 3 17.209 9.951 7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.699 12.076 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.801 10.883 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.372 12.075 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.407 13.430 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.439 11.694 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.692 12.504 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.971 14.659 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.297 14.169 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.365 14.405 12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.923 12.787 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.545 13.262 11.899 1.00 0.00 H new ATOM 49 N ALA A 4 15.058 8.668 6.895 1.00 0.00 N ATOM 50 CA ALA A 4 13.879 7.765 7.035 1.00 0.00 C ATOM 51 C ALA A 4 13.453 7.687 8.502 1.00 0.00 C ATOM 52 O ALA A 4 14.281 7.604 9.387 1.00 0.00 O ATOM 53 CB ALA A 4 14.361 6.401 6.541 1.00 0.00 C ATOM 0 H ALA A 4 15.768 8.352 6.235 1.00 0.00 H new ATOM 0 HA ALA A 4 13.016 8.117 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.547 5.680 6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.683 6.483 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.198 6.067 7.155 1.00 0.00 H new ATOM 59 N PRO A 5 12.166 7.723 8.708 1.00 0.00 N ATOM 60 CA PRO A 5 11.615 7.662 10.077 1.00 0.00 C ATOM 61 C PRO A 5 11.664 6.236 10.624 1.00 0.00 C ATOM 62 O PRO A 5 11.787 5.277 9.888 1.00 0.00 O ATOM 63 CB PRO A 5 10.183 8.157 9.915 1.00 0.00 C ATOM 64 CG PRO A 5 9.828 7.913 8.477 1.00 0.00 C ATOM 65 CD PRO A 5 11.117 7.819 7.692 1.00 0.00 C ATOM 0 HA PRO A 5 12.180 8.261 10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.506 7.622 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.104 9.215 10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.252 6.993 8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.206 8.722 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.119 6.947 7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.259 8.694 7.058 1.00 0.00 H new ATOM 73 N ALA A 6 11.582 6.098 11.915 1.00 0.00 N ATOM 74 CA ALA A 6 11.636 4.749 12.532 1.00 0.00 C ATOM 75 C ALA A 6 10.499 3.875 12.013 1.00 0.00 C ATOM 76 O ALA A 6 9.417 4.343 11.720 1.00 0.00 O ATOM 77 CB ALA A 6 11.480 4.991 14.033 1.00 0.00 C ATOM 0 H ALA A 6 11.479 6.870 12.574 1.00 0.00 H new ATOM 0 HA ALA A 6 12.565 4.230 12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.510 4.038 14.560 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.293 5.626 14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.526 5.482 14.225 1.00 0.00 H new ATOM 83 N ASP A 7 10.743 2.605 11.911 1.00 0.00 N ATOM 84 CA ASP A 7 9.694 1.673 11.426 1.00 0.00 C ATOM 85 C ASP A 7 8.444 1.820 12.292 1.00 0.00 C ATOM 86 O ASP A 7 8.421 2.565 13.251 1.00 0.00 O ATOM 87 CB ASP A 7 10.301 0.280 11.590 1.00 0.00 C ATOM 88 CG ASP A 7 11.724 0.273 11.027 1.00 0.00 C ATOM 89 OD1 ASP A 7 11.941 0.909 10.010 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.572 -0.370 11.625 1.00 0.00 O ATOM 0 H ASP A 7 11.634 2.166 12.145 1.00 0.00 H new ATOM 0 HA ASP A 7 9.400 1.866 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.314 -0.001 12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.690 -0.458 11.071 1.00 0.00 H new ATOM 95 N GLY A 8 7.411 1.108 11.965 1.00 0.00 N ATOM 96 CA GLY A 8 6.162 1.192 12.769 1.00 0.00 C ATOM 97 C GLY A 8 5.357 2.426 12.363 1.00 0.00 C ATOM 98 O GLY A 8 4.437 2.827 13.048 1.00 0.00 O ATOM 0 H GLY A 8 7.374 0.467 11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.564 0.293 12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.406 1.241 13.830 1.00 0.00 H new ATOM 102 N LEU A 9 5.682 3.029 11.253 1.00 0.00 N ATOM 103 CA LEU A 9 4.910 4.228 10.820 1.00 0.00 C ATOM 104 C LEU A 9 3.457 3.833 10.611 1.00 0.00 C ATOM 105 O LEU A 9 3.148 2.967 9.821 1.00 0.00 O ATOM 106 CB LEU A 9 5.533 4.677 9.503 1.00 0.00 C ATOM 107 CG LEU A 9 5.749 6.189 9.548 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.018 6.541 8.775 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.555 6.905 8.912 1.00 0.00 C ATOM 0 H LEU A 9 6.441 2.747 10.632 1.00 0.00 H new ATOM 0 HA LEU A 9 4.940 5.029 11.559 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.482 4.165 9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.882 4.414 8.669 1.00 0.00 H new ATOM 0 HG LEU A 9 5.848 6.507 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.175 7.619 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.872 6.037 9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.914 6.218 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.716 7.982 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.451 6.588 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.647 6.655 9.461 1.00 0.00 H new ATOM 121 N LYS A 10 2.561 4.447 11.318 1.00 0.00 N ATOM 122 CA LYS A 10 1.131 4.075 11.156 1.00 0.00 C ATOM 123 C LYS A 10 0.414 5.036 10.211 1.00 0.00 C ATOM 124 O LYS A 10 0.193 6.189 10.524 1.00 0.00 O ATOM 125 CB LYS A 10 0.527 4.160 12.552 1.00 0.00 C ATOM 126 CG LYS A 10 0.391 2.752 13.133 1.00 0.00 C ATOM 127 CD LYS A 10 -0.772 2.719 14.127 1.00 0.00 C ATOM 128 CE LYS A 10 -0.266 3.106 15.518 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.194 1.822 16.271 1.00 0.00 N ATOM 0 H LYS A 10 2.750 5.185 11.996 1.00 0.00 H new ATOM 0 HA LYS A 10 1.029 3.080 10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.158 4.772 13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.449 4.644 12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.220 2.032 12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.316 2.462 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.556 3.407 13.809 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.214 1.723 14.153 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.711 3.587 15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.942 3.811 16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.146 2.005 17.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.139 1.390 16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.462 1.174 15.790 1.00 0.00 H new ATOM 143 N MET A 11 0.025 4.552 9.070 1.00 0.00 N ATOM 144 CA MET A 11 -0.713 5.413 8.106 1.00 0.00 C ATOM 145 C MET A 11 -2.200 5.335 8.434 1.00 0.00 C ATOM 146 O MET A 11 -2.850 4.349 8.164 1.00 0.00 O ATOM 147 CB MET A 11 -0.429 4.831 6.717 1.00 0.00 C ATOM 148 CG MET A 11 -0.432 3.304 6.770 1.00 0.00 C ATOM 149 SD MET A 11 1.273 2.698 6.776 1.00 0.00 S ATOM 150 CE MET A 11 1.573 2.869 5.000 1.00 0.00 C ATOM 0 H MET A 11 0.186 3.594 8.760 1.00 0.00 H new ATOM 0 HA MET A 11 -0.408 6.459 8.151 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.182 5.178 6.009 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.536 5.187 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.954 2.961 7.663 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.970 2.901 5.912 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.582 2.528 4.767 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.850 2.267 4.449 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.468 3.915 4.712 1.00 0.00 H new ATOM 160 N ASP A 12 -2.737 6.356 9.040 1.00 0.00 N ATOM 161 CA ASP A 12 -4.184 6.321 9.410 1.00 0.00 C ATOM 162 C ASP A 12 -4.991 7.276 8.538 1.00 0.00 C ATOM 163 O ASP A 12 -6.101 7.647 8.866 1.00 0.00 O ATOM 164 CB ASP A 12 -4.230 6.763 10.868 1.00 0.00 C ATOM 165 CG ASP A 12 -3.262 7.927 11.092 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.514 8.993 10.555 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.285 7.731 11.795 1.00 0.00 O ATOM 0 H ASP A 12 -2.242 7.210 9.295 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.615 5.330 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.243 7.065 11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.966 5.929 11.518 1.00 0.00 H new ATOM 172 N LYS A 13 -4.449 7.667 7.427 1.00 0.00 N ATOM 173 CA LYS A 13 -5.186 8.591 6.528 1.00 0.00 C ATOM 174 C LYS A 13 -6.605 8.067 6.286 1.00 0.00 C ATOM 175 O LYS A 13 -7.527 8.823 6.052 1.00 0.00 O ATOM 176 CB LYS A 13 -4.384 8.576 5.234 1.00 0.00 C ATOM 177 CG LYS A 13 -3.161 9.483 5.387 1.00 0.00 C ATOM 178 CD LYS A 13 -3.620 10.924 5.624 1.00 0.00 C ATOM 179 CE LYS A 13 -2.435 11.874 5.433 1.00 0.00 C ATOM 180 NZ LYS A 13 -1.934 12.144 6.810 1.00 0.00 N ATOM 0 H LYS A 13 -3.524 7.387 7.099 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.286 9.594 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.070 7.559 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.003 8.918 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.546 9.144 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.542 9.430 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.421 11.181 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.024 11.027 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.661 11.421 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.743 12.795 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.120 12.789 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.690 12.581 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.642 11.250 7.255 1.00 0.00 H new ATOM 194 N THR A 14 -6.780 6.777 6.342 1.00 0.00 N ATOM 195 CA THR A 14 -8.139 6.194 6.117 1.00 0.00 C ATOM 196 C THR A 14 -8.640 5.486 7.379 1.00 0.00 C ATOM 197 O THR A 14 -7.970 5.447 8.391 1.00 0.00 O ATOM 198 CB THR A 14 -7.964 5.189 4.979 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.826 4.378 5.234 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.775 5.938 3.662 1.00 0.00 C ATOM 0 H THR A 14 -6.043 6.098 6.534 1.00 0.00 H new ATOM 0 HA THR A 14 -8.872 6.963 5.875 1.00 0.00 H new ATOM 0 HB THR A 14 -8.850 4.558 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.830 4.095 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.650 5.221 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.650 6.558 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.890 6.570 3.727 1.00 0.00 H new ATOM 208 N LYS A 15 -9.817 4.920 7.321 1.00 0.00 N ATOM 209 CA LYS A 15 -10.367 4.208 8.509 1.00 0.00 C ATOM 210 C LYS A 15 -9.520 2.971 8.810 1.00 0.00 C ATOM 211 O LYS A 15 -9.484 2.483 9.922 1.00 0.00 O ATOM 212 CB LYS A 15 -11.785 3.801 8.106 1.00 0.00 C ATOM 213 CG LYS A 15 -12.785 4.824 8.647 1.00 0.00 C ATOM 214 CD LYS A 15 -13.541 5.464 7.480 1.00 0.00 C ATOM 215 CE LYS A 15 -14.666 6.349 8.023 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.203 7.061 6.830 1.00 0.00 N ATOM 0 H LYS A 15 -10.421 4.921 6.499 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.363 4.828 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.862 3.741 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.015 2.810 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.486 4.339 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.263 5.590 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.858 6.058 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.953 4.690 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.439 5.753 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.292 7.052 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.980 7.689 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.447 7.625 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.558 6.367 6.142 1.00 0.00 H new ATOM 230 N GLN A 16 -8.834 2.466 7.823 1.00 0.00 N ATOM 231 CA GLN A 16 -7.979 1.267 8.042 1.00 0.00 C ATOM 232 C GLN A 16 -6.510 1.690 8.111 1.00 0.00 C ATOM 233 O GLN A 16 -5.798 1.621 7.130 1.00 0.00 O ATOM 234 CB GLN A 16 -8.227 0.372 6.826 1.00 0.00 C ATOM 235 CG GLN A 16 -9.260 -0.699 7.182 1.00 0.00 C ATOM 236 CD GLN A 16 -9.075 -1.912 6.268 1.00 0.00 C ATOM 237 OE1 GLN A 16 -8.602 -2.944 6.699 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.431 -1.830 5.015 1.00 0.00 N ATOM 0 H GLN A 16 -8.829 2.833 6.871 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.211 0.751 8.974 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.582 0.971 5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.295 -0.097 6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.147 -0.996 8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.268 -0.298 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.828 -0.963 4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.312 -2.633 4.397 1.00 0.00 H new ATOM 247 N PRO A 17 -6.110 2.126 9.274 1.00 0.00 N ATOM 248 CA PRO A 17 -4.714 2.581 9.482 1.00 0.00 C ATOM 249 C PRO A 17 -3.736 1.410 9.372 1.00 0.00 C ATOM 250 O PRO A 17 -3.992 0.321 9.847 1.00 0.00 O ATOM 251 CB PRO A 17 -4.732 3.158 10.897 1.00 0.00 C ATOM 252 CG PRO A 17 -5.880 2.477 11.568 1.00 0.00 C ATOM 253 CD PRO A 17 -6.910 2.232 10.498 1.00 0.00 C ATOM 0 HA PRO A 17 -4.386 3.306 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.795 2.960 11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.867 4.240 10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.563 1.539 12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.288 3.098 12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.477 1.321 10.687 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.629 3.049 10.438 1.00 0.00 H new ATOM 261 N VAL A 18 -2.619 1.630 8.735 1.00 0.00 N ATOM 262 CA VAL A 18 -1.618 0.544 8.571 1.00 0.00 C ATOM 263 C VAL A 18 -0.258 0.975 9.134 1.00 0.00 C ATOM 264 O VAL A 18 0.039 2.146 9.238 1.00 0.00 O ATOM 265 CB VAL A 18 -1.530 0.344 7.060 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.274 -0.456 6.729 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.765 -0.417 6.575 1.00 0.00 C ATOM 0 H VAL A 18 -2.357 2.523 8.319 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.898 -0.367 9.101 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.485 1.314 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.208 -0.601 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.605 0.087 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.320 -1.427 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.704 -0.561 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.811 -1.388 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.662 0.154 6.814 1.00 0.00 H new ATOM 277 N VAL A 19 0.570 0.033 9.492 1.00 0.00 N ATOM 278 CA VAL A 19 1.912 0.382 10.042 1.00 0.00 C ATOM 279 C VAL A 19 3.002 0.089 9.003 1.00 0.00 C ATOM 280 O VAL A 19 3.225 -1.048 8.635 1.00 0.00 O ATOM 281 CB VAL A 19 2.090 -0.529 11.257 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.554 -0.508 11.702 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.203 -0.035 12.401 1.00 0.00 C ATOM 0 H VAL A 19 0.375 -0.966 9.428 1.00 0.00 H new ATOM 0 HA VAL A 19 1.987 1.438 10.302 1.00 0.00 H new ATOM 0 HB VAL A 19 1.806 -1.547 10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.680 -1.158 12.568 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.187 -0.861 10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.839 0.510 11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.330 -0.685 13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.486 0.983 12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.160 -0.051 12.086 1.00 0.00 H new ATOM 293 N PHE A 20 3.690 1.095 8.530 1.00 0.00 N ATOM 294 CA PHE A 20 4.764 0.841 7.527 1.00 0.00 C ATOM 295 C PHE A 20 6.122 0.757 8.223 1.00 0.00 C ATOM 296 O PHE A 20 6.555 1.686 8.874 1.00 0.00 O ATOM 297 CB PHE A 20 4.743 2.029 6.562 1.00 0.00 C ATOM 298 CG PHE A 20 5.811 1.815 5.516 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.746 0.699 4.676 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.870 2.721 5.392 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.739 0.488 3.714 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.861 2.510 4.428 1.00 0.00 C ATOM 303 CZ PHE A 20 7.796 1.395 3.590 1.00 0.00 C ATOM 0 H PHE A 20 3.556 2.072 8.792 1.00 0.00 H new ATOM 0 HA PHE A 20 4.601 -0.100 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.764 2.117 6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.922 2.959 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.928 -0.000 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.922 3.583 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.689 -0.375 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.678 3.210 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.562 1.233 2.846 1.00 0.00 H new ATOM 313 N ASN A 21 6.794 -0.350 8.092 1.00 0.00 N ATOM 314 CA ASN A 21 8.116 -0.499 8.740 1.00 0.00 C ATOM 315 C ASN A 21 9.230 -0.209 7.730 1.00 0.00 C ATOM 316 O ASN A 21 9.644 -1.080 6.989 1.00 0.00 O ATOM 317 CB ASN A 21 8.151 -1.961 9.164 1.00 0.00 C ATOM 318 CG ASN A 21 8.150 -2.067 10.690 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.771 -1.140 11.375 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.556 -3.169 11.256 1.00 0.00 N ATOM 0 H ASN A 21 6.479 -1.161 7.560 1.00 0.00 H new ATOM 0 HA ASN A 21 8.262 0.185 9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.288 -2.487 8.755 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.040 -2.444 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.555 -3.251 12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.875 -3.950 10.682 1.00 0.00 H new ATOM 327 N HIS A 22 9.722 0.999 7.691 1.00 0.00 N ATOM 328 CA HIS A 22 10.809 1.317 6.722 1.00 0.00 C ATOM 329 C HIS A 22 11.905 0.254 6.826 1.00 0.00 C ATOM 330 O HIS A 22 12.640 0.009 5.890 1.00 0.00 O ATOM 331 CB HIS A 22 11.349 2.681 7.152 1.00 0.00 C ATOM 332 CG HIS A 22 10.546 3.787 6.515 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.723 4.617 7.259 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.467 4.246 5.219 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.198 5.528 6.422 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.620 5.350 5.168 1.00 0.00 N ATOM 0 H HIS A 22 9.422 1.774 8.283 1.00 0.00 H new ATOM 0 HA HIS A 22 10.458 1.333 5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.307 2.771 8.237 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.397 2.772 6.865 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.547 4.549 8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.982 3.816 4.373 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.517 6.309 6.727 1.00 0.00 H new ATOM 344 N SER A 23 12.012 -0.384 7.961 1.00 0.00 N ATOM 345 CA SER A 23 13.051 -1.439 8.131 1.00 0.00 C ATOM 346 C SER A 23 12.864 -2.526 7.071 1.00 0.00 C ATOM 347 O SER A 23 13.815 -3.045 6.523 1.00 0.00 O ATOM 348 CB SER A 23 12.811 -2.008 9.530 1.00 0.00 C ATOM 349 OG SER A 23 12.962 -3.421 9.495 1.00 0.00 O ATOM 0 H SER A 23 11.424 -0.219 8.778 1.00 0.00 H new ATOM 0 HA SER A 23 14.063 -1.050 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.516 -1.573 10.238 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.811 -1.746 9.875 1.00 0.00 H new ATOM 0 HG SER A 23 12.810 -3.788 10.391 1.00 0.00 H new ATOM 355 N THR A 24 11.638 -2.867 6.777 1.00 0.00 N ATOM 356 CA THR A 24 11.379 -3.913 5.749 1.00 0.00 C ATOM 357 C THR A 24 11.460 -3.306 4.349 1.00 0.00 C ATOM 358 O THR A 24 11.283 -3.983 3.355 1.00 0.00 O ATOM 359 CB THR A 24 9.961 -4.410 6.037 1.00 0.00 C ATOM 360 OG1 THR A 24 9.622 -4.111 7.384 1.00 0.00 O ATOM 361 CG2 THR A 24 9.892 -5.920 5.813 1.00 0.00 C ATOM 0 H THR A 24 10.804 -2.465 7.206 1.00 0.00 H new ATOM 0 HA THR A 24 12.109 -4.721 5.788 1.00 0.00 H new ATOM 0 HB THR A 24 9.258 -3.915 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.713 -4.427 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.881 -6.273 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.152 -6.147 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.593 -6.419 6.481 1.00 0.00 H new ATOM 369 N HIS A 25 11.709 -2.029 4.261 1.00 0.00 N ATOM 370 CA HIS A 25 11.782 -1.377 2.933 1.00 0.00 C ATOM 371 C HIS A 25 13.136 -0.694 2.737 1.00 0.00 C ATOM 372 O HIS A 25 13.467 -0.257 1.653 1.00 0.00 O ATOM 373 CB HIS A 25 10.647 -0.367 2.972 1.00 0.00 C ATOM 374 CG HIS A 25 9.367 -1.115 3.194 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.893 -1.402 4.465 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.474 -1.683 2.323 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.764 -2.116 4.323 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.466 -2.317 3.039 1.00 0.00 N ATOM 0 H HIS A 25 11.865 -1.411 5.057 1.00 0.00 H new ATOM 0 HA HIS A 25 11.689 -2.078 2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.809 0.357 3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.604 0.193 2.038 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.323 -1.122 5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.543 -1.644 1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.171 -2.482 5.148 1.00 0.00 H new ATOM 386 N LYS A 26 13.931 -0.610 3.766 1.00 0.00 N ATOM 387 CA LYS A 26 15.265 0.032 3.610 1.00 0.00 C ATOM 388 C LYS A 26 15.987 -0.596 2.416 1.00 0.00 C ATOM 389 O LYS A 26 16.809 0.026 1.773 1.00 0.00 O ATOM 390 CB LYS A 26 16.010 -0.264 4.910 1.00 0.00 C ATOM 391 CG LYS A 26 15.254 0.365 6.081 1.00 0.00 C ATOM 392 CD LYS A 26 16.252 0.876 7.120 1.00 0.00 C ATOM 393 CE LYS A 26 16.008 2.365 7.372 1.00 0.00 C ATOM 394 NZ LYS A 26 16.118 2.527 8.849 1.00 0.00 N ATOM 0 H LYS A 26 13.717 -0.955 4.702 1.00 0.00 H new ATOM 0 HA LYS A 26 15.199 1.105 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.098 -1.341 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.023 0.134 4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.631 1.186 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.587 -0.369 6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.144 0.317 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.272 0.718 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.743 2.979 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.025 2.671 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.963 3.524 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.402 1.936 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.066 2.235 9.161 1.00 0.00 H new ATOM 408 N ALA A 27 15.669 -1.825 2.111 1.00 0.00 N ATOM 409 CA ALA A 27 16.318 -2.502 0.953 1.00 0.00 C ATOM 410 C ALA A 27 15.546 -2.179 -0.329 1.00 0.00 C ATOM 411 O ALA A 27 15.972 -2.500 -1.421 1.00 0.00 O ATOM 412 CB ALA A 27 16.236 -3.996 1.269 1.00 0.00 C ATOM 0 H ALA A 27 14.986 -2.390 2.615 1.00 0.00 H new ATOM 0 HA ALA A 27 17.348 -2.179 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.695 -4.565 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.763 -4.200 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.191 -4.289 1.372 1.00 0.00 H new ATOM 418 N VAL A 28 14.417 -1.535 -0.201 1.00 0.00 N ATOM 419 CA VAL A 28 13.621 -1.176 -1.407 1.00 0.00 C ATOM 420 C VAL A 28 14.187 0.096 -2.020 1.00 0.00 C ATOM 421 O VAL A 28 15.115 0.684 -1.499 1.00 0.00 O ATOM 422 CB VAL A 28 12.200 -0.945 -0.890 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.359 -0.251 -1.963 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.561 -2.289 -0.538 1.00 0.00 C ATOM 0 H VAL A 28 14.012 -1.242 0.688 1.00 0.00 H new ATOM 0 HA VAL A 28 13.644 -1.947 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 28 12.242 -0.313 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.349 -0.091 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.810 0.709 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.319 -0.877 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.548 -2.125 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.526 -2.919 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.152 -2.782 0.233 1.00 0.00 H new ATOM 434 N LYS A 29 13.647 0.535 -3.114 1.00 0.00 N ATOM 435 CA LYS A 29 14.178 1.773 -3.730 1.00 0.00 C ATOM 436 C LYS A 29 13.432 2.983 -3.193 1.00 0.00 C ATOM 437 O LYS A 29 12.307 3.253 -3.557 1.00 0.00 O ATOM 438 CB LYS A 29 13.943 1.636 -5.223 1.00 0.00 C ATOM 439 CG LYS A 29 15.290 1.558 -5.936 1.00 0.00 C ATOM 440 CD LYS A 29 15.650 0.095 -6.197 1.00 0.00 C ATOM 441 CE LYS A 29 16.022 -0.085 -7.670 1.00 0.00 C ATOM 442 NZ LYS A 29 17.185 0.819 -7.885 1.00 0.00 N ATOM 0 H LYS A 29 12.868 0.096 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 29 15.236 1.910 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.355 0.742 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.370 2.487 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.246 2.106 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.062 2.030 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.483 -0.204 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.808 -0.549 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.281 -1.121 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.190 0.180 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.833 0.392 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.850 1.736 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.686 0.961 -6.985 1.00 0.00 H new ATOM 456 N CYS A 30 14.061 3.713 -2.335 1.00 0.00 N ATOM 457 CA CYS A 30 13.404 4.926 -1.769 1.00 0.00 C ATOM 458 C CYS A 30 12.751 5.716 -2.905 1.00 0.00 C ATOM 459 O CYS A 30 11.815 6.465 -2.701 1.00 0.00 O ATOM 460 CB CYS A 30 14.531 5.740 -1.128 1.00 0.00 C ATOM 461 SG CYS A 30 14.911 5.066 0.509 1.00 0.00 S ATOM 0 H CYS A 30 15.005 3.530 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 30 12.629 4.684 -1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.419 5.711 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.235 6.786 -1.042 1.00 0.00 H new ATOM 466 N GLY A 31 13.241 5.546 -4.104 1.00 0.00 N ATOM 467 CA GLY A 31 12.659 6.276 -5.264 1.00 0.00 C ATOM 468 C GLY A 31 11.498 5.468 -5.849 1.00 0.00 C ATOM 469 O GLY A 31 10.711 5.972 -6.622 1.00 0.00 O ATOM 0 H GLY A 31 14.022 4.930 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.309 7.259 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.422 6.438 -6.025 1.00 0.00 H new ATOM 473 N ASP A 32 11.371 4.222 -5.484 1.00 0.00 N ATOM 474 CA ASP A 32 10.244 3.414 -6.022 1.00 0.00 C ATOM 475 C ASP A 32 8.975 3.764 -5.245 1.00 0.00 C ATOM 476 O ASP A 32 7.886 3.784 -5.784 1.00 0.00 O ATOM 477 CB ASP A 32 10.654 1.959 -5.804 1.00 0.00 C ATOM 478 CG ASP A 32 10.504 1.189 -7.116 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.469 1.330 -7.747 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.428 0.476 -7.469 1.00 0.00 O ATOM 0 H ASP A 32 11.994 3.733 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 32 10.040 3.602 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.685 1.908 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.033 1.506 -5.031 1.00 0.00 H new ATOM 485 N CYS A 33 9.121 4.079 -3.988 1.00 0.00 N ATOM 486 CA CYS A 33 7.941 4.477 -3.173 1.00 0.00 C ATOM 487 C CYS A 33 7.797 5.998 -3.255 1.00 0.00 C ATOM 488 O CYS A 33 6.776 6.519 -3.658 1.00 0.00 O ATOM 489 CB CYS A 33 8.272 4.044 -1.746 1.00 0.00 C ATOM 490 SG CYS A 33 8.091 2.250 -1.596 1.00 0.00 S ATOM 0 H CYS A 33 10.011 4.078 -3.489 1.00 0.00 H new ATOM 0 HA CYS A 33 7.009 4.026 -3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.290 4.339 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.610 4.546 -1.040 1.00 0.00 H new ATOM 495 N HIS A 34 8.836 6.710 -2.904 1.00 0.00 N ATOM 496 CA HIS A 34 8.796 8.195 -2.990 1.00 0.00 C ATOM 497 C HIS A 34 9.309 8.622 -4.366 1.00 0.00 C ATOM 498 O HIS A 34 10.069 9.560 -4.485 1.00 0.00 O ATOM 499 CB HIS A 34 9.757 8.697 -1.910 1.00 0.00 C ATOM 500 CG HIS A 34 9.204 8.422 -0.537 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.056 9.037 -0.059 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.656 7.629 0.489 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.863 8.610 1.203 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.811 7.753 1.584 1.00 0.00 N ATOM 0 H HIS A 34 9.714 6.322 -2.560 1.00 0.00 H new ATOM 0 HA HIS A 34 7.790 8.592 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.725 8.209 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.923 9.767 -2.033 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.466 9.693 -0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.536 7.004 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.041 8.923 1.830 1.00 0.00 H new ATOM 512 N HIS A 35 8.919 7.922 -5.399 1.00 0.00 N ATOM 513 CA HIS A 35 9.400 8.265 -6.771 1.00 0.00 C ATOM 514 C HIS A 35 9.635 9.773 -6.906 1.00 0.00 C ATOM 515 O HIS A 35 9.085 10.561 -6.165 1.00 0.00 O ATOM 516 CB HIS A 35 8.293 7.801 -7.712 1.00 0.00 C ATOM 517 CG HIS A 35 6.971 8.269 -7.199 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.542 9.551 -7.423 1.00 0.00 N ATOM 519 CD2 HIS A 35 5.974 7.647 -6.485 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.333 9.682 -6.858 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.933 8.548 -6.272 1.00 0.00 N ATOM 0 H HIS A 35 8.285 7.124 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 35 10.352 7.786 -6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.465 8.194 -8.714 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.300 6.714 -7.790 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.051 10.276 -7.929 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.995 6.623 -6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.753 10.593 -6.874 1.00 0.00 H new ATOM 529 N PRO A 36 10.466 10.116 -7.852 1.00 0.00 N ATOM 530 CA PRO A 36 10.815 11.539 -8.091 1.00 0.00 C ATOM 531 C PRO A 36 9.598 12.333 -8.566 1.00 0.00 C ATOM 532 O PRO A 36 9.229 12.299 -9.722 1.00 0.00 O ATOM 533 CB PRO A 36 11.891 11.466 -9.174 1.00 0.00 C ATOM 534 CG PRO A 36 11.650 10.161 -9.857 1.00 0.00 C ATOM 535 CD PRO A 36 11.147 9.221 -8.794 1.00 0.00 C ATOM 0 HA PRO A 36 11.158 12.050 -7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.809 12.300 -9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.891 11.509 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.920 10.270 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.567 9.783 -10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.466 8.475 -9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.963 8.679 -8.316 1.00 0.00 H new ATOM 543 N VAL A 37 8.983 13.060 -7.674 1.00 0.00 N ATOM 544 CA VAL A 37 7.800 13.875 -8.059 1.00 0.00 C ATOM 545 C VAL A 37 8.254 15.281 -8.451 1.00 0.00 C ATOM 546 O VAL A 37 9.242 15.784 -7.955 1.00 0.00 O ATOM 547 CB VAL A 37 6.926 13.918 -6.806 1.00 0.00 C ATOM 548 CG1 VAL A 37 5.904 15.050 -6.932 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.191 12.584 -6.653 1.00 0.00 C ATOM 0 H VAL A 37 9.251 13.124 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 37 7.261 13.461 -8.911 1.00 0.00 H new ATOM 0 HB VAL A 37 7.554 14.092 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.281 15.079 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.426 16.001 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.276 14.877 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.567 12.613 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.564 12.411 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.918 11.777 -6.562 1.00 0.00 H new ATOM 559 N ASN A 38 7.547 15.920 -9.339 1.00 0.00 N ATOM 560 CA ASN A 38 7.948 17.288 -9.756 1.00 0.00 C ATOM 561 C ASN A 38 9.363 17.244 -10.328 1.00 0.00 C ATOM 562 O ASN A 38 9.565 17.114 -11.520 1.00 0.00 O ATOM 563 CB ASN A 38 7.922 18.094 -8.464 1.00 0.00 C ATOM 564 CG ASN A 38 7.889 19.590 -8.785 1.00 0.00 C ATOM 565 OD1 ASN A 38 8.638 20.060 -9.620 1.00 0.00 O ATOM 566 ND2 ASN A 38 7.048 20.363 -8.155 1.00 0.00 N ATOM 0 H ASN A 38 6.710 15.554 -9.793 1.00 0.00 H new ATOM 0 HA ASN A 38 7.299 17.715 -10.521 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.049 17.821 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.800 17.861 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.019 21.361 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.420 19.969 -7.455 1.00 0.00 H new ATOM 573 N GLY A 39 10.344 17.334 -9.477 1.00 0.00 N ATOM 574 CA GLY A 39 11.753 17.280 -9.942 1.00 0.00 C ATOM 575 C GLY A 39 12.567 16.454 -8.945 1.00 0.00 C ATOM 576 O GLY A 39 13.772 16.344 -9.054 1.00 0.00 O ATOM 0 H GLY A 39 10.227 17.444 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.806 16.834 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.163 18.287 -10.023 1.00 0.00 H new ATOM 580 N LYS A 40 11.918 15.869 -7.967 1.00 0.00 N ATOM 581 CA LYS A 40 12.668 15.053 -6.966 1.00 0.00 C ATOM 582 C LYS A 40 11.722 14.096 -6.236 1.00 0.00 C ATOM 583 O LYS A 40 10.519 14.262 -6.255 1.00 0.00 O ATOM 584 CB LYS A 40 13.258 16.071 -5.990 1.00 0.00 C ATOM 585 CG LYS A 40 12.162 17.038 -5.538 1.00 0.00 C ATOM 586 CD LYS A 40 12.383 17.412 -4.071 1.00 0.00 C ATOM 587 CE LYS A 40 11.635 18.708 -3.755 1.00 0.00 C ATOM 588 NZ LYS A 40 12.530 19.454 -2.827 1.00 0.00 N ATOM 0 H LYS A 40 10.910 15.921 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 40 13.437 14.438 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.685 15.559 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.069 16.621 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.175 17.934 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.182 16.578 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.030 16.609 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.448 17.537 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.440 19.282 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.669 18.504 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.084 20.356 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.693 18.887 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.439 19.641 -3.297 1.00 0.00 H new ATOM 602 N GLU A 41 12.258 13.093 -5.590 1.00 0.00 N ATOM 603 CA GLU A 41 11.387 12.128 -4.858 1.00 0.00 C ATOM 604 C GLU A 41 10.882 12.750 -3.558 1.00 0.00 C ATOM 605 O GLU A 41 11.643 12.983 -2.639 1.00 0.00 O ATOM 606 CB GLU A 41 12.279 10.928 -4.536 1.00 0.00 C ATOM 607 CG GLU A 41 12.448 10.058 -5.785 1.00 0.00 C ATOM 608 CD GLU A 41 13.772 9.296 -5.699 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.055 8.758 -4.641 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.479 9.264 -6.692 1.00 0.00 O ATOM 0 H GLU A 41 13.258 12.901 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 41 10.517 11.848 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.253 11.271 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.838 10.341 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.617 9.357 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.431 10.680 -6.680 1.00 0.00 H new ATOM 617 N ASP A 42 9.610 13.004 -3.457 1.00 0.00 N ATOM 618 CA ASP A 42 9.086 13.588 -2.195 1.00 0.00 C ATOM 619 C ASP A 42 9.211 12.554 -1.080 1.00 0.00 C ATOM 620 O ASP A 42 8.438 11.621 -0.992 1.00 0.00 O ATOM 621 CB ASP A 42 7.621 13.908 -2.459 1.00 0.00 C ATOM 622 CG ASP A 42 7.513 15.237 -3.208 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.059 15.329 -4.295 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.886 16.142 -2.681 1.00 0.00 O ATOM 0 H ASP A 42 8.916 12.835 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 42 9.633 14.481 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.164 13.111 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.075 13.964 -1.517 1.00 0.00 H new ATOM 629 N TYR A 43 10.183 12.708 -0.236 1.00 0.00 N ATOM 630 CA TYR A 43 10.373 11.728 0.868 1.00 0.00 C ATOM 631 C TYR A 43 9.434 12.057 2.030 1.00 0.00 C ATOM 632 O TYR A 43 9.863 12.273 3.146 1.00 0.00 O ATOM 633 CB TYR A 43 11.832 11.886 1.297 1.00 0.00 C ATOM 634 CG TYR A 43 12.740 11.511 0.149 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.920 10.165 -0.196 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.406 12.511 -0.570 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.762 9.821 -1.259 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.250 12.167 -1.632 1.00 0.00 C ATOM 639 CZ TYR A 43 14.428 10.822 -1.976 1.00 0.00 C ATOM 640 OH TYR A 43 15.260 10.482 -3.024 1.00 0.00 O ATOM 0 H TYR A 43 10.859 13.472 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 43 10.151 10.707 0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.022 12.915 1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.039 11.253 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.408 9.393 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.268 13.549 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.898 8.784 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.764 12.939 -2.186 1.00 0.00 H new ATOM 0 HH TYR A 43 14.997 9.608 -3.380 1.00 0.00 H new ATOM 650 N GLN A 44 8.154 12.098 1.779 1.00 0.00 N ATOM 651 CA GLN A 44 7.191 12.417 2.873 1.00 0.00 C ATOM 652 C GLN A 44 6.023 11.431 2.858 1.00 0.00 C ATOM 653 O GLN A 44 5.919 10.586 1.993 1.00 0.00 O ATOM 654 CB GLN A 44 6.704 13.835 2.576 1.00 0.00 C ATOM 655 CG GLN A 44 6.335 13.949 1.096 1.00 0.00 C ATOM 656 CD GLN A 44 5.764 15.340 0.816 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.717 15.471 0.213 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.414 16.394 1.230 1.00 0.00 N ATOM 0 H GLN A 44 7.733 11.925 0.866 1.00 0.00 H new ATOM 0 HA GLN A 44 7.651 12.345 3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.839 14.071 3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.482 14.557 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.215 13.775 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.604 13.185 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.293 16.285 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.043 17.326 1.047 1.00 0.00 H new ATOM 667 N LYS A 45 5.147 11.530 3.817 1.00 0.00 N ATOM 668 CA LYS A 45 3.991 10.594 3.869 1.00 0.00 C ATOM 669 C LYS A 45 3.383 10.408 2.481 1.00 0.00 C ATOM 670 O LYS A 45 3.186 11.352 1.742 1.00 0.00 O ATOM 671 CB LYS A 45 2.979 11.248 4.805 1.00 0.00 C ATOM 672 CG LYS A 45 2.864 12.741 4.487 1.00 0.00 C ATOM 673 CD LYS A 45 1.800 13.370 5.389 1.00 0.00 C ATOM 674 CE LYS A 45 2.122 14.851 5.604 1.00 0.00 C ATOM 675 NZ LYS A 45 1.454 15.206 6.887 1.00 0.00 N ATOM 0 H LYS A 45 5.182 12.219 4.568 1.00 0.00 H new ATOM 0 HA LYS A 45 4.292 9.606 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.006 10.768 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.288 11.111 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.825 13.232 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.598 12.882 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.815 13.263 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.768 12.851 6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.198 15.017 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.747 15.460 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.629 16.208 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.430 15.044 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.836 14.615 7.652 1.00 0.00 H new ATOM 689 N CYS A 46 3.075 9.193 2.129 1.00 0.00 N ATOM 690 CA CYS A 46 2.467 8.928 0.797 1.00 0.00 C ATOM 691 C CYS A 46 1.225 9.799 0.607 1.00 0.00 C ATOM 692 O CYS A 46 0.958 10.299 -0.467 1.00 0.00 O ATOM 693 CB CYS A 46 2.078 7.454 0.843 1.00 0.00 C ATOM 694 SG CYS A 46 3.569 6.436 0.985 1.00 0.00 S ATOM 0 H CYS A 46 3.219 8.367 2.710 1.00 0.00 H new ATOM 0 HA CYS A 46 3.144 9.153 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.417 7.268 1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.526 7.185 -0.058 1.00 0.00 H new ATOM 699 N ALA A 47 0.460 9.967 1.647 1.00 0.00 N ATOM 700 CA ALA A 47 -0.781 10.791 1.546 1.00 0.00 C ATOM 701 C ALA A 47 -0.558 12.189 2.125 1.00 0.00 C ATOM 702 O ALA A 47 -1.342 12.674 2.916 1.00 0.00 O ATOM 703 CB ALA A 47 -1.810 10.044 2.382 1.00 0.00 C ATOM 0 H ALA A 47 0.639 9.568 2.569 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.094 10.925 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.757 10.584 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.954 9.044 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.457 9.968 3.411 1.00 0.00 H new ATOM 709 N THR A 48 0.504 12.836 1.745 1.00 0.00 N ATOM 710 CA THR A 48 0.779 14.200 2.272 1.00 0.00 C ATOM 711 C THR A 48 -0.470 15.086 2.157 1.00 0.00 C ATOM 712 O THR A 48 -1.551 14.620 1.852 1.00 0.00 O ATOM 713 CB THR A 48 1.915 14.748 1.406 1.00 0.00 C ATOM 714 OG1 THR A 48 2.772 13.682 1.024 1.00 0.00 O ATOM 715 CG2 THR A 48 2.713 15.784 2.198 1.00 0.00 C ATOM 0 H THR A 48 1.198 12.478 1.089 1.00 0.00 H new ATOM 0 HA THR A 48 1.050 14.180 3.328 1.00 0.00 H new ATOM 0 HB THR A 48 1.497 15.219 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.284 13.942 0.230 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.521 16.172 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.056 16.602 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.132 15.317 3.089 1.00 0.00 H new ATOM 723 N ALA A 49 -0.328 16.356 2.409 1.00 0.00 N ATOM 724 CA ALA A 49 -1.504 17.278 2.329 1.00 0.00 C ATOM 725 C ALA A 49 -1.904 17.529 0.871 1.00 0.00 C ATOM 726 O ALA A 49 -2.935 18.108 0.591 1.00 0.00 O ATOM 727 CB ALA A 49 -1.032 18.577 2.986 1.00 0.00 C ATOM 0 H ALA A 49 0.553 16.801 2.668 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.382 16.860 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.840 19.308 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.745 18.379 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.174 18.970 2.440 1.00 0.00 H new ATOM 733 N GLY A 50 -1.103 17.089 -0.055 1.00 0.00 N ATOM 734 CA GLY A 50 -1.436 17.287 -1.495 1.00 0.00 C ATOM 735 C GLY A 50 -0.935 16.068 -2.256 1.00 0.00 C ATOM 736 O GLY A 50 -0.737 16.091 -3.454 1.00 0.00 O ATOM 0 H GLY A 50 -0.227 16.598 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.512 17.405 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.967 18.195 -1.875 1.00 0.00 H new ATOM 740 N CYS A 51 -0.710 15.009 -1.540 1.00 0.00 N ATOM 741 CA CYS A 51 -0.200 13.765 -2.140 1.00 0.00 C ATOM 742 C CYS A 51 -1.351 12.752 -2.276 1.00 0.00 C ATOM 743 O CYS A 51 -2.419 13.094 -2.745 1.00 0.00 O ATOM 744 CB CYS A 51 0.841 13.354 -1.104 1.00 0.00 C ATOM 745 SG CYS A 51 2.484 13.859 -1.669 1.00 0.00 S ATOM 0 H CYS A 51 -0.865 14.959 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 51 0.214 13.848 -3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.617 13.817 -0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.812 12.275 -0.952 1.00 0.00 H new ATOM 750 N HIS A 52 -1.167 11.523 -1.874 1.00 0.00 N ATOM 751 CA HIS A 52 -2.277 10.537 -1.993 1.00 0.00 C ATOM 752 C HIS A 52 -3.273 10.754 -0.851 1.00 0.00 C ATOM 753 O HIS A 52 -3.544 9.864 -0.072 1.00 0.00 O ATOM 754 CB HIS A 52 -1.609 9.166 -1.867 1.00 0.00 C ATOM 755 CG HIS A 52 -0.758 8.905 -3.069 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.311 8.730 -4.313 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.601 8.794 -3.239 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.306 8.525 -5.185 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.883 8.558 -4.579 1.00 0.00 N ATOM 0 H HIS A 52 -0.302 11.162 -1.471 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.825 10.632 -2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.000 9.130 -0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.367 8.389 -1.771 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.306 8.751 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.336 8.877 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.444 8.355 -6.243 1.00 0.00 H new ATOM 767 N ASP A 53 -3.807 11.940 -0.738 1.00 0.00 N ATOM 768 CA ASP A 53 -4.769 12.221 0.365 1.00 0.00 C ATOM 769 C ASP A 53 -6.217 12.172 -0.132 1.00 0.00 C ATOM 770 O ASP A 53 -7.099 12.763 0.461 1.00 0.00 O ATOM 771 CB ASP A 53 -4.419 13.631 0.844 1.00 0.00 C ATOM 772 CG ASP A 53 -5.364 14.036 1.976 1.00 0.00 C ATOM 773 OD1 ASP A 53 -6.013 13.158 2.523 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.423 15.216 2.278 1.00 0.00 O ATOM 0 H ASP A 53 -3.619 12.725 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.694 11.479 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.386 13.663 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.500 14.338 0.018 1.00 0.00 H new ATOM 779 N ASN A 54 -6.485 11.470 -1.201 1.00 0.00 N ATOM 780 CA ASN A 54 -7.890 11.398 -1.691 1.00 0.00 C ATOM 781 C ASN A 54 -8.667 10.379 -0.855 1.00 0.00 C ATOM 782 O ASN A 54 -8.461 9.187 -0.965 1.00 0.00 O ATOM 783 CB ASN A 54 -7.794 10.945 -3.147 1.00 0.00 C ATOM 784 CG ASN A 54 -8.788 11.741 -3.995 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.671 11.102 -4.711 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.758 12.956 -4.008 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.800 10.950 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.410 12.352 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.781 11.094 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.007 9.879 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.067 13.455 -3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.424 13.477 -4.579 1.00 0.00 H new ATOM 793 N MET A 55 -9.549 10.839 -0.011 1.00 0.00 N ATOM 794 CA MET A 55 -10.325 9.896 0.842 1.00 0.00 C ATOM 795 C MET A 55 -11.478 9.277 0.048 1.00 0.00 C ATOM 796 O MET A 55 -12.367 8.663 0.606 1.00 0.00 O ATOM 797 CB MET A 55 -10.862 10.756 1.985 1.00 0.00 C ATOM 798 CG MET A 55 -9.696 11.269 2.832 1.00 0.00 C ATOM 799 SD MET A 55 -9.442 10.162 4.241 1.00 0.00 S ATOM 800 CE MET A 55 -8.577 8.848 3.345 1.00 0.00 C ATOM 0 H MET A 55 -9.766 11.826 0.125 1.00 0.00 H new ATOM 0 HA MET A 55 -9.714 9.068 1.201 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.432 11.595 1.586 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.545 10.173 2.603 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.790 11.321 2.229 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.904 12.280 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.808 8.417 3.985 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.288 8.073 3.060 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.114 9.262 2.450 1.00 0.00 H new ATOM 810 N ASP A 56 -11.471 9.424 -1.248 1.00 0.00 N ATOM 811 CA ASP A 56 -12.567 8.834 -2.067 1.00 0.00 C ATOM 812 C ASP A 56 -12.316 7.339 -2.271 1.00 0.00 C ATOM 813 O ASP A 56 -13.208 6.591 -2.620 1.00 0.00 O ATOM 814 CB ASP A 56 -12.508 9.578 -3.402 1.00 0.00 C ATOM 815 CG ASP A 56 -13.916 9.680 -3.993 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.322 8.751 -4.670 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.564 10.686 -3.755 1.00 0.00 O ATOM 0 H ASP A 56 -10.756 9.926 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.543 8.933 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.090 10.574 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.849 9.053 -4.094 1.00 0.00 H new ATOM 822 N LYS A 57 -11.107 6.898 -2.051 1.00 0.00 N ATOM 823 CA LYS A 57 -10.794 5.452 -2.227 1.00 0.00 C ATOM 824 C LYS A 57 -11.266 4.968 -3.601 1.00 0.00 C ATOM 825 O LYS A 57 -11.424 3.786 -3.833 1.00 0.00 O ATOM 826 CB LYS A 57 -11.557 4.746 -1.108 1.00 0.00 C ATOM 827 CG LYS A 57 -11.167 5.367 0.233 1.00 0.00 C ATOM 828 CD LYS A 57 -12.424 5.832 0.970 1.00 0.00 C ATOM 829 CE LYS A 57 -13.278 4.617 1.343 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.289 5.141 2.302 1.00 0.00 N ATOM 0 H LYS A 57 -10.322 7.478 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.724 5.250 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.631 4.840 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.327 3.681 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.627 4.639 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.495 6.210 0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.148 6.385 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.997 6.512 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.755 4.184 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.672 3.832 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.914 4.367 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.806 5.541 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.854 5.882 1.840 1.00 0.00 H new ATOM 844 N LYS A 58 -11.488 5.874 -4.514 1.00 0.00 N ATOM 845 CA LYS A 58 -11.944 5.469 -5.875 1.00 0.00 C ATOM 846 C LYS A 58 -11.191 6.267 -6.944 1.00 0.00 C ATOM 847 O LYS A 58 -11.445 6.134 -8.124 1.00 0.00 O ATOM 848 CB LYS A 58 -13.434 5.804 -5.908 1.00 0.00 C ATOM 849 CG LYS A 58 -14.141 5.110 -4.742 1.00 0.00 C ATOM 850 CD LYS A 58 -15.293 4.258 -5.277 1.00 0.00 C ATOM 851 CE LYS A 58 -16.607 5.030 -5.136 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.915 4.998 -3.679 1.00 0.00 N ATOM 0 H LYS A 58 -11.373 6.878 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.758 4.414 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.576 6.883 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.869 5.482 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.435 4.484 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.520 5.852 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.118 4.006 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.350 3.318 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.504 6.054 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.403 4.566 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.891 4.669 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.258 4.350 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.811 5.953 -3.281 1.00 0.00 H new ATOM 866 N ASP A 59 -10.265 7.095 -6.540 1.00 0.00 N ATOM 867 CA ASP A 59 -9.499 7.900 -7.536 1.00 0.00 C ATOM 868 C ASP A 59 -8.442 7.028 -8.220 1.00 0.00 C ATOM 869 O ASP A 59 -7.424 6.702 -7.643 1.00 0.00 O ATOM 870 CB ASP A 59 -8.834 9.012 -6.723 1.00 0.00 C ATOM 871 CG ASP A 59 -7.664 9.600 -7.514 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.673 8.907 -7.670 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.780 10.733 -7.950 1.00 0.00 O ATOM 0 H ASP A 59 -10.006 7.249 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.139 8.299 -8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.560 9.792 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.480 8.617 -5.771 1.00 0.00 H new ATOM 878 N LYS A 60 -8.674 6.650 -9.448 1.00 0.00 N ATOM 879 CA LYS A 60 -7.682 5.803 -10.168 1.00 0.00 C ATOM 880 C LYS A 60 -6.513 6.661 -10.658 1.00 0.00 C ATOM 881 O LYS A 60 -5.626 6.188 -11.341 1.00 0.00 O ATOM 882 CB LYS A 60 -8.451 5.218 -11.352 1.00 0.00 C ATOM 883 CG LYS A 60 -8.950 3.816 -10.998 1.00 0.00 C ATOM 884 CD LYS A 60 -9.593 3.834 -9.610 1.00 0.00 C ATOM 885 CE LYS A 60 -9.926 2.403 -9.184 1.00 0.00 C ATOM 886 NZ LYS A 60 -10.789 2.552 -7.978 1.00 0.00 N ATOM 0 H LYS A 60 -9.508 6.891 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.260 5.026 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.294 5.862 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.808 5.175 -12.231 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.673 3.479 -11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.121 3.109 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.915 4.291 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.499 4.441 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.445 1.866 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.022 1.838 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.059 1.611 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.266 3.061 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.645 3.087 -8.228 1.00 0.00 H new ATOM 900 N SER A 61 -6.505 7.920 -10.315 1.00 0.00 N ATOM 901 CA SER A 61 -5.394 8.809 -10.762 1.00 0.00 C ATOM 902 C SER A 61 -4.164 8.608 -9.874 1.00 0.00 C ATOM 903 O SER A 61 -4.051 7.630 -9.163 1.00 0.00 O ATOM 904 CB SER A 61 -5.938 10.228 -10.613 1.00 0.00 C ATOM 905 OG SER A 61 -6.676 10.574 -11.778 1.00 0.00 O ATOM 0 H SER A 61 -7.220 8.372 -9.745 1.00 0.00 H new ATOM 0 HA SER A 61 -5.083 8.598 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.576 10.294 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.118 10.931 -10.466 1.00 0.00 H new ATOM 0 HG SER A 61 -7.028 11.484 -11.684 1.00 0.00 H new ATOM 911 N ALA A 62 -3.240 9.530 -9.910 1.00 0.00 N ATOM 912 CA ALA A 62 -2.016 9.396 -9.071 1.00 0.00 C ATOM 913 C ALA A 62 -2.140 10.258 -7.810 1.00 0.00 C ATOM 914 O ALA A 62 -1.158 10.737 -7.276 1.00 0.00 O ATOM 915 CB ALA A 62 -0.879 9.906 -9.956 1.00 0.00 C ATOM 0 H ALA A 62 -3.281 10.371 -10.485 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.851 8.371 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.063 9.841 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.819 9.297 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.069 10.944 -10.230 1.00 0.00 H new ATOM 921 N LYS A 63 -3.337 10.463 -7.332 1.00 0.00 N ATOM 922 CA LYS A 63 -3.522 11.299 -6.109 1.00 0.00 C ATOM 923 C LYS A 63 -4.441 10.590 -5.111 1.00 0.00 C ATOM 924 O LYS A 63 -4.763 11.122 -4.067 1.00 0.00 O ATOM 925 CB LYS A 63 -4.178 12.586 -6.607 1.00 0.00 C ATOM 926 CG LYS A 63 -3.729 13.760 -5.734 1.00 0.00 C ATOM 927 CD LYS A 63 -2.706 14.603 -6.497 1.00 0.00 C ATOM 928 CE LYS A 63 -3.314 15.969 -6.827 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.168 16.795 -7.298 1.00 0.00 N ATOM 0 H LYS A 63 -4.196 10.088 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.579 11.487 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.905 12.767 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.263 12.489 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.588 14.372 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.292 13.391 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.804 14.730 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.411 14.093 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.082 15.884 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.787 16.413 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.505 17.748 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.456 16.863 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.742 16.351 -8.137 1.00 0.00 H new ATOM 943 N GLY A 64 -4.867 9.398 -5.420 1.00 0.00 N ATOM 944 CA GLY A 64 -5.763 8.667 -4.489 1.00 0.00 C ATOM 945 C GLY A 64 -4.926 7.949 -3.438 1.00 0.00 C ATOM 946 O GLY A 64 -3.778 7.617 -3.659 1.00 0.00 O ATOM 0 H GLY A 64 -4.632 8.900 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.451 9.362 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.369 7.948 -5.040 1.00 0.00 H new ATOM 950 N TYR A 65 -5.491 7.714 -2.293 1.00 0.00 N ATOM 951 CA TYR A 65 -4.734 7.022 -1.214 1.00 0.00 C ATOM 952 C TYR A 65 -4.962 5.512 -1.273 1.00 0.00 C ATOM 953 O TYR A 65 -4.145 4.737 -0.822 1.00 0.00 O ATOM 954 CB TYR A 65 -5.290 7.586 0.089 1.00 0.00 C ATOM 955 CG TYR A 65 -4.391 7.168 1.225 1.00 0.00 C ATOM 956 CD1 TYR A 65 -3.034 7.512 1.205 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.911 6.432 2.293 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.199 7.121 2.258 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.077 6.040 3.345 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.720 6.386 3.327 1.00 0.00 C ATOM 961 OH TYR A 65 -1.897 6.001 4.363 1.00 0.00 O ATOM 0 H TYR A 65 -6.449 7.971 -2.054 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.660 7.183 -1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.348 8.673 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.303 7.220 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.632 8.078 0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.958 6.166 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.152 7.387 2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.479 5.471 4.170 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.265 5.323 4.044 1.00 0.00 H new ATOM 971 N TYR A 66 -6.067 5.083 -1.815 1.00 0.00 N ATOM 972 CA TYR A 66 -6.334 3.624 -1.885 1.00 0.00 C ATOM 973 C TYR A 66 -5.948 3.087 -3.267 1.00 0.00 C ATOM 974 O TYR A 66 -5.996 1.900 -3.520 1.00 0.00 O ATOM 975 CB TYR A 66 -7.837 3.505 -1.640 1.00 0.00 C ATOM 976 CG TYR A 66 -8.358 2.241 -2.269 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.527 2.179 -3.653 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.665 1.135 -1.470 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.006 1.005 -4.247 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.143 -0.039 -2.060 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.315 -0.106 -3.449 1.00 0.00 C ATOM 982 OH TYR A 66 -9.787 -1.264 -4.033 1.00 0.00 O ATOM 0 H TYR A 66 -6.794 5.679 -2.211 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.759 3.047 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.041 3.500 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.352 4.369 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.288 3.036 -4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.533 1.188 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.137 0.955 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.380 -0.895 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.951 -1.937 -3.340 1.00 0.00 H new ATOM 992 N HIS A 67 -5.561 3.950 -4.164 1.00 0.00 N ATOM 993 CA HIS A 67 -5.168 3.483 -5.525 1.00 0.00 C ATOM 994 C HIS A 67 -3.688 3.094 -5.543 1.00 0.00 C ATOM 995 O HIS A 67 -3.340 1.937 -5.671 1.00 0.00 O ATOM 996 CB HIS A 67 -5.415 4.679 -6.443 1.00 0.00 C ATOM 997 CG HIS A 67 -4.679 4.464 -7.734 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.108 3.549 -8.679 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.523 5.010 -8.236 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.222 3.565 -9.689 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.236 4.439 -9.471 1.00 0.00 N ATOM 0 H HIS A 67 -5.499 4.957 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.733 2.605 -5.838 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.482 4.794 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.075 5.598 -5.964 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.944 2.968 -8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.928 5.767 -7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.298 2.946 -10.571 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.815 4.054 -5.425 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.356 3.750 -5.447 1.00 0.00 C ATOM 1011 C ALA A 68 -1.016 2.616 -4.474 1.00 0.00 C ATOM 1012 O ALA A 68 0.037 2.019 -4.554 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.678 5.046 -5.004 1.00 0.00 C ATOM 0 H ALA A 68 -3.049 5.041 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.027 3.423 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.403 4.906 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.933 5.846 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.019 5.312 -4.003 1.00 0.00 H new ATOM 1019 N MET A 69 -1.879 2.325 -3.539 1.00 0.00 N ATOM 1020 CA MET A 69 -1.572 1.241 -2.561 1.00 0.00 C ATOM 1021 C MET A 69 -2.105 -0.112 -3.031 1.00 0.00 C ATOM 1022 O MET A 69 -1.428 -1.114 -2.930 1.00 0.00 O ATOM 1023 CB MET A 69 -2.264 1.676 -1.276 1.00 0.00 C ATOM 1024 CG MET A 69 -1.665 3.004 -0.812 1.00 0.00 C ATOM 1025 SD MET A 69 -0.645 2.734 0.657 1.00 0.00 S ATOM 1026 CE MET A 69 0.660 3.915 0.236 1.00 0.00 C ATOM 0 H MET A 69 -2.779 2.788 -3.410 1.00 0.00 H new ATOM 0 HA MET A 69 -0.498 1.106 -2.434 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.336 1.785 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.138 0.916 -0.505 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.063 3.440 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.461 3.714 -0.588 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.350 4.009 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.201 3.562 -0.642 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.216 4.887 0.021 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.307 -0.165 -3.530 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.851 -1.476 -3.979 1.00 0.00 C ATOM 1038 C HIS A 70 -3.670 -1.653 -5.487 1.00 0.00 C ATOM 1039 O HIS A 70 -3.740 -2.749 -6.005 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.337 -1.429 -3.631 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.503 -1.026 -2.195 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.849 0.263 -1.828 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.388 -1.731 -1.026 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.932 0.295 -0.488 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.661 -0.894 0.050 1.00 0.00 N ATOM 0 H HIS A 70 -3.931 0.633 -3.646 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.338 -2.310 -3.500 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.851 -0.720 -4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.792 -2.405 -3.801 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.011 1.046 -2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.126 -2.776 -0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.187 1.175 0.083 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.449 -0.584 -6.196 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.279 -0.695 -7.672 1.00 0.00 C ATOM 1055 C ASP A 71 -1.846 -1.099 -8.023 1.00 0.00 C ATOM 1056 O ASP A 71 -0.897 -0.432 -7.666 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.595 0.702 -8.194 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.088 0.976 -8.018 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.556 0.900 -6.894 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.740 1.254 -9.011 1.00 0.00 O ATOM 0 H ASP A 71 -3.379 0.361 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.924 -1.456 -8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.010 1.446 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.320 0.782 -9.246 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.686 -2.190 -8.725 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.317 -2.643 -9.105 1.00 0.00 C ATOM 1067 C LYS A 72 0.169 -1.887 -10.341 1.00 0.00 C ATOM 1068 O LYS A 72 1.239 -1.311 -10.349 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.467 -4.134 -9.414 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.226 -4.821 -8.277 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.323 -5.712 -8.862 1.00 0.00 C ATOM 1072 CE LYS A 72 -3.686 -5.048 -8.653 1.00 0.00 C ATOM 1073 NZ LYS A 72 -4.101 -4.588 -10.007 1.00 0.00 N ATOM 0 H LYS A 72 -2.446 -2.787 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 72 0.412 -2.459 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.001 -4.269 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.515 -4.591 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.540 -5.418 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.664 -4.074 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.145 -5.875 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.306 -6.691 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.408 -5.751 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.616 -4.213 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.028 -4.121 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.399 -3.915 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.166 -5.406 -10.647 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.609 -1.887 -11.385 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.198 -1.170 -12.626 1.00 0.00 C ATOM 1089 C GLY A 73 -0.161 0.334 -12.355 1.00 0.00 C ATOM 1090 O GLY A 73 -0.871 1.105 -12.971 1.00 0.00 O ATOM 0 H GLY A 73 -1.515 -2.353 -11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.783 -1.516 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.897 -1.388 -13.434 1.00 0.00 H new ATOM 1094 N THR A 74 0.656 0.757 -11.432 1.00 0.00 N ATOM 1095 CA THR A 74 0.737 2.210 -11.111 1.00 0.00 C ATOM 1096 C THR A 74 2.070 2.795 -11.586 1.00 0.00 C ATOM 1097 O THR A 74 3.018 2.078 -11.838 1.00 0.00 O ATOM 1098 CB THR A 74 0.657 2.274 -9.587 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.422 1.213 -9.032 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.798 2.143 -9.137 1.00 0.00 C ATOM 0 H THR A 74 1.273 0.158 -10.884 1.00 0.00 H new ATOM 0 HA THR A 74 -0.053 2.780 -11.599 1.00 0.00 H new ATOM 0 HB THR A 74 1.052 3.231 -9.245 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.375 1.432 -9.091 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.848 2.189 -8.049 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.385 2.957 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.200 1.189 -9.478 1.00 0.00 H new ATOM 1108 N LYS A 75 2.149 4.095 -11.696 1.00 0.00 N ATOM 1109 CA LYS A 75 3.422 4.733 -12.138 1.00 0.00 C ATOM 1110 C LYS A 75 4.615 4.005 -11.509 1.00 0.00 C ATOM 1111 O LYS A 75 5.626 3.781 -12.145 1.00 0.00 O ATOM 1112 CB LYS A 75 3.338 6.171 -11.614 1.00 0.00 C ATOM 1113 CG LYS A 75 4.210 7.086 -12.475 1.00 0.00 C ATOM 1114 CD LYS A 75 3.765 6.998 -13.936 1.00 0.00 C ATOM 1115 CE LYS A 75 4.947 6.563 -14.806 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.816 7.768 -14.900 1.00 0.00 N ATOM 0 H LYS A 75 1.386 4.742 -11.498 1.00 0.00 H new ATOM 0 HA LYS A 75 3.556 4.697 -13.219 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.304 6.515 -11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.668 6.210 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.133 8.115 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.257 6.796 -12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.946 6.286 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.390 7.965 -14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.481 5.725 -14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.614 6.238 -15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.997 7.988 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.340 8.575 -14.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.718 7.584 -14.417 1.00 0.00 H new ATOM 1130 N PHE A 76 4.498 3.633 -10.263 1.00 0.00 N ATOM 1131 CA PHE A 76 5.618 2.914 -9.584 1.00 0.00 C ATOM 1132 C PHE A 76 5.101 1.656 -8.901 1.00 0.00 C ATOM 1133 O PHE A 76 3.917 1.382 -8.903 1.00 0.00 O ATOM 1134 CB PHE A 76 6.135 3.885 -8.530 1.00 0.00 C ATOM 1135 CG PHE A 76 6.500 5.183 -9.192 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.733 5.325 -9.838 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.592 6.248 -9.170 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.057 6.534 -10.461 1.00 0.00 C ATOM 1139 CE2 PHE A 76 5.918 7.455 -9.791 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.148 7.598 -10.436 1.00 0.00 C ATOM 0 H PHE A 76 3.674 3.796 -9.684 1.00 0.00 H new ATOM 0 HA PHE A 76 6.391 2.613 -10.291 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.374 4.053 -7.768 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.004 3.463 -8.025 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.433 4.503 -9.855 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.640 6.136 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.008 6.647 -10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.219 8.278 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.399 8.532 -10.917 1.00 0.00 H new ATOM 1150 N LYS A 77 5.967 0.892 -8.289 1.00 0.00 N ATOM 1151 CA LYS A 77 5.478 -0.319 -7.593 1.00 0.00 C ATOM 1152 C LYS A 77 4.724 0.111 -6.341 1.00 0.00 C ATOM 1153 O LYS A 77 5.273 0.687 -5.423 1.00 0.00 O ATOM 1154 CB LYS A 77 6.705 -1.147 -7.246 1.00 0.00 C ATOM 1155 CG LYS A 77 7.653 -0.344 -6.358 1.00 0.00 C ATOM 1156 CD LYS A 77 8.995 -1.075 -6.269 1.00 0.00 C ATOM 1157 CE LYS A 77 9.511 -1.372 -7.679 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.992 -2.731 -8.001 1.00 0.00 N ATOM 0 H LYS A 77 6.973 1.055 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 77 4.797 -0.908 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.403 -2.061 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.219 -1.448 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.796 0.656 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.224 -0.222 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.718 -0.465 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.879 -2.004 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.152 -0.633 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.600 -1.347 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.778 -3.412 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.291 -3.013 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.544 -2.718 -8.940 1.00 0.00 H new ATOM 1172 N SER A 78 3.460 -0.145 -6.333 1.00 0.00 N ATOM 1173 CA SER A 78 2.598 0.257 -5.185 1.00 0.00 C ATOM 1174 C SER A 78 2.746 -0.712 -4.012 1.00 0.00 C ATOM 1175 O SER A 78 3.400 -1.731 -4.108 1.00 0.00 O ATOM 1176 CB SER A 78 1.179 0.189 -5.740 1.00 0.00 C ATOM 1177 OG SER A 78 1.093 -0.888 -6.665 1.00 0.00 O ATOM 0 H SER A 78 2.968 -0.626 -7.086 1.00 0.00 H new ATOM 0 HA SER A 78 2.864 1.243 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.464 0.047 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.922 1.128 -6.231 1.00 0.00 H new ATOM 0 HG SER A 78 0.260 -0.814 -7.176 1.00 0.00 H new ATOM 1183 N CYS A 79 2.124 -0.402 -2.905 1.00 0.00 N ATOM 1184 CA CYS A 79 2.206 -1.302 -1.722 1.00 0.00 C ATOM 1185 C CYS A 79 1.710 -2.694 -2.114 1.00 0.00 C ATOM 1186 O CYS A 79 2.461 -3.649 -2.141 1.00 0.00 O ATOM 1187 CB CYS A 79 1.283 -0.662 -0.683 1.00 0.00 C ATOM 1188 SG CYS A 79 1.807 1.047 -0.377 1.00 0.00 S ATOM 0 H CYS A 79 1.562 0.438 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 79 3.220 -1.418 -1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.252 -0.679 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.311 -1.234 0.245 1.00 0.00 H new ATOM 1193 N VAL A 80 0.453 -2.809 -2.443 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.091 -4.132 -2.862 1.00 0.00 C ATOM 1195 C VAL A 80 0.528 -4.529 -4.206 1.00 0.00 C ATOM 1196 O VAL A 80 0.694 -5.694 -4.506 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.598 -3.913 -3.005 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.213 -5.062 -3.805 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.244 -3.857 -1.613 1.00 0.00 C ATOM 0 H VAL A 80 -0.221 -2.044 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 80 0.132 -4.928 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.776 -2.973 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.287 -4.902 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.758 -5.100 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.033 -6.004 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.318 -3.701 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.062 -4.796 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.811 -3.035 -1.044 1.00 0.00 H new ATOM 1209 N GLY A 81 0.878 -3.561 -5.011 1.00 0.00 N ATOM 1210 CA GLY A 81 1.497 -3.870 -6.331 1.00 0.00 C ATOM 1211 C GLY A 81 2.890 -4.456 -6.101 1.00 0.00 C ATOM 1212 O GLY A 81 3.287 -5.411 -6.738 1.00 0.00 O ATOM 0 H GLY A 81 0.761 -2.568 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.877 -4.577 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.564 -2.966 -6.937 1.00 0.00 H new ATOM 1216 N CYS A 82 3.629 -3.903 -5.178 1.00 0.00 N ATOM 1217 CA CYS A 82 4.987 -4.441 -4.888 1.00 0.00 C ATOM 1218 C CYS A 82 4.843 -5.670 -4.001 1.00 0.00 C ATOM 1219 O CYS A 82 5.715 -6.513 -3.924 1.00 0.00 O ATOM 1220 CB CYS A 82 5.713 -3.327 -4.133 1.00 0.00 C ATOM 1221 SG CYS A 82 7.500 -3.522 -4.345 1.00 0.00 S ATOM 0 H CYS A 82 3.350 -3.101 -4.612 1.00 0.00 H new ATOM 0 HA CYS A 82 5.530 -4.729 -5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.396 -2.353 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.455 -3.362 -3.074 1.00 0.00 H new ATOM 1226 N HIS A 83 3.732 -5.768 -3.332 1.00 0.00 N ATOM 1227 CA HIS A 83 3.487 -6.926 -2.438 1.00 0.00 C ATOM 1228 C HIS A 83 3.131 -8.160 -3.273 1.00 0.00 C ATOM 1229 O HIS A 83 3.774 -9.188 -3.176 1.00 0.00 O ATOM 1230 CB HIS A 83 2.324 -6.470 -1.558 1.00 0.00 C ATOM 1231 CG HIS A 83 2.878 -5.754 -0.361 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.171 -5.618 0.822 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.085 -5.133 -0.150 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.948 -4.942 1.684 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.124 -4.623 1.142 1.00 0.00 N ATOM 0 H HIS A 83 2.975 -5.086 -3.368 1.00 0.00 H new ATOM 0 HA HIS A 83 4.353 -7.212 -1.840 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.661 -5.811 -2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.729 -7.328 -1.243 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.231 -5.968 1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.881 -5.053 -0.876 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.656 -4.688 2.692 1.00 0.00 H new ATOM 1243 N LEU A 84 2.131 -8.069 -4.107 1.00 0.00 N ATOM 1244 CA LEU A 84 1.766 -9.231 -4.956 1.00 0.00 C ATOM 1245 C LEU A 84 2.991 -9.688 -5.750 1.00 0.00 C ATOM 1246 O LEU A 84 3.115 -10.841 -6.115 1.00 0.00 O ATOM 1247 CB LEU A 84 0.685 -8.689 -5.884 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.547 -9.586 -5.803 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.783 -8.794 -6.228 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.366 -10.790 -6.730 1.00 0.00 C ATOM 0 H LEU A 84 1.553 -7.239 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 84 1.420 -10.093 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.425 -7.669 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.055 -8.652 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.675 -9.935 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.663 -9.434 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.913 -7.939 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.656 -8.443 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.246 -11.430 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.237 -10.444 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.514 -11.355 -6.424 1.00 0.00 H new ATOM 1262 N GLU A 85 3.901 -8.789 -6.014 1.00 0.00 N ATOM 1263 CA GLU A 85 5.126 -9.164 -6.776 1.00 0.00 C ATOM 1264 C GLU A 85 6.165 -9.759 -5.822 1.00 0.00 C ATOM 1265 O GLU A 85 6.767 -10.777 -6.101 1.00 0.00 O ATOM 1266 CB GLU A 85 5.636 -7.856 -7.381 1.00 0.00 C ATOM 1267 CG GLU A 85 5.184 -7.755 -8.839 1.00 0.00 C ATOM 1268 CD GLU A 85 5.575 -6.389 -9.403 1.00 0.00 C ATOM 1269 OE1 GLU A 85 5.679 -5.456 -8.623 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.766 -6.298 -10.604 1.00 0.00 O ATOM 0 H GLU A 85 3.848 -7.810 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 85 4.928 -9.911 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.256 -7.008 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.724 -7.817 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.643 -8.548 -9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.105 -7.892 -8.906 1.00 0.00 H new ATOM 1277 N THR A 86 6.371 -9.135 -4.694 1.00 0.00 N ATOM 1278 CA THR A 86 7.361 -9.672 -3.717 1.00 0.00 C ATOM 1279 C THR A 86 6.861 -11.010 -3.162 1.00 0.00 C ATOM 1280 O THR A 86 7.564 -11.704 -2.456 1.00 0.00 O ATOM 1281 CB THR A 86 7.446 -8.611 -2.611 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.375 -7.608 -2.994 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.906 -9.257 -1.301 1.00 0.00 C ATOM 0 H THR A 86 5.898 -8.278 -4.407 1.00 0.00 H new ATOM 0 HA THR A 86 8.338 -9.858 -4.164 1.00 0.00 H new ATOM 0 HB THR A 86 6.462 -8.166 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.902 -6.882 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.964 -8.497 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.194 -10.027 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.889 -9.707 -1.443 1.00 0.00 H new ATOM 1291 N ALA A 87 5.649 -11.376 -3.486 1.00 0.00 N ATOM 1292 CA ALA A 87 5.096 -12.668 -2.987 1.00 0.00 C ATOM 1293 C ALA A 87 4.509 -13.473 -4.151 1.00 0.00 C ATOM 1294 O ALA A 87 3.639 -14.300 -3.968 1.00 0.00 O ATOM 1295 CB ALA A 87 3.996 -12.275 -2.003 1.00 0.00 C ATOM 0 H ALA A 87 5.017 -10.834 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 87 5.858 -13.291 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.538 -13.174 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.425 -11.683 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.238 -11.687 -2.520 1.00 0.00 H new ATOM 1301 N GLY A 88 4.977 -13.235 -5.345 1.00 0.00 N ATOM 1302 CA GLY A 88 4.443 -13.983 -6.517 1.00 0.00 C ATOM 1303 C GLY A 88 4.903 -15.441 -6.452 1.00 0.00 C ATOM 1304 O GLY A 88 4.505 -16.264 -7.252 1.00 0.00 O ATOM 0 H GLY A 88 5.706 -12.555 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.354 -13.935 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.789 -13.523 -7.443 1.00 0.00 H new ATOM 1308 N ALA A 89 5.738 -15.769 -5.504 1.00 0.00 N ATOM 1309 CA ALA A 89 6.219 -17.175 -5.392 1.00 0.00 C ATOM 1310 C ALA A 89 6.074 -17.672 -3.952 1.00 0.00 C ATOM 1311 O ALA A 89 6.474 -18.771 -3.622 1.00 0.00 O ATOM 1312 CB ALA A 89 7.695 -17.121 -5.793 1.00 0.00 C ATOM 0 H ALA A 89 6.107 -15.126 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 89 5.648 -17.857 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.124 -18.121 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.781 -16.746 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.232 -16.457 -5.116 1.00 0.00 H new ATOM 1318 N ASP A 90 5.505 -16.872 -3.091 1.00 0.00 N ATOM 1319 CA ASP A 90 5.337 -17.296 -1.680 1.00 0.00 C ATOM 1320 C ASP A 90 3.888 -17.081 -1.244 1.00 0.00 C ATOM 1321 O ASP A 90 3.547 -16.091 -0.630 1.00 0.00 O ATOM 1322 CB ASP A 90 6.284 -16.396 -0.902 1.00 0.00 C ATOM 1323 CG ASP A 90 6.164 -16.684 0.596 1.00 0.00 C ATOM 1324 OD1 ASP A 90 5.119 -17.163 1.005 1.00 0.00 O ATOM 1325 OD2 ASP A 90 7.118 -16.420 1.309 1.00 0.00 O ATOM 0 H ASP A 90 5.150 -15.941 -3.309 1.00 0.00 H new ATOM 0 HA ASP A 90 5.557 -18.352 -1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.310 -16.561 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.050 -15.350 -1.100 1.00 0.00 H new ATOM 1330 N ALA A 91 3.040 -18.010 -1.569 1.00 0.00 N ATOM 1331 CA ALA A 91 1.598 -17.891 -1.195 1.00 0.00 C ATOM 1332 C ALA A 91 1.454 -17.301 0.211 1.00 0.00 C ATOM 1333 O ALA A 91 0.452 -16.697 0.541 1.00 0.00 O ATOM 1334 CB ALA A 91 1.061 -19.322 -1.231 1.00 0.00 C ATOM 0 H ALA A 91 3.281 -18.857 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 91 1.054 -17.231 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.003 -19.321 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.184 -19.732 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.612 -19.935 -0.518 1.00 0.00 H new ATOM 1340 N ALA A 92 2.450 -17.458 1.038 1.00 0.00 N ATOM 1341 CA ALA A 92 2.373 -16.891 2.413 1.00 0.00 C ATOM 1342 C ALA A 92 2.674 -15.400 2.348 1.00 0.00 C ATOM 1343 O ALA A 92 2.040 -14.592 2.996 1.00 0.00 O ATOM 1344 CB ALA A 92 3.446 -17.628 3.214 1.00 0.00 C ATOM 0 H ALA A 92 3.314 -17.955 0.821 1.00 0.00 H new ATOM 0 HA ALA A 92 1.390 -17.011 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.449 -17.262 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.233 -18.697 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.422 -17.451 2.763 1.00 0.00 H new ATOM 1350 N LYS A 93 3.628 -15.033 1.545 1.00 0.00 N ATOM 1351 CA LYS A 93 3.968 -13.598 1.402 1.00 0.00 C ATOM 1352 C LYS A 93 2.820 -12.886 0.690 1.00 0.00 C ATOM 1353 O LYS A 93 2.648 -11.689 0.804 1.00 0.00 O ATOM 1354 CB LYS A 93 5.226 -13.588 0.541 1.00 0.00 C ATOM 1355 CG LYS A 93 6.460 -13.478 1.436 1.00 0.00 C ATOM 1356 CD LYS A 93 7.718 -13.449 0.568 1.00 0.00 C ATOM 1357 CE LYS A 93 8.935 -13.821 1.418 1.00 0.00 C ATOM 1358 NZ LYS A 93 10.007 -12.883 0.985 1.00 0.00 N ATOM 0 H LYS A 93 4.189 -15.670 0.979 1.00 0.00 H new ATOM 0 HA LYS A 93 4.127 -13.093 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.277 -14.499 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.195 -12.751 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.403 -12.574 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.500 -14.322 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.615 -14.147 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.852 -12.457 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.722 -13.713 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.228 -14.858 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.861 -13.422 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.684 -12.346 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.226 -12.225 1.760 1.00 0.00 H new ATOM 1372 N LYS A 94 2.026 -13.620 -0.037 1.00 0.00 N ATOM 1373 CA LYS A 94 0.880 -12.989 -0.751 1.00 0.00 C ATOM 1374 C LYS A 94 -0.230 -12.649 0.247 1.00 0.00 C ATOM 1375 O LYS A 94 -0.926 -11.664 0.105 1.00 0.00 O ATOM 1376 CB LYS A 94 0.404 -14.039 -1.755 1.00 0.00 C ATOM 1377 CG LYS A 94 0.450 -13.447 -3.167 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.001 -14.502 -4.178 1.00 0.00 C ATOM 1379 CE LYS A 94 1.084 -15.571 -4.319 1.00 0.00 C ATOM 1380 NZ LYS A 94 0.396 -16.735 -4.945 1.00 0.00 N ATOM 0 H LYS A 94 2.120 -14.627 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 94 1.160 -12.060 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.036 -14.925 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.611 -14.356 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.196 -12.571 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.461 -13.114 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.935 -14.958 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.195 -14.036 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.908 -15.218 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.506 -15.836 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.076 -17.511 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.379 -17.053 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.010 -16.454 -5.869 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.394 -13.452 1.263 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.450 -13.167 2.276 1.00 0.00 C ATOM 1396 C LYS A 95 -0.958 -12.087 3.242 1.00 0.00 C ATOM 1397 O LYS A 95 -1.734 -11.420 3.897 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.668 -14.494 3.006 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.594 -14.676 4.082 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.184 -14.340 5.454 1.00 0.00 C ATOM 1401 CE LYS A 95 -0.555 -15.244 6.517 1.00 0.00 C ATOM 1402 NZ LYS A 95 -1.687 -16.050 7.052 1.00 0.00 N ATOM 0 H LYS A 95 0.157 -14.293 1.435 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.374 -12.800 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.658 -14.511 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.629 -15.321 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.226 -15.702 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.259 -14.030 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.998 -13.293 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.265 -14.476 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.216 -15.883 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.081 -14.658 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.336 -16.696 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.402 -15.415 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.115 -16.602 6.281 1.00 0.00 H new ATOM 1416 N GLU A 96 0.331 -11.912 3.326 1.00 0.00 N ATOM 1417 CA GLU A 96 0.896 -10.877 4.236 1.00 0.00 C ATOM 1418 C GLU A 96 1.132 -9.587 3.459 1.00 0.00 C ATOM 1419 O GLU A 96 0.866 -8.497 3.925 1.00 0.00 O ATOM 1420 CB GLU A 96 2.222 -11.469 4.706 1.00 0.00 C ATOM 1421 CG GLU A 96 3.214 -11.501 3.556 1.00 0.00 C ATOM 1422 CD GLU A 96 4.589 -11.913 4.088 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.635 -12.775 4.951 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.573 -11.360 3.625 1.00 0.00 O ATOM 0 H GLU A 96 1.023 -12.446 2.799 1.00 0.00 H new ATOM 0 HA GLU A 96 0.236 -10.635 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.624 -10.875 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.064 -12.477 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.881 -12.204 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.273 -10.521 3.083 1.00 0.00 H new ATOM 1431 N LEU A 97 1.636 -9.717 2.273 1.00 0.00 N ATOM 1432 CA LEU A 97 1.908 -8.522 1.427 1.00 0.00 C ATOM 1433 C LEU A 97 0.616 -8.005 0.794 1.00 0.00 C ATOM 1434 O LEU A 97 0.191 -6.897 1.051 1.00 0.00 O ATOM 1435 CB LEU A 97 2.867 -9.027 0.357 1.00 0.00 C ATOM 1436 CG LEU A 97 4.168 -9.469 1.023 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.227 -9.680 -0.046 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.637 -8.387 1.999 1.00 0.00 C ATOM 0 H LEU A 97 1.876 -10.610 1.843 1.00 0.00 H new ATOM 0 HA LEU A 97 2.323 -7.692 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.420 -9.860 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.065 -8.241 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 97 4.004 -10.399 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.159 -9.996 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.893 -10.449 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.390 -8.747 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.566 -8.703 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.805 -7.456 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.874 -8.230 2.762 1.00 0.00 H new ATOM 1450 N THR A 98 -0.011 -8.786 -0.033 1.00 0.00 N ATOM 1451 CA THR A 98 -1.269 -8.314 -0.680 1.00 0.00 C ATOM 1452 C THR A 98 -2.489 -8.684 0.157 1.00 0.00 C ATOM 1453 O THR A 98 -3.536 -8.079 0.042 1.00 0.00 O ATOM 1454 CB THR A 98 -1.319 -9.025 -2.027 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.174 -10.425 -1.827 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.185 -8.513 -2.912 1.00 0.00 C ATOM 0 H THR A 98 0.288 -9.727 -0.291 1.00 0.00 H new ATOM 0 HA THR A 98 -1.280 -7.229 -0.784 1.00 0.00 H new ATOM 0 HB THR A 98 -2.275 -8.826 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.298 -10.634 -0.878 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.219 -9.020 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.297 -7.439 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.772 -8.713 -2.430 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.371 -9.665 0.998 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.535 -10.052 1.830 1.00 0.00 C ATOM 1466 C GLY A 99 -4.146 -8.795 2.437 1.00 0.00 C ATOM 1467 O GLY A 99 -3.477 -8.009 3.072 1.00 0.00 O ATOM 0 H GLY A 99 -1.524 -10.213 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.274 -10.576 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.224 -10.738 2.618 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.411 -8.589 2.246 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.042 -7.375 2.832 1.00 0.00 C ATOM 1473 C CYS A 100 -6.321 -7.615 4.306 1.00 0.00 C ATOM 1474 O CYS A 100 -5.775 -6.968 5.166 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.366 -7.152 2.103 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.385 -8.009 0.501 1.00 0.00 S ATOM 0 H CYS A 100 -6.034 -9.198 1.716 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.387 -6.510 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.189 -7.511 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.525 -6.085 1.950 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.176 -8.541 4.605 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.491 -8.814 6.031 1.00 0.00 C ATOM 1483 C LYS A 101 -6.705 -10.029 6.529 1.00 0.00 C ATOM 1484 O LYS A 101 -6.938 -11.146 6.112 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.994 -9.092 6.063 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.742 -7.947 5.376 1.00 0.00 C ATOM 1487 CD LYS A 101 -9.967 -6.812 6.377 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.399 -6.286 6.242 1.00 0.00 C ATOM 1489 NZ LYS A 101 -12.268 -7.480 6.440 1.00 0.00 N ATOM 0 H LYS A 101 -7.671 -9.122 3.928 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.220 -7.979 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.211 -10.035 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.333 -9.195 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.169 -7.585 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.698 -8.302 4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.794 -7.169 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.254 -6.007 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.609 -5.517 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.564 -5.836 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.129 -7.201 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.528 -7.877 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.754 -8.196 6.992 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.774 -9.819 7.420 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.974 -10.962 7.944 1.00 0.00 C ATOM 1505 C GLY A 102 -3.533 -10.854 7.441 1.00 0.00 C ATOM 1506 O GLY A 102 -2.674 -11.625 7.819 1.00 0.00 O ATOM 0 H GLY A 102 -5.533 -8.906 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.990 -10.961 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.413 -11.905 7.620 1.00 0.00 H new ATOM 1510 N SER A 103 -3.262 -9.904 6.587 1.00 0.00 N ATOM 1511 CA SER A 103 -1.878 -9.749 6.059 1.00 0.00 C ATOM 1512 C SER A 103 -1.008 -8.981 7.054 1.00 0.00 C ATOM 1513 O SER A 103 -1.244 -8.993 8.246 1.00 0.00 O ATOM 1514 CB SER A 103 -2.036 -8.945 4.772 1.00 0.00 C ATOM 1515 OG SER A 103 -2.594 -7.674 5.083 1.00 0.00 O ATOM 0 H SER A 103 -3.940 -9.229 6.233 1.00 0.00 H new ATOM 0 HA SER A 103 -1.396 -10.712 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.069 -8.822 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.680 -9.478 4.073 1.00 0.00 H new ATOM 0 HG SER A 103 -3.040 -7.310 4.290 1.00 0.00 H new ATOM 1521 N LYS A 104 -0.010 -8.303 6.565 1.00 0.00 N ATOM 1522 CA LYS A 104 0.881 -7.515 7.455 1.00 0.00 C ATOM 1523 C LYS A 104 0.492 -6.051 7.360 1.00 0.00 C ATOM 1524 O LYS A 104 0.707 -5.261 8.257 1.00 0.00 O ATOM 1525 CB LYS A 104 2.271 -7.708 6.866 1.00 0.00 C ATOM 1526 CG LYS A 104 2.731 -9.150 7.089 1.00 0.00 C ATOM 1527 CD LYS A 104 3.467 -9.251 8.427 1.00 0.00 C ATOM 1528 CE LYS A 104 3.885 -10.703 8.671 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.762 -10.655 9.873 1.00 0.00 N ATOM 0 H LYS A 104 0.228 -8.261 5.574 1.00 0.00 H new ATOM 0 HA LYS A 104 0.824 -7.821 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.259 -7.481 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.973 -7.016 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.873 -9.822 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.387 -9.463 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.345 -8.605 8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.823 -8.906 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.017 -11.340 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.416 -11.111 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.089 -11.615 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.583 -10.047 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.228 -10.269 10.678 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.062 -5.698 6.243 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.465 -4.296 6.001 1.00 0.00 C ATOM 1545 C CYS A 105 -1.797 -3.986 6.694 1.00 0.00 C ATOM 1546 O CYS A 105 -2.087 -2.852 7.018 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.612 -4.235 4.485 1.00 0.00 C ATOM 1548 SG CYS A 105 0.212 -2.751 3.853 1.00 0.00 S ATOM 0 H CYS A 105 -0.256 -6.336 5.472 1.00 0.00 H new ATOM 0 HA CYS A 105 0.248 -3.569 6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.177 -5.126 4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.667 -4.221 4.212 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.610 -4.981 6.923 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.920 -4.734 7.594 1.00 0.00 C ATOM 1555 C HIS A 106 -4.014 -5.543 8.891 1.00 0.00 C ATOM 1556 O HIS A 106 -4.770 -6.488 8.990 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.971 -5.206 6.591 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.358 -4.061 5.696 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.426 -2.761 6.167 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.644 -3.992 4.349 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.729 -1.965 5.129 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.864 -2.657 3.994 1.00 0.00 N ATOM 0 H HIS A 106 -2.425 -5.953 6.675 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.054 -3.687 7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.577 -6.030 5.996 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.848 -5.583 7.117 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.273 -2.462 7.130 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.691 -4.835 3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.849 -0.894 5.203 1.00 0.00 H new ATOM 1570 N SER A 107 -3.251 -5.179 9.885 1.00 0.00 N ATOM 1571 CA SER A 107 -3.298 -5.927 11.173 1.00 0.00 C ATOM 1572 C SER A 107 -4.739 -6.006 11.686 1.00 0.00 C ATOM 1573 O SER A 107 -5.596 -5.381 11.083 1.00 0.00 O ATOM 1574 CB SER A 107 -2.430 -5.118 12.133 1.00 0.00 C ATOM 1575 OG SER A 107 -1.919 -5.978 13.144 1.00 0.00 O ATOM 1576 OXT SER A 107 -4.960 -6.689 12.672 1.00 0.00 O ATOM 0 H SER A 107 -2.597 -4.396 9.861 1.00 0.00 H new ATOM 0 HA SER A 107 -2.942 -6.952 11.069 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.610 -4.648 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.016 -4.316 12.583 1.00 0.00 H new ATOM 0 HG SER A 107 -1.360 -5.461 13.761 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.224 6.572 3.377 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.707 8.093 5.037 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.374 8.893 4.571 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.752 5.074 1.718 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.084 4.254 2.259 1.00 0.00 C HETATM 1588 NA HEC A 201 9.066 8.146 4.493 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.944 8.621 5.131 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.226 9.694 6.020 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.532 9.920 5.934 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.058 8.990 4.947 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.247 10.837 6.901 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.245 10.390 6.950 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.652 11.624 6.273 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.405 12.874 6.734 1.00 0.00 C HETATM 1597 O1A HEC A 201 8.072 12.796 7.753 1.00 0.00 O HETATM 1598 O2A HEC A 201 7.302 13.885 6.061 1.00 0.00 O HETATM 1599 NB HEC A 201 11.122 6.906 3.185 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.877 7.908 3.756 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.271 7.794 3.392 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.369 6.736 2.566 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.042 6.190 2.449 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.416 8.669 3.876 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.622 6.215 1.879 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.678 5.700 2.858 1.00 0.00 C HETATM 1607 NC HEC A 201 9.395 4.992 2.272 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.518 4.504 1.644 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.224 3.357 0.830 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.905 3.153 0.956 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.398 4.150 1.865 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.202 2.553 -0.010 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.078 2.129 0.212 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.685 0.725 0.242 1.00 0.00 C HETATM 1615 ND HEC A 201 7.328 6.250 3.598 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.584 5.211 3.109 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.219 5.278 3.600 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.121 6.418 4.304 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.420 6.988 4.316 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.149 4.215 3.505 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.911 7.034 4.987 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.228 6.011 5.893 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.261 6.728 6.836 1.00 0.00 C HETATM 1624 O1D HEC A 201 1.812 6.102 7.781 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.986 7.893 6.597 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.956 3.985 2.457 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.485 3.314 4.018 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.233 4.578 3.971 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.661 3.202 -0.756 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.977 2.136 0.633 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.671 1.743 -0.511 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.228 9.704 3.593 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.494 8.598 4.961 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.348 8.332 3.422 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.820 11.838 6.836 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.130 10.458 7.916 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.307 10.877 6.648 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.690 5.279 5.291 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 3.975 5.464 6.468 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.673 0.746 -0.218 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.773 0.388 1.275 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 8.042 0.039 -0.310 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.981 6.508 3.525 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.261 4.882 3.445 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.546 5.343 2.303 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.720 11.525 5.190 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.594 11.713 6.519 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.219 7.900 5.574 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.206 7.392 4.237 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.447 9.701 7.228 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.751 10.680 7.871 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.383 3.518 1.865 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.562 4.609 1.157 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.067 9.648 4.944 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.895 8.585 5.572 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.936 8.497 -5.391 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.750 8.077 -8.506 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.891 5.172 -5.012 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.150 8.835 -2.283 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.752 11.834 -5.765 1.00 0.00 C HETATM 1663 NA HEC A 202 2.430 7.001 -6.480 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.820 7.014 -7.692 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.237 5.761 -8.001 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.609 4.911 -7.053 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.377 5.683 -6.136 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.237 3.450 -6.938 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.339 5.473 -9.166 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.765 6.515 -9.341 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.595 6.173 -10.579 1.00 0.00 C HETATM 1672 O1A HEC A 202 -1.494 5.050 -11.046 1.00 0.00 O HETATM 1673 O2A HEC A 202 -2.319 7.040 -11.041 1.00 0.00 O HETATM 1674 NB HEC A 202 3.482 7.284 -4.014 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.433 5.910 -4.027 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.845 5.324 -2.795 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.125 6.343 -1.985 1.00 0.00 C HETATM 1678 C4B HEC A 202 3.935 7.565 -2.748 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.949 3.841 -2.478 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.504 6.157 -0.537 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.019 6.083 -0.354 1.00 0.00 C HETATM 1682 NC HEC A 202 3.389 10.005 -4.279 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.914 9.981 -3.007 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.084 11.307 -2.490 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.606 12.146 -3.429 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.216 11.340 -4.560 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.685 11.689 -1.146 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.360 13.620 -3.231 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.659 14.392 -2.971 1.00 0.00 C HETATM 1690 ND HEC A 202 2.383 9.686 -6.822 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.382 11.061 -6.847 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.118 11.547 -8.196 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.965 10.454 -8.970 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.053 9.337 -8.106 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.049 12.978 -8.691 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.917 10.319 -10.481 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.179 10.900 -11.115 1.00 0.00 C HETATM 1698 CGD HEC A 202 2.882 12.297 -11.663 1.00 0.00 C HETATM 1699 O1D HEC A 202 3.765 13.137 -11.599 1.00 0.00 O HETATM 1700 O2D HEC A 202 1.777 12.504 -12.135 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.261 13.510 -8.158 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 3.005 13.471 -8.513 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.832 12.983 -9.759 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.097 11.242 -0.344 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.711 11.326 -1.090 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.678 12.774 -1.039 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.971 3.375 -2.595 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.658 3.372 -3.160 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.293 3.712 -1.452 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.154 3.355 -6.863 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.588 2.915 -7.820 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.701 3.025 -6.048 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.979 10.951 -10.376 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 3.527 10.250 -11.918 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 5.139 14.005 -2.072 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.330 14.272 -3.821 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.433 15.449 -2.834 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.413 5.241 -0.922 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.474 7.007 -0.711 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.252 5.949 0.702 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.402 6.537 -8.457 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.329 7.509 -9.445 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.817 9.269 -10.754 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.039 10.834 -10.869 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 0.937 5.429 -10.076 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.114 4.490 -9.034 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.672 12.916 -5.868 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.535 8.946 -1.269 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.869 4.089 -4.886 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.435 7.921 -9.538 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.856 -3.488 2.048 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.747 -6.083 4.015 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.653 -2.453 4.366 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.081 -0.802 0.155 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.166 -4.430 -0.236 1.00 0.00 C HETATM 1738 NA HEC A 203 5.313 -4.130 3.805 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.763 -5.240 4.483 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.036 -5.415 5.722 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.161 -4.403 5.807 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.343 -3.606 4.626 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.158 -4.178 6.926 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.158 -6.536 6.735 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.611 -6.989 6.888 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.883 -7.350 8.349 1.00 0.00 C HETATM 1747 O1A HEC A 203 7.246 -8.488 8.599 1.00 0.00 O HETATM 1748 O2A HEC A 203 6.724 -6.484 9.193 1.00 0.00 O HETATM 1749 NB HEC A 203 4.693 -1.939 2.254 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.844 -1.655 3.289 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.121 -0.430 3.081 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.506 0.014 1.881 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.490 -0.906 1.383 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.111 0.209 4.017 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.881 1.123 1.078 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.634 2.454 1.161 1.00 0.00 C HETATM 1757 NC HEC A 203 6.459 -2.793 0.335 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.008 -1.681 -0.338 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.650 -1.538 -1.620 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.509 -2.567 -1.725 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.405 -3.326 -0.510 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.415 -0.438 -2.643 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.397 -2.880 -2.910 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.958 -1.592 -3.512 1.00 0.00 C HETATM 1765 ND HEC A 203 7.135 -4.960 1.898 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.052 -5.193 0.896 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.896 -6.322 1.205 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.466 -6.810 2.378 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.385 -5.957 2.810 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.092 -6.831 0.423 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.024 -8.030 3.089 1.00 0.00 C HETATM 1772 CBD HEC A 203 9.132 -9.224 2.137 1.00 0.00 C HETATM 1773 CGD HEC A 203 10.592 -9.666 2.032 1.00 0.00 C HETATM 1774 O1D HEC A 203 11.008 -10.471 2.850 1.00 0.00 O HETATM 1775 O2D HEC A 203 11.272 -9.191 1.137 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.778 -7.108 -0.583 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.848 -6.048 0.364 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.511 -7.703 0.925 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.370 -0.446 -2.952 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.655 0.528 -2.200 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.051 -0.607 -3.512 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.279 -0.477 4.178 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.589 0.430 4.971 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.739 1.133 3.575 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.484 -5.032 6.987 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.688 -4.065 7.872 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.582 -3.275 6.723 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 8.517 -10.048 2.500 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 8.752 -8.952 1.152 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.136 -0.957 -3.843 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.544 -1.064 -2.760 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.594 -1.835 -4.363 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.668 2.788 2.198 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.650 2.321 0.789 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.120 3.201 0.556 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.804 -7.850 6.248 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.286 -6.196 6.567 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.007 -7.798 3.498 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.382 -8.289 3.931 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.775 -6.201 7.699 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.542 -7.380 6.423 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.916 -4.723 -0.971 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.794 0.039 -0.476 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.889 -2.153 5.083 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.041 -6.916 4.654 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.783 -1.735 2.058 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.494 1.264 3.443 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.978 -2.070 1.147 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.065 -4.832 0.949 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.499 -1.147 2.506 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.393 -0.721 2.384 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.532 0.491 3.019 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.869 1.002 2.919 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.560 0.112 2.178 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.647 -0.967 1.886 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.973 0.263 1.637 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.363 2.317 3.500 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.116 3.116 2.438 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.762 4.343 3.085 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.362 5.445 2.750 1.00 0.00 O HETATM 1823 O2A HEC A 204 -11.648 4.158 3.904 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.800 -3.142 1.245 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.117 -3.100 0.844 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.470 -4.272 0.077 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.362 -5.037 0.062 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.344 -4.349 0.787 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.816 -4.589 -0.551 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.190 -6.456 -0.407 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.743 -6.496 -1.863 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.158 -2.746 1.752 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.034 -4.071 1.408 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.678 -4.543 1.547 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.967 -3.465 1.907 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.871 -2.364 2.009 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.182 -5.978 1.441 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.526 -3.395 2.336 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.448 -3.376 1.156 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.737 -0.263 2.758 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.369 -0.156 2.850 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.966 1.100 3.431 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.101 1.767 3.690 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.184 0.919 3.296 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.548 1.566 3.719 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.234 3.167 4.248 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.836 3.202 5.722 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.598 4.324 6.427 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.217 5.471 6.257 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.550 4.020 7.127 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.072 0.874 4.414 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -0.979 1.596 2.790 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.575 2.562 4.160 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.671 -6.589 2.200 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.416 -6.372 0.452 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.103 -6.002 1.595 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.578 -4.636 0.227 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.076 -3.810 -1.267 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.761 -5.549 -1.064 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.668 0.397 2.466 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.020 1.132 0.980 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.245 -0.631 1.076 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.059 2.245 6.193 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.762 3.362 5.816 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.322 -4.284 0.566 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.246 -2.506 0.531 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.471 -3.325 1.529 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.492 -6.009 -2.487 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.791 -5.975 -1.966 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.625 -7.532 -2.179 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.432 3.426 1.648 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.879 2.493 1.972 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.604 3.851 3.680 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.262 3.512 4.136 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.016 2.124 4.351 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.519 2.898 3.872 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.434 -0.956 2.636 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.868 -5.874 0.698 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.999 -2.138 0.771 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.724 2.213 3.928 1.00 0.00 H new