USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 908 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 74 THR OG1 : rot 99:sc= 0.64 USER MOD Set 1.2: A 78 SER OG : rot 153:sc= 0.336! USER MOD Set 2.1: A 11 MET CE :methyl -126:sc= -10.6! (180deg=-6.26!) USER MOD Set 2.2: A 65 TYR OH : rot -106:sc= -2.44! USER MOD Set 2.3: A 69 MET CE :methyl -167:sc= -1.1 (180deg=-1.55) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.00981 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 47:sc= -4.35! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00727 K(o=-0.0073,f=-0.8) USER MOD Single : A 21 ASN : amide:sc= -7.22! C(o=-7.2!,f=-5.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 160:sc= -1.8! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.56) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 20:sc= 0.204 USER MOD Single : A 44 GLN : amide:sc= -8.26! C(o=-8.3!,f=-16!) USER MOD Single : A 48 THR OG1 : rot -52:sc= -0.0702 USER MOD Single : A 54 ASN : amide:sc= -13.5! C(o=-13!,f=-14!) USER MOD Single : A 55 MET CE :methyl 146:sc= -5.55! (180deg=-6.77!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 0.625 (180deg=0.135) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -30:sc= -0.736 USER MOD Single : A 67 HIS : no HE2:sc= -17.1! C(o=-17!,f=-29!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.134 (180deg=-0.553) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0.543 (180deg=0.0706!) USER MOD Single : A 86 THR OG1 : rot 94:sc= 0.84 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= 0.00283 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 5:sc= 0.285 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -128:sc= 0.725 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0904 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.502 14.329 1.762 1.00 0.00 N ATOM 2 CA ALA A 1 19.904 12.967 1.859 1.00 0.00 C ATOM 3 C ALA A 1 18.780 12.955 2.898 1.00 0.00 C ATOM 4 O ALA A 1 18.906 13.538 3.957 1.00 0.00 O ATOM 5 CB ALA A 1 21.052 12.060 2.301 1.00 0.00 C ATOM 0 H1 ALA A 1 21.539 14.253 1.748 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.177 14.789 0.888 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.208 14.897 2.582 1.00 0.00 H new ATOM 0 HA ALA A 1 19.467 12.640 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.691 11.036 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.850 12.096 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.435 12.400 3.263 1.00 0.00 H new ATOM 13 N PRO A 2 17.715 12.285 2.556 1.00 0.00 N ATOM 14 CA PRO A 2 16.547 12.187 3.467 1.00 0.00 C ATOM 15 C PRO A 2 16.853 11.257 4.640 1.00 0.00 C ATOM 16 O PRO A 2 17.561 10.279 4.501 1.00 0.00 O ATOM 17 CB PRO A 2 15.454 11.590 2.587 1.00 0.00 C ATOM 18 CG PRO A 2 16.183 10.855 1.507 1.00 0.00 C ATOM 19 CD PRO A 2 17.498 11.562 1.299 1.00 0.00 C ATOM 0 HA PRO A 2 16.269 13.147 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.812 10.919 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.813 12.368 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.345 9.815 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.600 10.847 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.304 10.855 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.455 12.243 0.449 1.00 0.00 H new ATOM 27 N LYS A 3 16.315 11.545 5.791 1.00 0.00 N ATOM 28 CA LYS A 3 16.567 10.666 6.963 1.00 0.00 C ATOM 29 C LYS A 3 15.335 9.814 7.248 1.00 0.00 C ATOM 30 O LYS A 3 14.482 10.170 8.037 1.00 0.00 O ATOM 31 CB LYS A 3 16.831 11.598 8.131 1.00 0.00 C ATOM 32 CG LYS A 3 17.930 12.596 7.760 1.00 0.00 C ATOM 33 CD LYS A 3 18.583 13.133 9.036 1.00 0.00 C ATOM 34 CE LYS A 3 20.026 12.630 9.120 1.00 0.00 C ATOM 35 NZ LYS A 3 20.628 13.380 10.257 1.00 0.00 N ATOM 0 H LYS A 3 15.713 12.349 5.970 1.00 0.00 H new ATOM 0 HA LYS A 3 17.405 9.991 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.918 12.131 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.130 11.022 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.678 12.113 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.509 13.418 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.566 14.223 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.021 12.806 9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.060 11.555 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 3 20.565 12.820 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 21.619 13.090 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.588 14.400 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.098 13.174 11.128 1.00 0.00 H new ATOM 49 N ALA A 4 15.244 8.695 6.606 1.00 0.00 N ATOM 50 CA ALA A 4 14.074 7.795 6.820 1.00 0.00 C ATOM 51 C ALA A 4 13.697 7.768 8.303 1.00 0.00 C ATOM 52 O ALA A 4 14.555 7.709 9.162 1.00 0.00 O ATOM 53 CB ALA A 4 14.543 6.415 6.359 1.00 0.00 C ATOM 0 H ALA A 4 15.932 8.355 5.934 1.00 0.00 H new ATOM 0 HA ALA A 4 13.191 8.126 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.735 5.695 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.828 6.460 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.402 6.105 6.954 1.00 0.00 H new ATOM 59 N PRO A 5 12.417 7.819 8.553 1.00 0.00 N ATOM 60 CA PRO A 5 11.914 7.805 9.942 1.00 0.00 C ATOM 61 C PRO A 5 11.974 6.395 10.529 1.00 0.00 C ATOM 62 O PRO A 5 12.110 5.418 9.821 1.00 0.00 O ATOM 63 CB PRO A 5 10.478 8.300 9.812 1.00 0.00 C ATOM 64 CG PRO A 5 10.073 8.006 8.397 1.00 0.00 C ATOM 65 CD PRO A 5 11.334 7.889 7.570 1.00 0.00 C ATOM 0 HA PRO A 5 12.505 8.424 10.617 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.823 7.792 10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.411 9.367 10.025 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.497 7.082 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.434 8.800 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.313 7.000 6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.455 8.747 6.908 1.00 0.00 H new ATOM 73 N ALA A 6 11.883 6.290 11.824 1.00 0.00 N ATOM 74 CA ALA A 6 11.946 4.958 12.476 1.00 0.00 C ATOM 75 C ALA A 6 10.796 4.075 11.999 1.00 0.00 C ATOM 76 O ALA A 6 9.716 4.541 11.696 1.00 0.00 O ATOM 77 CB ALA A 6 11.817 5.241 13.972 1.00 0.00 C ATOM 0 H ALA A 6 11.767 7.077 12.462 1.00 0.00 H new ATOM 0 HA ALA A 6 12.869 4.429 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.855 4.302 14.524 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.637 5.884 14.293 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.867 5.739 14.168 1.00 0.00 H new ATOM 83 N ASP A 7 11.028 2.799 11.940 1.00 0.00 N ATOM 84 CA ASP A 7 9.967 1.861 11.497 1.00 0.00 C ATOM 85 C ASP A 7 8.756 1.994 12.416 1.00 0.00 C ATOM 86 O ASP A 7 8.848 2.500 13.517 1.00 0.00 O ATOM 87 CB ASP A 7 10.586 0.469 11.630 1.00 0.00 C ATOM 88 CG ASP A 7 12.009 0.483 11.068 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.197 1.040 9.999 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.886 -0.066 11.715 1.00 0.00 O ATOM 0 H ASP A 7 11.917 2.361 12.182 1.00 0.00 H new ATOM 0 HA ASP A 7 9.631 2.058 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.601 0.165 12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.980 -0.262 11.095 1.00 0.00 H new ATOM 95 N GLY A 8 7.627 1.539 11.974 1.00 0.00 N ATOM 96 CA GLY A 8 6.403 1.627 12.814 1.00 0.00 C ATOM 97 C GLY A 8 5.565 2.837 12.395 1.00 0.00 C ATOM 98 O GLY A 8 4.723 3.302 13.138 1.00 0.00 O ATOM 0 H GLY A 8 7.494 1.106 11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.816 0.715 12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.679 1.712 13.865 1.00 0.00 H new ATOM 102 N LEU A 9 5.774 3.345 11.212 1.00 0.00 N ATOM 103 CA LEU A 9 4.967 4.515 10.765 1.00 0.00 C ATOM 104 C LEU A 9 3.513 4.094 10.629 1.00 0.00 C ATOM 105 O LEU A 9 3.193 3.167 9.918 1.00 0.00 O ATOM 106 CB LEU A 9 5.531 4.922 9.408 1.00 0.00 C ATOM 107 CG LEU A 9 5.848 6.414 9.431 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.135 6.665 8.646 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.702 7.202 8.791 1.00 0.00 C ATOM 0 H LEU A 9 6.462 3.004 10.541 1.00 0.00 H new ATOM 0 HA LEU A 9 5.014 5.343 11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.431 4.349 9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.811 4.702 8.619 1.00 0.00 H new ATOM 0 HG LEU A 9 5.973 6.740 10.464 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.367 7.730 8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.954 6.110 9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.003 6.335 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.936 8.266 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.571 6.879 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.782 7.022 9.347 1.00 0.00 H new ATOM 121 N LYS A 10 2.631 4.751 11.313 1.00 0.00 N ATOM 122 CA LYS A 10 1.200 4.354 11.224 1.00 0.00 C ATOM 123 C LYS A 10 0.466 5.162 10.156 1.00 0.00 C ATOM 124 O LYS A 10 0.265 6.354 10.284 1.00 0.00 O ATOM 125 CB LYS A 10 0.612 4.637 12.600 1.00 0.00 C ATOM 126 CG LYS A 10 0.464 3.322 13.368 1.00 0.00 C ATOM 127 CD LYS A 10 -0.630 3.468 14.426 1.00 0.00 C ATOM 128 CE LYS A 10 -0.238 2.683 15.679 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.637 3.554 16.819 1.00 0.00 N ATOM 0 H LYS A 10 2.832 5.541 11.927 1.00 0.00 H new ATOM 0 HA LYS A 10 1.098 3.306 10.942 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.258 5.322 13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.358 5.124 12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.214 2.514 12.681 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.409 3.057 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.773 4.520 14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.579 3.100 14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.750 1.721 15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.832 2.475 15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.400 3.083 17.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.129 4.459 16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.661 3.729 16.780 1.00 0.00 H new ATOM 143 N MET A 11 0.040 4.506 9.117 1.00 0.00 N ATOM 144 CA MET A 11 -0.715 5.204 8.043 1.00 0.00 C ATOM 145 C MET A 11 -2.192 5.211 8.417 1.00 0.00 C ATOM 146 O MET A 11 -2.898 4.256 8.179 1.00 0.00 O ATOM 147 CB MET A 11 -0.487 4.372 6.780 1.00 0.00 C ATOM 148 CG MET A 11 0.653 4.977 5.965 1.00 0.00 C ATOM 149 SD MET A 11 0.707 4.201 4.331 1.00 0.00 S ATOM 150 CE MET A 11 0.977 5.710 3.370 1.00 0.00 C ATOM 0 H MET A 11 0.183 3.508 8.964 1.00 0.00 H new ATOM 0 HA MET A 11 -0.395 6.236 7.898 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.249 3.343 7.049 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.398 4.343 6.183 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.510 6.053 5.864 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.602 4.829 6.481 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.216 5.788 2.593 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.914 6.577 4.028 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.964 5.676 2.909 1.00 0.00 H new ATOM 160 N ASP A 12 -2.659 6.263 9.022 1.00 0.00 N ATOM 161 CA ASP A 12 -4.096 6.301 9.428 1.00 0.00 C ATOM 162 C ASP A 12 -4.881 7.271 8.554 1.00 0.00 C ATOM 163 O ASP A 12 -5.950 7.725 8.911 1.00 0.00 O ATOM 164 CB ASP A 12 -4.088 6.773 10.878 1.00 0.00 C ATOM 165 CG ASP A 12 -3.054 7.886 11.059 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.330 8.998 10.640 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.004 7.607 11.613 1.00 0.00 O ATOM 0 H ASP A 12 -2.116 7.095 9.254 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.574 5.328 9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.077 7.135 11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.856 5.938 11.540 1.00 0.00 H new ATOM 172 N LYS A 13 -4.361 7.587 7.411 1.00 0.00 N ATOM 173 CA LYS A 13 -5.072 8.522 6.500 1.00 0.00 C ATOM 174 C LYS A 13 -6.502 8.035 6.252 1.00 0.00 C ATOM 175 O LYS A 13 -7.402 8.816 6.013 1.00 0.00 O ATOM 176 CB LYS A 13 -4.259 8.481 5.213 1.00 0.00 C ATOM 177 CG LYS A 13 -3.031 9.378 5.365 1.00 0.00 C ATOM 178 CD LYS A 13 -3.479 10.816 5.633 1.00 0.00 C ATOM 179 CE LYS A 13 -2.292 11.765 5.446 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.443 12.784 6.521 1.00 0.00 N ATOM 0 H LYS A 13 -3.468 7.238 7.062 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.153 9.530 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.952 7.458 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.868 8.817 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.407 9.022 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.424 9.338 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.287 11.089 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.871 10.903 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.344 11.234 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.307 12.227 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.665 13.472 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.351 13.277 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.418 12.316 7.449 1.00 0.00 H new ATOM 194 N THR A 14 -6.714 6.751 6.307 1.00 0.00 N ATOM 195 CA THR A 14 -8.090 6.210 6.073 1.00 0.00 C ATOM 196 C THR A 14 -8.629 5.538 7.340 1.00 0.00 C ATOM 197 O THR A 14 -8.044 5.626 8.400 1.00 0.00 O ATOM 198 CB THR A 14 -7.935 5.179 4.953 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.828 4.336 5.236 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.707 5.895 3.622 1.00 0.00 C ATOM 0 H THR A 14 -5.999 6.050 6.503 1.00 0.00 H new ATOM 0 HA THR A 14 -8.793 7.000 5.809 1.00 0.00 H new ATOM 0 HB THR A 14 -8.842 4.578 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.878 4.031 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.597 5.158 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.559 6.539 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.802 6.499 3.684 1.00 0.00 H new ATOM 208 N LYS A 15 -9.742 4.863 7.230 1.00 0.00 N ATOM 209 CA LYS A 15 -10.325 4.178 8.420 1.00 0.00 C ATOM 210 C LYS A 15 -9.483 2.953 8.776 1.00 0.00 C ATOM 211 O LYS A 15 -9.437 2.526 9.913 1.00 0.00 O ATOM 212 CB LYS A 15 -11.729 3.756 7.985 1.00 0.00 C ATOM 213 CG LYS A 15 -12.732 4.847 8.364 1.00 0.00 C ATOM 214 CD LYS A 15 -13.209 5.564 7.099 1.00 0.00 C ATOM 215 CE LYS A 15 -14.229 6.641 7.476 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.373 6.426 6.547 1.00 0.00 N ATOM 0 H LYS A 15 -10.273 4.756 6.366 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.349 4.819 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.751 3.585 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.002 2.815 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.581 4.409 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.269 5.560 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.362 6.015 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.658 4.848 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.541 6.543 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.809 7.640 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.116 7.127 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.047 6.532 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.756 5.469 6.684 1.00 0.00 H new ATOM 230 N GLN A 16 -8.811 2.392 7.810 1.00 0.00 N ATOM 231 CA GLN A 16 -7.959 1.200 8.084 1.00 0.00 C ATOM 232 C GLN A 16 -6.491 1.628 8.143 1.00 0.00 C ATOM 233 O GLN A 16 -5.783 1.546 7.162 1.00 0.00 O ATOM 234 CB GLN A 16 -8.200 0.258 6.904 1.00 0.00 C ATOM 235 CG GLN A 16 -9.370 -0.674 7.225 1.00 0.00 C ATOM 236 CD GLN A 16 -10.129 -1.002 5.939 1.00 0.00 C ATOM 237 OE1 GLN A 16 -11.169 -0.434 5.671 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.651 -1.903 5.124 1.00 0.00 N ATOM 0 H GLN A 16 -8.815 2.708 6.840 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.197 0.720 9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.416 0.834 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.302 -0.325 6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.003 -1.590 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.039 -0.201 7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.778 -2.381 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.151 -2.129 4.264 1.00 0.00 H new ATOM 247 N PRO A 17 -6.092 2.084 9.298 1.00 0.00 N ATOM 248 CA PRO A 17 -4.698 2.553 9.499 1.00 0.00 C ATOM 249 C PRO A 17 -3.701 1.395 9.385 1.00 0.00 C ATOM 250 O PRO A 17 -3.915 0.319 9.907 1.00 0.00 O ATOM 251 CB PRO A 17 -4.716 3.131 10.914 1.00 0.00 C ATOM 252 CG PRO A 17 -5.856 2.441 11.587 1.00 0.00 C ATOM 253 CD PRO A 17 -6.891 2.203 10.522 1.00 0.00 C ATOM 0 HA PRO A 17 -4.384 3.279 8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.776 2.941 11.432 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.859 4.211 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.533 1.500 12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.261 3.053 12.393 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.468 1.298 10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.602 3.027 10.460 1.00 0.00 H new ATOM 261 N VAL A 18 -2.611 1.615 8.697 1.00 0.00 N ATOM 262 CA VAL A 18 -1.593 0.545 8.533 1.00 0.00 C ATOM 263 C VAL A 18 -0.217 1.057 8.970 1.00 0.00 C ATOM 264 O VAL A 18 0.177 2.158 8.644 1.00 0.00 O ATOM 265 CB VAL A 18 -1.599 0.244 7.039 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.347 -0.550 6.680 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.845 -0.571 6.686 1.00 0.00 C ATOM 0 H VAL A 18 -2.384 2.498 8.240 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.809 -0.338 9.135 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.610 1.178 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.348 -0.767 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.539 0.034 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.336 -1.485 7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.849 -0.786 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.838 -1.507 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.738 -0.001 6.945 1.00 0.00 H new ATOM 277 N VAL A 19 0.517 0.270 9.704 1.00 0.00 N ATOM 278 CA VAL A 19 1.865 0.719 10.157 1.00 0.00 C ATOM 279 C VAL A 19 2.933 0.357 9.116 1.00 0.00 C ATOM 280 O VAL A 19 3.132 -0.798 8.798 1.00 0.00 O ATOM 281 CB VAL A 19 2.111 -0.042 11.459 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.525 0.251 11.963 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.094 0.403 12.510 1.00 0.00 C ATOM 0 H VAL A 19 0.244 -0.664 10.010 1.00 0.00 H new ATOM 0 HA VAL A 19 1.914 1.799 10.293 1.00 0.00 H new ATOM 0 HB VAL A 19 2.004 -1.112 11.279 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.700 -0.292 12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.251 -0.067 11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.633 1.321 12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.269 -0.140 13.439 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.201 1.473 12.689 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.086 0.194 12.152 1.00 0.00 H new ATOM 293 N PHE A 20 3.633 1.332 8.593 1.00 0.00 N ATOM 294 CA PHE A 20 4.694 1.026 7.588 1.00 0.00 C ATOM 295 C PHE A 20 6.057 0.958 8.275 1.00 0.00 C ATOM 296 O PHE A 20 6.471 1.885 8.942 1.00 0.00 O ATOM 297 CB PHE A 20 4.678 2.181 6.583 1.00 0.00 C ATOM 298 CG PHE A 20 5.758 1.944 5.551 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.692 0.820 4.720 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.829 2.840 5.427 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.693 0.594 3.767 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.827 2.612 4.475 1.00 0.00 C ATOM 303 CZ PHE A 20 7.760 1.490 3.645 1.00 0.00 C ATOM 0 H PHE A 20 3.516 2.320 8.817 1.00 0.00 H new ATOM 0 HA PHE A 20 4.515 0.068 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.703 2.248 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.846 3.129 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.869 0.127 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.883 3.708 6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.641 -0.273 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.651 3.304 4.381 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.532 1.315 2.910 1.00 0.00 H new ATOM 313 N ASN A 21 6.758 -0.126 8.118 1.00 0.00 N ATOM 314 CA ASN A 21 8.088 -0.245 8.759 1.00 0.00 C ATOM 315 C ASN A 21 9.188 -0.045 7.716 1.00 0.00 C ATOM 316 O ASN A 21 9.537 -0.953 6.988 1.00 0.00 O ATOM 317 CB ASN A 21 8.117 -1.668 9.301 1.00 0.00 C ATOM 318 CG ASN A 21 8.255 -1.642 10.823 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.185 -2.201 11.371 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.362 -1.012 11.537 1.00 0.00 N ATOM 0 H ASN A 21 6.465 -0.936 7.572 1.00 0.00 H new ATOM 0 HA ASN A 21 8.252 0.498 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.204 -2.193 9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.949 -2.217 8.861 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.445 -0.989 12.553 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.581 -0.542 11.079 1.00 0.00 H new ATOM 327 N HIS A 22 9.738 1.135 7.635 1.00 0.00 N ATOM 328 CA HIS A 22 10.814 1.377 6.635 1.00 0.00 C ATOM 329 C HIS A 22 11.860 0.268 6.735 1.00 0.00 C ATOM 330 O HIS A 22 12.445 -0.140 5.751 1.00 0.00 O ATOM 331 CB HIS A 22 11.426 2.722 7.020 1.00 0.00 C ATOM 332 CG HIS A 22 10.628 3.849 6.419 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.817 4.666 7.190 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.542 4.338 5.135 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.293 5.601 6.379 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.704 5.450 5.119 1.00 0.00 N ATOM 0 H HIS A 22 9.491 1.937 8.214 1.00 0.00 H new ATOM 0 HA HIS A 22 10.439 1.385 5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.449 2.822 8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.458 2.773 6.673 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.648 4.574 8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.046 3.924 4.274 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.621 6.380 6.708 1.00 0.00 H new ATOM 344 N SER A 23 12.094 -0.232 7.920 1.00 0.00 N ATOM 345 CA SER A 23 13.096 -1.323 8.088 1.00 0.00 C ATOM 346 C SER A 23 12.829 -2.426 7.063 1.00 0.00 C ATOM 347 O SER A 23 13.736 -2.946 6.444 1.00 0.00 O ATOM 348 CB SER A 23 12.880 -1.845 9.508 1.00 0.00 C ATOM 349 OG SER A 23 13.117 -3.246 9.533 1.00 0.00 O ATOM 0 H SER A 23 11.633 0.069 8.779 1.00 0.00 H new ATOM 0 HA SER A 23 14.120 -0.980 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.552 -1.338 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.863 -1.630 9.836 1.00 0.00 H new ATOM 0 HG SER A 23 12.981 -3.585 10.443 1.00 0.00 H new ATOM 355 N THR A 24 11.588 -2.775 6.872 1.00 0.00 N ATOM 356 CA THR A 24 11.256 -3.834 5.878 1.00 0.00 C ATOM 357 C THR A 24 11.327 -3.251 4.466 1.00 0.00 C ATOM 358 O THR A 24 11.087 -3.932 3.489 1.00 0.00 O ATOM 359 CB THR A 24 9.826 -4.265 6.210 1.00 0.00 C ATOM 360 OG1 THR A 24 9.429 -3.676 7.441 1.00 0.00 O ATOM 361 CG2 THR A 24 9.765 -5.789 6.327 1.00 0.00 C ATOM 0 H THR A 24 10.788 -2.373 7.361 1.00 0.00 H new ATOM 0 HA THR A 24 11.947 -4.676 5.919 1.00 0.00 H new ATOM 0 HB THR A 24 9.154 -3.937 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.451 -3.674 7.502 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.746 -6.095 6.564 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.069 -6.239 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.437 -6.120 7.119 1.00 0.00 H new ATOM 369 N HIS A 25 11.641 -1.990 4.355 1.00 0.00 N ATOM 370 CA HIS A 25 11.713 -1.354 3.020 1.00 0.00 C ATOM 371 C HIS A 25 13.075 -0.690 2.807 1.00 0.00 C ATOM 372 O HIS A 25 13.407 -0.276 1.715 1.00 0.00 O ATOM 373 CB HIS A 25 10.589 -0.328 3.057 1.00 0.00 C ATOM 374 CG HIS A 25 9.299 -1.057 3.290 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.814 -1.309 4.564 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.402 -1.630 2.427 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.674 -2.009 4.432 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.380 -2.233 3.150 1.00 0.00 N ATOM 0 H HIS A 25 11.851 -1.373 5.140 1.00 0.00 H new ATOM 0 HA HIS A 25 11.605 -2.062 2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.764 0.399 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.549 0.226 2.119 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.244 -1.017 5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.478 -1.615 1.350 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.071 -2.348 5.261 1.00 0.00 H new ATOM 386 N LYS A 26 13.875 -0.595 3.834 1.00 0.00 N ATOM 387 CA LYS A 26 15.217 0.030 3.665 1.00 0.00 C ATOM 388 C LYS A 26 15.924 -0.602 2.466 1.00 0.00 C ATOM 389 O LYS A 26 16.723 0.025 1.797 1.00 0.00 O ATOM 390 CB LYS A 26 15.973 -0.280 4.957 1.00 0.00 C ATOM 391 CG LYS A 26 15.227 0.331 6.144 1.00 0.00 C ATOM 392 CD LYS A 26 16.146 0.362 7.366 1.00 0.00 C ATOM 393 CE LYS A 26 16.718 -1.037 7.609 1.00 0.00 C ATOM 394 NZ LYS A 26 17.710 -0.859 8.707 1.00 0.00 N ATOM 0 H LYS A 26 13.659 -0.921 4.776 1.00 0.00 H new ATOM 0 HA LYS A 26 15.159 1.103 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.065 -1.358 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.985 0.122 4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.897 1.341 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.333 -0.252 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.955 1.075 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.592 0.698 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.935 -1.740 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.190 -1.433 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.147 -1.776 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.446 -0.189 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.230 -0.488 9.552 1.00 0.00 H new ATOM 408 N ALA A 27 15.628 -1.843 2.187 1.00 0.00 N ATOM 409 CA ALA A 27 16.270 -2.524 1.028 1.00 0.00 C ATOM 410 C ALA A 27 15.512 -2.186 -0.258 1.00 0.00 C ATOM 411 O ALA A 27 15.904 -2.569 -1.342 1.00 0.00 O ATOM 412 CB ALA A 27 16.164 -4.018 1.339 1.00 0.00 C ATOM 0 H ALA A 27 14.968 -2.415 2.714 1.00 0.00 H new ATOM 0 HA ALA A 27 17.305 -2.214 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.616 -4.591 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.686 -4.233 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.115 -4.296 1.438 1.00 0.00 H new ATOM 418 N VAL A 28 14.431 -1.462 -0.145 1.00 0.00 N ATOM 419 CA VAL A 28 13.651 -1.087 -1.357 1.00 0.00 C ATOM 420 C VAL A 28 14.246 0.173 -1.971 1.00 0.00 C ATOM 421 O VAL A 28 15.159 0.765 -1.431 1.00 0.00 O ATOM 422 CB VAL A 28 12.232 -0.822 -0.853 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.397 -0.175 -1.959 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.584 -2.144 -0.438 1.00 0.00 C ATOM 0 H VAL A 28 14.055 -1.114 0.737 1.00 0.00 H new ATOM 0 HA VAL A 28 13.665 -1.862 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 28 12.277 -0.149 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.388 0.010 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.854 0.769 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.353 -0.843 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.572 -1.956 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.546 -2.815 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.172 -2.604 0.356 1.00 0.00 H new ATOM 434 N LYS A 29 13.739 0.597 -3.089 1.00 0.00 N ATOM 435 CA LYS A 29 14.289 1.825 -3.711 1.00 0.00 C ATOM 436 C LYS A 29 13.549 3.043 -3.186 1.00 0.00 C ATOM 437 O LYS A 29 12.423 3.312 -3.549 1.00 0.00 O ATOM 438 CB LYS A 29 14.061 1.680 -5.203 1.00 0.00 C ATOM 439 CG LYS A 29 15.410 1.594 -5.913 1.00 0.00 C ATOM 440 CD LYS A 29 15.795 0.126 -6.105 1.00 0.00 C ATOM 441 CE LYS A 29 17.066 0.038 -6.955 1.00 0.00 C ATOM 442 NZ LYS A 29 17.684 -1.265 -6.584 1.00 0.00 N ATOM 0 H LYS A 29 12.974 0.151 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 29 15.347 1.953 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.472 0.786 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.492 2.530 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.357 2.096 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.174 2.107 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.959 -0.348 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.982 -0.414 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.833 0.076 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.740 0.869 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.562 -1.399 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.900 -1.270 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.022 -2.037 -6.801 1.00 0.00 H new ATOM 456 N CYS A 30 14.182 3.781 -2.337 1.00 0.00 N ATOM 457 CA CYS A 30 13.531 4.999 -1.777 1.00 0.00 C ATOM 458 C CYS A 30 12.874 5.789 -2.911 1.00 0.00 C ATOM 459 O CYS A 30 11.943 6.542 -2.703 1.00 0.00 O ATOM 460 CB CYS A 30 14.661 5.810 -1.142 1.00 0.00 C ATOM 461 SG CYS A 30 15.104 5.081 0.454 1.00 0.00 S ATOM 0 H CYS A 30 15.127 3.600 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 30 12.756 4.761 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.529 5.823 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.348 6.845 -1.007 1.00 0.00 H new ATOM 466 N GLY A 31 13.353 5.616 -4.114 1.00 0.00 N ATOM 467 CA GLY A 31 12.761 6.347 -5.269 1.00 0.00 C ATOM 468 C GLY A 31 11.613 5.526 -5.859 1.00 0.00 C ATOM 469 O GLY A 31 10.839 6.011 -6.655 1.00 0.00 O ATOM 0 H GLY A 31 14.131 4.998 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.396 7.323 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.522 6.526 -6.029 1.00 0.00 H new ATOM 473 N ASP A 32 11.482 4.289 -5.469 1.00 0.00 N ATOM 474 CA ASP A 32 10.366 3.469 -6.007 1.00 0.00 C ATOM 475 C ASP A 32 9.088 3.833 -5.254 1.00 0.00 C ATOM 476 O ASP A 32 8.012 3.880 -5.815 1.00 0.00 O ATOM 477 CB ASP A 32 10.777 2.020 -5.756 1.00 0.00 C ATOM 478 CG ASP A 32 10.652 1.228 -7.057 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.714 1.483 -7.796 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.499 0.383 -7.297 1.00 0.00 O ATOM 0 H ASP A 32 12.095 3.815 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 32 10.175 3.634 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.802 1.979 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.145 1.579 -4.986 1.00 0.00 H new ATOM 485 N CYS A 33 9.212 4.136 -3.990 1.00 0.00 N ATOM 486 CA CYS A 33 8.022 4.551 -3.199 1.00 0.00 C ATOM 487 C CYS A 33 7.895 6.072 -3.303 1.00 0.00 C ATOM 488 O CYS A 33 6.903 6.594 -3.772 1.00 0.00 O ATOM 489 CB CYS A 33 8.323 4.125 -1.760 1.00 0.00 C ATOM 490 SG CYS A 33 7.918 2.374 -1.545 1.00 0.00 S ATOM 0 H CYS A 33 10.090 4.113 -3.471 1.00 0.00 H new ATOM 0 HA CYS A 33 7.090 4.105 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.375 4.295 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.744 4.730 -1.063 1.00 0.00 H new ATOM 495 N HIS A 34 8.918 6.784 -2.905 1.00 0.00 N ATOM 496 CA HIS A 34 8.888 8.268 -3.021 1.00 0.00 C ATOM 497 C HIS A 34 9.416 8.657 -4.402 1.00 0.00 C ATOM 498 O HIS A 34 10.251 9.528 -4.531 1.00 0.00 O ATOM 499 CB HIS A 34 9.844 8.789 -1.944 1.00 0.00 C ATOM 500 CG HIS A 34 9.290 8.521 -0.571 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.154 9.154 -0.089 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.731 7.718 0.450 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.958 8.728 1.172 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.893 7.854 1.548 1.00 0.00 N ATOM 0 H HIS A 34 9.773 6.398 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 34 7.885 8.676 -2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.817 8.309 -2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.001 9.859 -2.076 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.573 9.821 -0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.599 7.077 0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.144 9.054 1.802 1.00 0.00 H new ATOM 512 N HIS A 35 8.957 7.990 -5.428 1.00 0.00 N ATOM 513 CA HIS A 35 9.448 8.291 -6.805 1.00 0.00 C ATOM 514 C HIS A 35 9.734 9.786 -6.975 1.00 0.00 C ATOM 515 O HIS A 35 9.310 10.598 -6.177 1.00 0.00 O ATOM 516 CB HIS A 35 8.329 7.835 -7.739 1.00 0.00 C ATOM 517 CG HIS A 35 7.012 8.329 -7.230 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.576 9.598 -7.515 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.022 7.743 -6.474 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.371 9.753 -6.946 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.981 8.650 -6.297 1.00 0.00 N ATOM 0 H HIS A 35 8.261 7.247 -5.371 1.00 0.00 H new ATOM 0 HA HIS A 35 10.387 7.780 -7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.506 8.214 -8.746 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.319 6.747 -7.805 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.078 10.298 -8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.049 6.738 -6.080 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.786 10.659 -7.005 1.00 0.00 H new ATOM 529 N PRO A 36 10.466 10.089 -8.012 1.00 0.00 N ATOM 530 CA PRO A 36 10.853 11.494 -8.298 1.00 0.00 C ATOM 531 C PRO A 36 9.635 12.354 -8.634 1.00 0.00 C ATOM 532 O PRO A 36 9.025 12.216 -9.675 1.00 0.00 O ATOM 533 CB PRO A 36 11.793 11.367 -9.496 1.00 0.00 C ATOM 534 CG PRO A 36 11.411 10.075 -10.140 1.00 0.00 C ATOM 535 CD PRO A 36 10.989 9.161 -9.020 1.00 0.00 C ATOM 0 HA PRO A 36 11.319 11.985 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.673 12.204 -10.184 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.837 11.360 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.599 10.219 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.249 9.652 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.230 8.449 -9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.828 8.580 -8.636 1.00 0.00 H new ATOM 543 N VAL A 37 9.294 13.252 -7.754 1.00 0.00 N ATOM 544 CA VAL A 37 8.132 14.149 -8.001 1.00 0.00 C ATOM 545 C VAL A 37 8.605 15.601 -7.982 1.00 0.00 C ATOM 546 O VAL A 37 9.611 15.925 -7.386 1.00 0.00 O ATOM 547 CB VAL A 37 7.169 13.880 -6.844 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.163 15.027 -6.735 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.421 12.570 -7.100 1.00 0.00 C ATOM 0 H VAL A 37 9.774 13.404 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 37 7.657 13.971 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 37 7.733 13.804 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.478 14.833 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.695 15.961 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.599 15.106 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.734 12.376 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.859 12.648 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.137 11.751 -7.176 1.00 0.00 H new ATOM 559 N ASN A 38 7.889 16.483 -8.615 1.00 0.00 N ATOM 560 CA ASN A 38 8.311 17.909 -8.611 1.00 0.00 C ATOM 561 C ASN A 38 9.801 18.028 -8.949 1.00 0.00 C ATOM 562 O ASN A 38 10.442 19.006 -8.617 1.00 0.00 O ATOM 563 CB ASN A 38 8.072 18.350 -7.176 1.00 0.00 C ATOM 564 CG ASN A 38 8.034 19.878 -7.097 1.00 0.00 C ATOM 565 OD1 ASN A 38 7.604 20.435 -6.106 1.00 0.00 O ATOM 566 ND2 ASN A 38 8.469 20.587 -8.104 1.00 0.00 N ATOM 0 H ASN A 38 7.034 16.281 -9.133 1.00 0.00 H new ATOM 0 HA ASN A 38 7.771 18.510 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.132 17.935 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.862 17.964 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.447 21.606 -8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.830 20.122 -8.937 1.00 0.00 H new ATOM 573 N GLY A 39 10.365 17.040 -9.591 1.00 0.00 N ATOM 574 CA GLY A 39 11.810 17.106 -9.921 1.00 0.00 C ATOM 575 C GLY A 39 12.600 16.416 -8.811 1.00 0.00 C ATOM 576 O GLY A 39 13.785 16.175 -8.936 1.00 0.00 O ATOM 0 H GLY A 39 9.885 16.194 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.001 16.621 -10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.127 18.144 -10.021 1.00 0.00 H new ATOM 580 N LYS A 40 11.954 16.096 -7.719 1.00 0.00 N ATOM 581 CA LYS A 40 12.681 15.420 -6.602 1.00 0.00 C ATOM 582 C LYS A 40 11.768 14.409 -5.901 1.00 0.00 C ATOM 583 O LYS A 40 10.589 14.643 -5.722 1.00 0.00 O ATOM 584 CB LYS A 40 13.068 16.545 -5.643 1.00 0.00 C ATOM 585 CG LYS A 40 11.864 17.462 -5.418 1.00 0.00 C ATOM 586 CD LYS A 40 12.271 18.629 -4.517 1.00 0.00 C ATOM 587 CE LYS A 40 11.445 18.593 -3.229 1.00 0.00 C ATOM 588 NZ LYS A 40 12.421 18.859 -2.137 1.00 0.00 N ATOM 0 H LYS A 40 10.963 16.272 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 40 13.550 14.866 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.403 16.128 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.901 17.116 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.496 17.837 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.048 16.903 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.334 18.567 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.114 19.575 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.656 19.345 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.960 17.626 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.928 18.850 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.156 18.123 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.861 19.790 -2.284 1.00 0.00 H new ATOM 602 N GLU A 41 12.303 13.286 -5.497 1.00 0.00 N ATOM 603 CA GLU A 41 11.458 12.270 -4.804 1.00 0.00 C ATOM 604 C GLU A 41 10.913 12.845 -3.500 1.00 0.00 C ATOM 605 O GLU A 41 11.648 13.082 -2.563 1.00 0.00 O ATOM 606 CB GLU A 41 12.386 11.095 -4.496 1.00 0.00 C ATOM 607 CG GLU A 41 12.628 10.280 -5.768 1.00 0.00 C ATOM 608 CD GLU A 41 13.919 9.473 -5.618 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.068 8.813 -4.603 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.736 9.528 -6.523 1.00 0.00 O ATOM 0 H GLU A 41 13.283 13.030 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 41 10.610 11.970 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.334 11.462 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.944 10.462 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.787 9.611 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.699 10.943 -6.630 1.00 0.00 H new ATOM 617 N ASP A 42 9.633 13.062 -3.421 1.00 0.00 N ATOM 618 CA ASP A 42 9.068 13.607 -2.159 1.00 0.00 C ATOM 619 C ASP A 42 9.225 12.573 -1.051 1.00 0.00 C ATOM 620 O ASP A 42 8.466 11.628 -0.951 1.00 0.00 O ATOM 621 CB ASP A 42 7.596 13.866 -2.441 1.00 0.00 C ATOM 622 CG ASP A 42 7.452 15.124 -3.298 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.023 15.152 -4.376 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.775 16.040 -2.862 1.00 0.00 O ATOM 0 H ASP A 42 8.959 12.888 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 42 9.573 14.518 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.158 13.011 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.052 13.987 -1.504 1.00 0.00 H new ATOM 629 N TYR A 43 10.209 12.742 -0.224 1.00 0.00 N ATOM 630 CA TYR A 43 10.432 11.770 0.879 1.00 0.00 C ATOM 631 C TYR A 43 9.473 12.067 2.033 1.00 0.00 C ATOM 632 O TYR A 43 9.878 12.224 3.168 1.00 0.00 O ATOM 633 CB TYR A 43 11.881 11.988 1.313 1.00 0.00 C ATOM 634 CG TYR A 43 12.802 11.716 0.148 1.00 0.00 C ATOM 635 CD1 TYR A 43 13.027 10.400 -0.278 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.432 12.781 -0.508 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.880 10.150 -1.359 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.286 12.530 -1.590 1.00 0.00 C ATOM 639 CZ TYR A 43 14.510 11.215 -2.014 1.00 0.00 C ATOM 640 OH TYR A 43 15.352 10.968 -3.080 1.00 0.00 O ATOM 0 H TYR A 43 10.874 13.515 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 43 10.254 10.740 0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.016 13.010 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.126 11.328 2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.542 9.578 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.260 13.795 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.052 9.136 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.771 13.351 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 43 15.162 10.080 -3.448 1.00 0.00 H new ATOM 650 N GLN A 44 8.203 12.152 1.748 1.00 0.00 N ATOM 651 CA GLN A 44 7.214 12.446 2.825 1.00 0.00 C ATOM 652 C GLN A 44 6.086 11.413 2.803 1.00 0.00 C ATOM 653 O GLN A 44 5.960 10.639 1.876 1.00 0.00 O ATOM 654 CB GLN A 44 6.675 13.841 2.503 1.00 0.00 C ATOM 655 CG GLN A 44 6.086 13.852 1.091 1.00 0.00 C ATOM 656 CD GLN A 44 5.923 15.297 0.615 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.821 15.550 -0.569 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.894 16.262 1.492 1.00 0.00 N ATOM 0 H GLN A 44 7.806 12.031 0.816 1.00 0.00 H new ATOM 0 HA GLN A 44 7.661 12.405 3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.912 14.123 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.475 14.577 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.738 13.305 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.121 13.345 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.980 16.050 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.786 17.228 1.184 1.00 0.00 H new ATOM 667 N LYS A 45 5.266 11.394 3.817 1.00 0.00 N ATOM 668 CA LYS A 45 4.150 10.406 3.855 1.00 0.00 C ATOM 669 C LYS A 45 3.510 10.273 2.471 1.00 0.00 C ATOM 670 O LYS A 45 3.302 11.245 1.773 1.00 0.00 O ATOM 671 CB LYS A 45 3.153 10.976 4.860 1.00 0.00 C ATOM 672 CG LYS A 45 3.511 10.492 6.266 1.00 0.00 C ATOM 673 CD LYS A 45 3.083 11.542 7.294 1.00 0.00 C ATOM 674 CE LYS A 45 1.564 11.718 7.240 1.00 0.00 C ATOM 675 NZ LYS A 45 1.355 13.151 6.893 1.00 0.00 N ATOM 0 H LYS A 45 5.320 12.019 4.621 1.00 0.00 H new ATOM 0 HA LYS A 45 4.489 9.410 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.167 12.065 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.141 10.662 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.016 9.543 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.584 10.314 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.389 11.234 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.578 12.491 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.117 11.062 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.104 11.472 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.336 13.350 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.785 13.752 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.798 13.354 5.974 1.00 0.00 H new ATOM 689 N CYS A 46 3.206 9.071 2.071 1.00 0.00 N ATOM 690 CA CYS A 46 2.589 8.855 0.732 1.00 0.00 C ATOM 691 C CYS A 46 1.337 9.717 0.561 1.00 0.00 C ATOM 692 O CYS A 46 1.127 10.326 -0.469 1.00 0.00 O ATOM 693 CB CYS A 46 2.231 7.369 0.708 1.00 0.00 C ATOM 694 SG CYS A 46 3.724 6.386 1.007 1.00 0.00 S ATOM 0 H CYS A 46 3.359 8.223 2.617 1.00 0.00 H new ATOM 0 HA CYS A 46 3.261 9.132 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.481 7.152 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.795 7.104 -0.255 1.00 0.00 H new ATOM 699 N ALA A 47 0.504 9.767 1.557 1.00 0.00 N ATOM 700 CA ALA A 47 -0.739 10.583 1.450 1.00 0.00 C ATOM 701 C ALA A 47 -0.483 12.012 1.931 1.00 0.00 C ATOM 702 O ALA A 47 -1.227 12.555 2.722 1.00 0.00 O ATOM 703 CB ALA A 47 -1.741 9.893 2.366 1.00 0.00 C ATOM 0 H ALA A 47 0.627 9.278 2.444 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.096 10.652 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.687 10.434 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.900 8.870 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.354 9.880 3.385 1.00 0.00 H new ATOM 709 N THR A 48 0.564 12.620 1.460 1.00 0.00 N ATOM 710 CA THR A 48 0.874 14.004 1.885 1.00 0.00 C ATOM 711 C THR A 48 -0.387 14.864 1.855 1.00 0.00 C ATOM 712 O THR A 48 -1.412 14.471 1.334 1.00 0.00 O ATOM 713 CB THR A 48 1.902 14.512 0.874 1.00 0.00 C ATOM 714 OG1 THR A 48 2.526 13.406 0.238 1.00 0.00 O ATOM 715 CG2 THR A 48 2.958 15.353 1.594 1.00 0.00 C ATOM 0 H THR A 48 1.222 12.214 0.795 1.00 0.00 H new ATOM 0 HA THR A 48 1.256 14.045 2.905 1.00 0.00 H new ATOM 0 HB THR A 48 1.402 15.126 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.872 12.790 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.690 15.714 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.478 16.202 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.460 14.742 2.345 1.00 0.00 H new ATOM 723 N ALA A 49 -0.313 16.033 2.416 1.00 0.00 N ATOM 724 CA ALA A 49 -1.501 16.935 2.434 1.00 0.00 C ATOM 725 C ALA A 49 -1.855 17.369 1.014 1.00 0.00 C ATOM 726 O ALA A 49 -1.789 18.532 0.667 1.00 0.00 O ATOM 727 CB ALA A 49 -1.073 18.138 3.261 1.00 0.00 C ATOM 0 H ALA A 49 0.522 16.409 2.866 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.382 16.445 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.896 18.850 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.802 17.811 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.214 18.616 2.791 1.00 0.00 H new ATOM 733 N GLY A 50 -2.227 16.436 0.195 1.00 0.00 N ATOM 734 CA GLY A 50 -2.588 16.767 -1.213 1.00 0.00 C ATOM 735 C GLY A 50 -1.837 15.829 -2.156 1.00 0.00 C ATOM 736 O GLY A 50 -1.515 16.177 -3.274 1.00 0.00 O ATOM 0 H GLY A 50 -2.299 15.448 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.663 16.665 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.333 17.804 -1.433 1.00 0.00 H new ATOM 740 N CYS A 51 -1.549 14.641 -1.704 1.00 0.00 N ATOM 741 CA CYS A 51 -0.813 13.671 -2.552 1.00 0.00 C ATOM 742 C CYS A 51 -1.659 12.405 -2.739 1.00 0.00 C ATOM 743 O CYS A 51 -2.330 12.240 -3.738 1.00 0.00 O ATOM 744 CB CYS A 51 0.462 13.392 -1.757 1.00 0.00 C ATOM 745 SG CYS A 51 1.897 13.579 -2.840 1.00 0.00 S ATOM 0 H CYS A 51 -1.795 14.300 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.593 14.037 -3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.536 14.080 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.433 12.384 -1.344 1.00 0.00 H new ATOM 750 N HIS A 52 -1.654 11.527 -1.777 1.00 0.00 N ATOM 751 CA HIS A 52 -2.476 10.292 -1.883 1.00 0.00 C ATOM 752 C HIS A 52 -3.485 10.273 -0.734 1.00 0.00 C ATOM 753 O HIS A 52 -3.913 9.230 -0.283 1.00 0.00 O ATOM 754 CB HIS A 52 -1.492 9.134 -1.730 1.00 0.00 C ATOM 755 CG HIS A 52 -0.660 8.979 -2.966 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.232 8.827 -4.205 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.697 8.915 -3.162 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.238 8.670 -5.098 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.962 8.720 -4.513 1.00 0.00 N ATOM 0 H HIS A 52 -1.112 11.613 -0.917 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.023 10.231 -2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.846 9.311 -0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.037 8.211 -1.534 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.231 8.832 -4.411 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.444 9.003 -2.387 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.391 8.522 -6.157 1.00 0.00 H new ATOM 767 N ASP A 53 -3.847 11.428 -0.246 1.00 0.00 N ATOM 768 CA ASP A 53 -4.807 11.494 0.892 1.00 0.00 C ATOM 769 C ASP A 53 -6.251 11.514 0.387 1.00 0.00 C ATOM 770 O ASP A 53 -7.137 12.020 1.047 1.00 0.00 O ATOM 771 CB ASP A 53 -4.475 12.801 1.612 1.00 0.00 C ATOM 772 CG ASP A 53 -5.139 12.808 2.990 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.563 11.751 3.426 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.212 13.870 3.586 1.00 0.00 O ATOM 0 H ASP A 53 -3.518 12.331 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.720 10.627 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.395 12.907 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.823 13.651 1.025 1.00 0.00 H new ATOM 779 N ASN A 54 -6.505 10.965 -0.768 1.00 0.00 N ATOM 780 CA ASN A 54 -7.900 10.959 -1.281 1.00 0.00 C ATOM 781 C ASN A 54 -8.682 9.828 -0.602 1.00 0.00 C ATOM 782 O ASN A 54 -8.405 8.662 -0.790 1.00 0.00 O ATOM 783 CB ASN A 54 -7.758 10.757 -2.799 1.00 0.00 C ATOM 784 CG ASN A 54 -8.381 9.432 -3.247 1.00 0.00 C ATOM 785 OD1 ASN A 54 -7.989 8.375 -2.798 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.325 9.451 -4.143 1.00 0.00 N ATOM 0 H ASN A 54 -5.813 10.524 -1.373 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.452 11.875 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.239 11.583 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.703 10.776 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.737 8.576 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.653 10.340 -4.519 1.00 0.00 H new ATOM 793 N MET A 55 -9.641 10.171 0.214 1.00 0.00 N ATOM 794 CA MET A 55 -10.422 9.123 0.927 1.00 0.00 C ATOM 795 C MET A 55 -11.548 8.591 0.038 1.00 0.00 C ATOM 796 O MET A 55 -12.501 8.006 0.513 1.00 0.00 O ATOM 797 CB MET A 55 -10.996 9.832 2.153 1.00 0.00 C ATOM 798 CG MET A 55 -9.854 10.430 2.977 1.00 0.00 C ATOM 799 SD MET A 55 -8.786 9.100 3.583 1.00 0.00 S ATOM 800 CE MET A 55 -7.385 9.416 2.482 1.00 0.00 C ATOM 0 H MET A 55 -9.917 11.132 0.417 1.00 0.00 H new ATOM 0 HA MET A 55 -9.807 8.264 1.197 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.685 10.618 1.843 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.567 9.129 2.759 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.277 11.125 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.256 10.999 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.455 9.188 3.002 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.469 8.786 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.386 10.464 2.183 1.00 0.00 H new ATOM 810 N ASP A 56 -11.446 8.781 -1.247 1.00 0.00 N ATOM 811 CA ASP A 56 -12.511 8.273 -2.156 1.00 0.00 C ATOM 812 C ASP A 56 -12.315 6.775 -2.382 1.00 0.00 C ATOM 813 O ASP A 56 -13.175 6.093 -2.904 1.00 0.00 O ATOM 814 CB ASP A 56 -12.323 9.046 -3.462 1.00 0.00 C ATOM 815 CG ASP A 56 -13.690 9.389 -4.055 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.612 8.615 -3.853 1.00 0.00 O ATOM 817 OD2 ASP A 56 -13.793 10.420 -4.699 1.00 0.00 O ATOM 0 H ASP A 56 -10.674 9.264 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.513 8.412 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.756 9.958 -3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.747 8.450 -4.170 1.00 0.00 H new ATOM 822 N LYS A 57 -11.182 6.257 -1.990 1.00 0.00 N ATOM 823 CA LYS A 57 -10.919 4.802 -2.175 1.00 0.00 C ATOM 824 C LYS A 57 -11.352 4.366 -3.577 1.00 0.00 C ATOM 825 O LYS A 57 -11.644 3.211 -3.818 1.00 0.00 O ATOM 826 CB LYS A 57 -11.762 4.105 -1.104 1.00 0.00 C ATOM 827 CG LYS A 57 -11.508 4.761 0.254 1.00 0.00 C ATOM 828 CD LYS A 57 -12.780 4.691 1.102 1.00 0.00 C ATOM 829 CE LYS A 57 -13.252 3.238 1.199 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.739 3.316 1.186 1.00 0.00 N ATOM 0 H LYS A 57 -10.426 6.781 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.862 4.555 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.820 4.171 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.510 3.045 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.689 4.256 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.206 5.799 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.587 5.089 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.560 5.309 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.880 2.645 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.889 2.765 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.137 2.357 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.064 3.881 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.055 3.765 0.303 1.00 0.00 H new ATOM 844 N LYS A 58 -11.398 5.285 -4.503 1.00 0.00 N ATOM 845 CA LYS A 58 -11.813 4.929 -5.890 1.00 0.00 C ATOM 846 C LYS A 58 -10.936 5.652 -6.918 1.00 0.00 C ATOM 847 O LYS A 58 -10.752 5.186 -8.026 1.00 0.00 O ATOM 848 CB LYS A 58 -13.265 5.398 -5.995 1.00 0.00 C ATOM 849 CG LYS A 58 -13.305 6.918 -6.160 1.00 0.00 C ATOM 850 CD LYS A 58 -13.494 7.268 -7.637 1.00 0.00 C ATOM 851 CE LYS A 58 -14.611 8.304 -7.779 1.00 0.00 C ATOM 852 NZ LYS A 58 -14.459 8.846 -9.158 1.00 0.00 N ATOM 0 H LYS A 58 -11.166 6.268 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.709 3.863 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.752 4.917 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.817 5.105 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.120 7.337 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.381 7.359 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.565 7.661 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.741 6.371 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.592 7.849 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.516 9.092 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.191 9.564 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.519 9.279 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.561 8.074 -9.848 1.00 0.00 H new ATOM 866 N ASP A 59 -10.391 6.785 -6.565 1.00 0.00 N ATOM 867 CA ASP A 59 -9.529 7.531 -7.528 1.00 0.00 C ATOM 868 C ASP A 59 -8.460 6.603 -8.111 1.00 0.00 C ATOM 869 O ASP A 59 -7.481 6.288 -7.466 1.00 0.00 O ATOM 870 CB ASP A 59 -8.877 8.640 -6.702 1.00 0.00 C ATOM 871 CG ASP A 59 -7.710 9.241 -7.488 1.00 0.00 C ATOM 872 OD1 ASP A 59 -7.952 9.766 -8.562 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.593 9.167 -7.002 1.00 0.00 O ATOM 0 H ASP A 59 -10.505 7.226 -5.652 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.100 7.928 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.609 9.413 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.522 8.240 -5.752 1.00 0.00 H new ATOM 878 N LYS A 60 -8.640 6.165 -9.328 1.00 0.00 N ATOM 879 CA LYS A 60 -7.630 5.261 -9.949 1.00 0.00 C ATOM 880 C LYS A 60 -6.530 6.085 -10.623 1.00 0.00 C ATOM 881 O LYS A 60 -5.955 5.679 -11.614 1.00 0.00 O ATOM 882 CB LYS A 60 -8.408 4.452 -10.987 1.00 0.00 C ATOM 883 CG LYS A 60 -8.692 3.054 -10.437 1.00 0.00 C ATOM 884 CD LYS A 60 -7.452 2.173 -10.613 1.00 0.00 C ATOM 885 CE LYS A 60 -7.561 1.395 -11.925 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.165 0.986 -12.246 1.00 0.00 N ATOM 0 H LYS A 60 -9.440 6.393 -9.917 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.142 4.619 -9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.344 4.956 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.835 4.381 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.961 3.115 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.542 2.613 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.553 2.789 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.362 1.482 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.212 0.527 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.983 2.013 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.173 0.050 -12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.740 1.680 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.606 0.942 -11.370 1.00 0.00 H new ATOM 900 N SER A 61 -6.231 7.240 -10.093 1.00 0.00 N ATOM 901 CA SER A 61 -5.169 8.090 -10.704 1.00 0.00 C ATOM 902 C SER A 61 -3.947 8.153 -9.782 1.00 0.00 C ATOM 903 O SER A 61 -3.762 7.314 -8.924 1.00 0.00 O ATOM 904 CB SER A 61 -5.802 9.472 -10.849 1.00 0.00 C ATOM 905 OG SER A 61 -6.117 9.703 -12.215 1.00 0.00 O ATOM 0 H SER A 61 -6.676 7.632 -9.263 1.00 0.00 H new ATOM 0 HA SER A 61 -4.825 7.697 -11.661 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.704 9.537 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.117 10.238 -10.487 1.00 0.00 H new ATOM 0 HG SER A 61 -6.525 10.589 -12.311 1.00 0.00 H new ATOM 911 N ALA A 62 -3.111 9.139 -9.957 1.00 0.00 N ATOM 912 CA ALA A 62 -1.902 9.253 -9.093 1.00 0.00 C ATOM 913 C ALA A 62 -2.175 10.192 -7.913 1.00 0.00 C ATOM 914 O ALA A 62 -1.281 10.836 -7.403 1.00 0.00 O ATOM 915 CB ALA A 62 -0.822 9.839 -10.002 1.00 0.00 C ATOM 0 H ALA A 62 -3.213 9.870 -10.661 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.607 8.293 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.104 9.955 -9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.653 9.169 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.146 10.812 -10.371 1.00 0.00 H new ATOM 921 N LYS A 63 -3.403 10.278 -7.479 1.00 0.00 N ATOM 922 CA LYS A 63 -3.723 11.181 -6.335 1.00 0.00 C ATOM 923 C LYS A 63 -4.704 10.507 -5.378 1.00 0.00 C ATOM 924 O LYS A 63 -5.427 11.164 -4.656 1.00 0.00 O ATOM 925 CB LYS A 63 -4.376 12.405 -6.973 1.00 0.00 C ATOM 926 CG LYS A 63 -3.978 13.661 -6.195 1.00 0.00 C ATOM 927 CD LYS A 63 -5.146 14.108 -5.313 1.00 0.00 C ATOM 928 CE LYS A 63 -5.709 15.429 -5.842 1.00 0.00 C ATOM 929 NZ LYS A 63 -6.886 15.718 -4.977 1.00 0.00 N ATOM 0 H LYS A 63 -4.196 9.765 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.835 11.435 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.065 12.495 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.460 12.293 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.101 13.458 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.705 14.458 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.924 13.345 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.812 14.230 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.969 16.227 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.000 15.343 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.327 16.610 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.577 14.945 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.577 15.801 -3.987 1.00 0.00 H new ATOM 943 N GLY A 64 -4.747 9.206 -5.365 1.00 0.00 N ATOM 944 CA GLY A 64 -5.693 8.514 -4.449 1.00 0.00 C ATOM 945 C GLY A 64 -4.939 7.516 -3.576 1.00 0.00 C ATOM 946 O GLY A 64 -4.198 6.683 -4.059 1.00 0.00 O ATOM 0 H GLY A 64 -4.172 8.595 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.205 9.244 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.459 7.998 -5.027 1.00 0.00 H new ATOM 950 N TYR A 65 -5.134 7.591 -2.291 1.00 0.00 N ATOM 951 CA TYR A 65 -4.446 6.643 -1.374 1.00 0.00 C ATOM 952 C TYR A 65 -4.690 5.209 -1.856 1.00 0.00 C ATOM 953 O TYR A 65 -3.786 4.518 -2.283 1.00 0.00 O ATOM 954 CB TYR A 65 -5.115 6.884 -0.018 1.00 0.00 C ATOM 955 CG TYR A 65 -4.114 6.704 1.100 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.784 7.107 0.931 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.523 6.138 2.312 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.865 6.944 1.974 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.605 5.974 3.353 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.276 6.377 3.186 1.00 0.00 C ATOM 961 OH TYR A 65 -1.372 6.217 4.215 1.00 0.00 O ATOM 0 H TYR A 65 -5.742 8.271 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.367 6.787 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.531 7.891 0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.946 6.191 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.467 7.544 -0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.549 5.827 2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.839 7.256 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.922 5.536 4.288 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.131 5.270 4.294 1.00 0.00 H new ATOM 971 N TYR A 66 -5.915 4.768 -1.793 1.00 0.00 N ATOM 972 CA TYR A 66 -6.260 3.391 -2.240 1.00 0.00 C ATOM 973 C TYR A 66 -5.510 2.994 -3.515 1.00 0.00 C ATOM 974 O TYR A 66 -4.684 2.103 -3.509 1.00 0.00 O ATOM 975 CB TYR A 66 -7.754 3.465 -2.526 1.00 0.00 C ATOM 976 CG TYR A 66 -8.397 2.138 -2.232 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.350 1.109 -3.178 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.046 1.942 -1.013 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.955 -0.122 -2.902 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.653 0.712 -0.735 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.607 -0.321 -1.679 1.00 0.00 C ATOM 982 OH TYR A 66 -10.206 -1.534 -1.405 1.00 0.00 O ATOM 0 H TYR A 66 -6.704 5.313 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.990 2.647 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.212 4.244 -1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.921 3.737 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.847 1.265 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.080 2.739 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.919 -0.918 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.157 0.560 0.208 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.514 -1.943 -2.241 1.00 0.00 H new ATOM 992 N HIS A 67 -5.819 3.622 -4.613 1.00 0.00 N ATOM 993 CA HIS A 67 -5.160 3.255 -5.897 1.00 0.00 C ATOM 994 C HIS A 67 -3.675 2.943 -5.700 1.00 0.00 C ATOM 995 O HIS A 67 -3.271 1.798 -5.650 1.00 0.00 O ATOM 996 CB HIS A 67 -5.319 4.475 -6.798 1.00 0.00 C ATOM 997 CG HIS A 67 -4.481 4.269 -8.026 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.796 3.313 -8.974 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.311 4.849 -8.452 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.835 3.335 -9.910 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -2.904 4.256 -9.644 1.00 0.00 N ATOM 0 H HIS A 67 -6.502 4.377 -4.678 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.611 2.359 -6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.365 4.611 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.007 5.378 -6.273 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.612 2.701 -8.964 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.787 5.643 -7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.816 2.687 -10.774 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.861 3.952 -5.615 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.396 3.721 -5.452 1.00 0.00 C ATOM 1011 C ALA A 68 -1.122 2.653 -4.388 1.00 0.00 C ATOM 1012 O ALA A 68 -0.075 2.042 -4.370 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.830 5.069 -5.009 1.00 0.00 C ATOM 0 H ALA A 68 -3.144 4.931 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.940 3.362 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.247 4.982 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.036 5.819 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.297 5.369 -4.071 1.00 0.00 H new ATOM 1019 N MET A 69 -2.037 2.439 -3.482 1.00 0.00 N ATOM 1020 CA MET A 69 -1.794 1.427 -2.414 1.00 0.00 C ATOM 1021 C MET A 69 -2.289 0.032 -2.814 1.00 0.00 C ATOM 1022 O MET A 69 -1.706 -0.964 -2.434 1.00 0.00 O ATOM 1023 CB MET A 69 -2.576 1.947 -1.215 1.00 0.00 C ATOM 1024 CG MET A 69 -1.993 3.291 -0.781 1.00 0.00 C ATOM 1025 SD MET A 69 -1.046 3.080 0.747 1.00 0.00 S ATOM 1026 CE MET A 69 0.355 4.129 0.288 1.00 0.00 C ATOM 0 H MET A 69 -2.937 2.917 -3.435 1.00 0.00 H new ATOM 0 HA MET A 69 -0.729 1.310 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.629 2.060 -1.473 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.524 1.232 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.351 3.690 -1.566 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.795 4.013 -0.627 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.175 3.967 0.987 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.683 3.877 -0.721 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.052 5.176 0.321 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.358 -0.063 -3.552 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.861 -1.414 -3.928 1.00 0.00 C ATOM 1038 C HIS A 70 -3.636 -1.695 -5.418 1.00 0.00 C ATOM 1039 O HIS A 70 -3.790 -2.810 -5.875 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.353 -1.381 -3.606 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.537 -0.982 -2.168 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.780 0.329 -1.789 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.508 -1.708 -1.006 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.885 0.351 -0.449 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.728 -0.865 0.078 1.00 0.00 N ATOM 0 H HIS A 70 -3.900 0.724 -3.908 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.338 -2.204 -3.389 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.863 -0.675 -4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.798 -2.360 -3.785 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.864 1.131 -2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.340 -2.773 -0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.073 1.243 0.130 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.274 -0.701 -6.180 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.047 -0.931 -7.635 1.00 0.00 C ATOM 1055 C ASP A 71 -1.628 -1.445 -7.888 1.00 0.00 C ATOM 1056 O ASP A 71 -0.743 -1.281 -7.074 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.256 0.435 -8.282 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.754 0.726 -8.355 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.403 0.650 -7.325 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.230 1.013 -9.441 1.00 0.00 O ATOM 0 H ASP A 71 -3.126 0.256 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.721 -1.684 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.750 1.207 -7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.820 0.449 -9.281 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.410 -2.069 -9.015 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.051 -2.597 -9.329 1.00 0.00 C ATOM 1067 C LYS A 72 0.547 -1.838 -10.514 1.00 0.00 C ATOM 1068 O LYS A 72 1.612 -1.261 -10.423 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.271 -4.068 -9.688 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.137 -4.732 -8.617 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.497 -5.097 -9.214 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.301 -6.090 -10.362 1.00 0.00 C ATOM 1073 NZ LYS A 72 -2.590 -7.425 -9.769 1.00 0.00 N ATOM 0 H LYS A 72 -2.116 -2.236 -9.732 1.00 0.00 H new ATOM 0 HA LYS A 72 0.642 -2.481 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.754 -4.147 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.687 -4.581 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.643 -5.626 -8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.269 -4.057 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.137 -5.533 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.999 -4.200 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.974 -5.872 -11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.285 -6.044 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.876 -8.084 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.737 -7.787 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.359 -7.337 -9.074 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.136 -1.830 -11.623 1.00 0.00 N ATOM 1088 CA GLY A 73 0.385 -1.104 -12.816 1.00 0.00 C ATOM 1089 C GLY A 73 0.365 0.399 -12.537 1.00 0.00 C ATOM 1090 O GLY A 73 -0.273 1.164 -13.233 1.00 0.00 O ATOM 0 H GLY A 73 -1.034 -2.295 -11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.400 -1.431 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.225 -1.332 -13.690 1.00 0.00 H new ATOM 1094 N THR A 74 1.056 0.824 -11.517 1.00 0.00 N ATOM 1095 CA THR A 74 1.078 2.276 -11.175 1.00 0.00 C ATOM 1096 C THR A 74 2.400 2.911 -11.614 1.00 0.00 C ATOM 1097 O THR A 74 3.383 2.233 -11.830 1.00 0.00 O ATOM 1098 CB THR A 74 0.962 2.312 -9.651 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.729 1.251 -9.097 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.502 2.151 -9.238 1.00 0.00 C ATOM 0 H THR A 74 1.609 0.227 -10.902 1.00 0.00 H new ATOM 0 HA THR A 74 0.280 2.828 -11.671 1.00 0.00 H new ATOM 0 HB THR A 74 1.335 3.268 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.596 1.596 -8.797 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.578 2.177 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.091 2.963 -9.663 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.881 1.197 -9.605 1.00 0.00 H new ATOM 1108 N LYS A 75 2.430 4.212 -11.735 1.00 0.00 N ATOM 1109 CA LYS A 75 3.690 4.896 -12.143 1.00 0.00 C ATOM 1110 C LYS A 75 4.885 4.213 -11.472 1.00 0.00 C ATOM 1111 O LYS A 75 5.969 4.150 -12.016 1.00 0.00 O ATOM 1112 CB LYS A 75 3.540 6.331 -11.628 1.00 0.00 C ATOM 1113 CG LYS A 75 4.304 7.289 -12.544 1.00 0.00 C ATOM 1114 CD LYS A 75 3.792 7.145 -13.978 1.00 0.00 C ATOM 1115 CE LYS A 75 4.949 6.750 -14.898 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.497 8.040 -15.402 1.00 0.00 N ATOM 0 H LYS A 75 1.636 4.830 -11.569 1.00 0.00 H new ATOM 0 HA LYS A 75 3.857 4.863 -13.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.486 6.607 -11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.922 6.404 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.175 8.316 -12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.371 7.072 -12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.006 6.391 -14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.351 8.084 -14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.707 6.183 -14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.604 6.120 -15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.296 7.852 -16.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.755 8.555 -15.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.824 8.615 -14.600 1.00 0.00 H new ATOM 1130 N PHE A 76 4.684 3.695 -10.291 1.00 0.00 N ATOM 1131 CA PHE A 76 5.796 3.005 -9.569 1.00 0.00 C ATOM 1132 C PHE A 76 5.269 1.777 -8.839 1.00 0.00 C ATOM 1133 O PHE A 76 4.077 1.545 -8.783 1.00 0.00 O ATOM 1134 CB PHE A 76 6.302 4.020 -8.555 1.00 0.00 C ATOM 1135 CG PHE A 76 6.692 5.284 -9.270 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.874 5.336 -10.016 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.856 6.403 -9.197 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.219 6.511 -10.690 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.203 7.577 -9.868 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.382 7.631 -10.614 1.00 0.00 C ATOM 0 H PHE A 76 3.795 3.719 -9.792 1.00 0.00 H new ATOM 0 HA PHE A 76 6.577 2.673 -10.253 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.528 4.230 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.158 3.616 -8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.518 4.471 -10.071 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.943 6.359 -8.622 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.130 6.555 -11.269 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.560 8.443 -9.810 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.649 8.539 -11.134 1.00 0.00 H new ATOM 1150 N LYS A 77 6.134 0.995 -8.250 1.00 0.00 N ATOM 1151 CA LYS A 77 5.633 -0.186 -7.510 1.00 0.00 C ATOM 1152 C LYS A 77 4.888 0.299 -6.272 1.00 0.00 C ATOM 1153 O LYS A 77 5.446 0.897 -5.375 1.00 0.00 O ATOM 1154 CB LYS A 77 6.852 -1.018 -7.136 1.00 0.00 C ATOM 1155 CG LYS A 77 7.834 -0.184 -6.318 1.00 0.00 C ATOM 1156 CD LYS A 77 9.128 -0.979 -6.131 1.00 0.00 C ATOM 1157 CE LYS A 77 9.661 -1.419 -7.498 1.00 0.00 C ATOM 1158 NZ LYS A 77 11.019 -1.965 -7.223 1.00 0.00 N ATOM 0 H LYS A 77 7.146 1.123 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 77 4.944 -0.789 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.542 -1.892 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.341 -1.385 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.041 0.758 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.401 0.064 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.871 -0.368 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.944 -1.851 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.016 -2.173 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.706 -0.581 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.318 -2.567 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.692 -1.180 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.996 -2.529 -6.350 1.00 0.00 H new ATOM 1172 N SER A 78 3.619 0.066 -6.257 1.00 0.00 N ATOM 1173 CA SER A 78 2.762 0.523 -5.125 1.00 0.00 C ATOM 1174 C SER A 78 2.884 -0.406 -3.917 1.00 0.00 C ATOM 1175 O SER A 78 3.630 -1.365 -3.925 1.00 0.00 O ATOM 1176 CB SER A 78 1.344 0.469 -5.687 1.00 0.00 C ATOM 1177 OG SER A 78 1.322 -0.404 -6.810 1.00 0.00 O ATOM 0 H SER A 78 3.119 -0.432 -6.994 1.00 0.00 H new ATOM 0 HA SER A 78 3.049 1.514 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.650 0.117 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.017 1.467 -5.980 1.00 0.00 H new ATOM 0 HG SER A 78 0.423 -0.780 -6.915 1.00 0.00 H new ATOM 1183 N CYS A 79 2.143 -0.124 -2.878 1.00 0.00 N ATOM 1184 CA CYS A 79 2.195 -0.981 -1.661 1.00 0.00 C ATOM 1185 C CYS A 79 1.733 -2.397 -2.009 1.00 0.00 C ATOM 1186 O CYS A 79 2.510 -3.329 -2.027 1.00 0.00 O ATOM 1187 CB CYS A 79 1.232 -0.318 -0.677 1.00 0.00 C ATOM 1188 SG CYS A 79 1.864 1.320 -0.220 1.00 0.00 S ATOM 0 H CYS A 79 1.502 0.667 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 79 3.199 -1.068 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.243 -0.225 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.121 -0.938 0.213 1.00 0.00 H new ATOM 1193 N VAL A 80 0.473 -2.560 -2.302 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.036 -3.913 -2.669 1.00 0.00 C ATOM 1195 C VAL A 80 0.558 -4.329 -4.017 1.00 0.00 C ATOM 1196 O VAL A 80 0.743 -5.498 -4.295 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.552 -3.755 -2.778 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.141 -4.965 -3.505 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.165 -3.656 -1.374 1.00 0.00 C ATOM 0 H VAL A 80 -0.226 -1.817 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 80 0.235 -4.676 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.779 -2.847 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.222 -4.852 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.711 -5.034 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.910 -5.873 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.246 -3.543 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.936 -4.562 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.749 -2.792 -0.855 1.00 0.00 H new ATOM 1209 N GLY A 81 0.863 -3.373 -4.856 1.00 0.00 N ATOM 1210 CA GLY A 81 1.453 -3.699 -6.186 1.00 0.00 C ATOM 1211 C GLY A 81 2.849 -4.289 -5.985 1.00 0.00 C ATOM 1212 O GLY A 81 3.222 -5.256 -6.615 1.00 0.00 O ATOM 0 H GLY A 81 0.728 -2.378 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.818 -4.409 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.510 -2.802 -6.802 1.00 0.00 H new ATOM 1216 N CYS A 82 3.615 -3.724 -5.090 1.00 0.00 N ATOM 1217 CA CYS A 82 4.977 -4.267 -4.829 1.00 0.00 C ATOM 1218 C CYS A 82 4.840 -5.511 -3.962 1.00 0.00 C ATOM 1219 O CYS A 82 5.725 -6.338 -3.880 1.00 0.00 O ATOM 1220 CB CYS A 82 5.713 -3.165 -4.066 1.00 0.00 C ATOM 1221 SG CYS A 82 7.500 -3.414 -4.216 1.00 0.00 S ATOM 0 H CYS A 82 3.356 -2.912 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 82 5.510 -4.540 -5.739 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.437 -2.188 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.420 -3.178 -3.016 1.00 0.00 H new ATOM 1226 N HIS A 83 3.716 -5.637 -3.318 1.00 0.00 N ATOM 1227 CA HIS A 83 3.469 -6.810 -2.446 1.00 0.00 C ATOM 1228 C HIS A 83 3.107 -8.028 -3.302 1.00 0.00 C ATOM 1229 O HIS A 83 3.791 -9.032 -3.286 1.00 0.00 O ATOM 1230 CB HIS A 83 2.303 -6.367 -1.564 1.00 0.00 C ATOM 1231 CG HIS A 83 2.845 -5.663 -0.353 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.136 -5.574 0.835 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.034 -5.011 -0.129 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.896 -4.896 1.710 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.062 -4.530 1.174 1.00 0.00 N ATOM 0 H HIS A 83 2.949 -4.966 -3.361 1.00 0.00 H new ATOM 0 HA HIS A 83 4.335 -7.108 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.641 -5.703 -2.120 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.709 -7.230 -1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.206 -5.954 1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.825 -4.891 -0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.600 -4.674 2.724 1.00 0.00 H new ATOM 1243 N LEU A 84 2.050 -7.944 -4.066 1.00 0.00 N ATOM 1244 CA LEU A 84 1.667 -9.086 -4.933 1.00 0.00 C ATOM 1245 C LEU A 84 2.877 -9.545 -5.751 1.00 0.00 C ATOM 1246 O LEU A 84 2.976 -10.690 -6.145 1.00 0.00 O ATOM 1247 CB LEU A 84 0.586 -8.511 -5.841 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.647 -9.409 -5.799 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.884 -8.596 -6.182 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.471 -10.566 -6.786 1.00 0.00 C ATOM 0 H LEU A 84 1.437 -7.131 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 84 1.319 -9.954 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.325 -7.503 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.958 -8.434 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.771 -9.807 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.765 -9.238 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.011 -7.773 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.760 -8.197 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.352 -11.207 -6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.346 -10.169 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.410 -11.147 -6.513 1.00 0.00 H new ATOM 1262 N GLU A 85 3.801 -8.657 -6.003 1.00 0.00 N ATOM 1263 CA GLU A 85 5.009 -9.037 -6.789 1.00 0.00 C ATOM 1264 C GLU A 85 6.126 -9.491 -5.844 1.00 0.00 C ATOM 1265 O GLU A 85 6.827 -10.446 -6.111 1.00 0.00 O ATOM 1266 CB GLU A 85 5.417 -7.765 -7.534 1.00 0.00 C ATOM 1267 CG GLU A 85 4.498 -7.565 -8.741 1.00 0.00 C ATOM 1268 CD GLU A 85 5.121 -8.228 -9.972 1.00 0.00 C ATOM 1269 OE1 GLU A 85 5.996 -7.622 -10.567 1.00 0.00 O ATOM 1270 OE2 GLU A 85 4.711 -9.330 -10.298 1.00 0.00 O ATOM 0 H GLU A 85 3.771 -7.684 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 85 4.815 -9.862 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.353 -6.904 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.454 -7.839 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.517 -7.996 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.347 -6.501 -8.925 1.00 0.00 H new ATOM 1277 N THR A 86 6.290 -8.818 -4.737 1.00 0.00 N ATOM 1278 CA THR A 86 7.355 -9.218 -3.774 1.00 0.00 C ATOM 1279 C THR A 86 7.019 -10.587 -3.172 1.00 0.00 C ATOM 1280 O THR A 86 7.805 -11.170 -2.452 1.00 0.00 O ATOM 1281 CB THR A 86 7.351 -8.130 -2.694 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.151 -7.038 -3.127 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.917 -8.692 -1.388 1.00 0.00 C ATOM 0 H THR A 86 5.733 -8.010 -4.459 1.00 0.00 H new ATOM 0 HA THR A 86 8.334 -9.307 -4.246 1.00 0.00 H new ATOM 0 HB THR A 86 6.329 -7.793 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.583 -6.370 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.912 -7.914 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.304 -9.530 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.939 -9.033 -1.551 1.00 0.00 H new ATOM 1291 N ALA A 87 5.855 -11.102 -3.464 1.00 0.00 N ATOM 1292 CA ALA A 87 5.466 -12.430 -2.913 1.00 0.00 C ATOM 1293 C ALA A 87 5.934 -13.548 -3.849 1.00 0.00 C ATOM 1294 O ALA A 87 6.254 -14.638 -3.420 1.00 0.00 O ATOM 1295 CB ALA A 87 3.939 -12.395 -2.837 1.00 0.00 C ATOM 0 H ALA A 87 5.157 -10.659 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 87 5.917 -12.623 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.573 -13.341 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.626 -11.581 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.529 -12.238 -3.834 1.00 0.00 H new ATOM 1301 N GLY A 88 5.977 -13.283 -5.124 1.00 0.00 N ATOM 1302 CA GLY A 88 6.425 -14.326 -6.090 1.00 0.00 C ATOM 1303 C GLY A 88 5.600 -15.601 -5.896 1.00 0.00 C ATOM 1304 O GLY A 88 6.080 -16.588 -5.374 1.00 0.00 O ATOM 0 H GLY A 88 5.721 -12.388 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.313 -13.961 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.483 -14.541 -5.943 1.00 0.00 H new ATOM 1308 N ALA A 89 4.364 -15.588 -6.315 1.00 0.00 N ATOM 1309 CA ALA A 89 3.507 -16.802 -6.159 1.00 0.00 C ATOM 1310 C ALA A 89 3.766 -17.468 -4.808 1.00 0.00 C ATOM 1311 O ALA A 89 4.119 -18.628 -4.731 1.00 0.00 O ATOM 1312 CB ALA A 89 3.926 -17.728 -7.291 1.00 0.00 C ATOM 0 H ALA A 89 3.909 -14.790 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 89 2.445 -16.560 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.340 -18.646 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.754 -17.234 -8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.985 -17.968 -7.192 1.00 0.00 H new ATOM 1318 N ASP A 90 3.590 -16.741 -3.748 1.00 0.00 N ATOM 1319 CA ASP A 90 3.818 -17.312 -2.399 1.00 0.00 C ATOM 1320 C ASP A 90 2.593 -17.061 -1.527 1.00 0.00 C ATOM 1321 O ASP A 90 2.514 -16.090 -0.800 1.00 0.00 O ATOM 1322 CB ASP A 90 5.034 -16.567 -1.867 1.00 0.00 C ATOM 1323 CG ASP A 90 5.338 -17.028 -0.440 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.562 -17.806 0.088 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.342 -16.593 0.100 1.00 0.00 O ATOM 0 H ASP A 90 3.295 -15.765 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 90 3.982 -18.389 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.895 -16.751 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.849 -15.493 -1.881 1.00 0.00 H new ATOM 1330 N ALA A 91 1.632 -17.930 -1.614 1.00 0.00 N ATOM 1331 CA ALA A 91 0.383 -17.766 -0.812 1.00 0.00 C ATOM 1332 C ALA A 91 0.713 -17.222 0.579 1.00 0.00 C ATOM 1333 O ALA A 91 -0.082 -16.535 1.190 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.211 -19.171 -0.713 1.00 0.00 C ATOM 0 H ALA A 91 1.654 -18.757 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.311 -17.061 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.135 -19.136 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.422 -19.548 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.500 -19.833 -0.219 1.00 0.00 H new ATOM 1340 N ALA A 92 1.883 -17.504 1.077 1.00 0.00 N ATOM 1341 CA ALA A 92 2.263 -16.977 2.417 1.00 0.00 C ATOM 1342 C ALA A 92 2.601 -15.498 2.282 1.00 0.00 C ATOM 1343 O ALA A 92 2.176 -14.671 3.063 1.00 0.00 O ATOM 1344 CB ALA A 92 3.494 -17.783 2.834 1.00 0.00 C ATOM 0 H ALA A 92 2.591 -18.075 0.616 1.00 0.00 H new ATOM 0 HA ALA A 92 1.467 -17.070 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.832 -17.449 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.238 -18.841 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.291 -17.633 2.105 1.00 0.00 H new ATOM 1350 N LYS A 93 3.353 -15.164 1.275 1.00 0.00 N ATOM 1351 CA LYS A 93 3.715 -13.744 1.049 1.00 0.00 C ATOM 1352 C LYS A 93 2.534 -13.010 0.412 1.00 0.00 C ATOM 1353 O LYS A 93 2.376 -11.815 0.560 1.00 0.00 O ATOM 1354 CB LYS A 93 4.896 -13.801 0.086 1.00 0.00 C ATOM 1355 CG LYS A 93 6.200 -13.754 0.878 1.00 0.00 C ATOM 1356 CD LYS A 93 7.384 -13.689 -0.089 1.00 0.00 C ATOM 1357 CE LYS A 93 8.693 -13.780 0.700 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.307 -15.069 0.276 1.00 0.00 N ATOM 0 H LYS A 93 3.735 -15.820 0.594 1.00 0.00 H new ATOM 0 HA LYS A 93 3.963 -13.215 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.851 -14.714 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.851 -12.965 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.207 -12.885 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.284 -14.636 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.324 -14.505 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.353 -12.759 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.348 -12.938 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.509 -13.765 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.051 -15.338 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.577 -15.810 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.722 -14.961 -0.671 1.00 0.00 H new ATOM 1372 N LYS A 94 1.693 -13.722 -0.288 1.00 0.00 N ATOM 1373 CA LYS A 94 0.516 -13.062 -0.919 1.00 0.00 C ATOM 1374 C LYS A 94 -0.529 -12.754 0.153 1.00 0.00 C ATOM 1375 O LYS A 94 -1.323 -11.845 0.022 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.020 -14.076 -1.930 1.00 0.00 C ATOM 1377 CG LYS A 94 0.254 -13.572 -3.349 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.933 -13.912 -4.251 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.480 -14.872 -5.353 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.721 -15.205 -6.106 1.00 0.00 N ATOM 0 H LYS A 94 1.770 -14.726 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 94 0.771 -12.119 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.456 -15.045 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.090 -14.221 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.419 -12.495 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.163 -14.029 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.731 -14.367 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.340 -13.002 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.263 -14.407 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.021 -15.767 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.492 -15.861 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.407 -15.652 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.132 -14.335 -6.500 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.526 -13.504 1.222 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.505 -13.254 2.315 1.00 0.00 C ATOM 1396 C LYS A 95 -0.947 -12.195 3.267 1.00 0.00 C ATOM 1397 O LYS A 95 -1.668 -11.576 4.021 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.654 -14.599 3.027 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.467 -14.823 3.967 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.927 -14.664 5.418 1.00 0.00 C ATOM 1401 CE LYS A 95 0.269 -14.845 6.355 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.193 -15.817 7.385 1.00 0.00 N ATOM 0 H LYS A 95 0.115 -14.281 1.384 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.463 -12.886 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.586 -14.620 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.707 -15.405 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.051 -15.819 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.326 -14.109 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.371 -13.679 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.698 -15.399 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.138 -15.223 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.562 -13.898 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.574 -15.993 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.017 -15.427 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.459 -16.711 6.924 1.00 0.00 H new ATOM 1416 N GLU A 96 0.341 -11.987 3.228 1.00 0.00 N ATOM 1417 CA GLU A 96 0.974 -10.973 4.119 1.00 0.00 C ATOM 1418 C GLU A 96 1.176 -9.668 3.354 1.00 0.00 C ATOM 1419 O GLU A 96 0.925 -8.588 3.850 1.00 0.00 O ATOM 1420 CB GLU A 96 2.319 -11.586 4.498 1.00 0.00 C ATOM 1421 CG GLU A 96 3.240 -11.615 3.288 1.00 0.00 C ATOM 1422 CD GLU A 96 4.619 -12.126 3.715 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.667 -13.084 4.468 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.602 -11.550 3.279 1.00 0.00 O ATOM 0 H GLU A 96 0.987 -12.480 2.612 1.00 0.00 H new ATOM 0 HA GLU A 96 0.368 -10.740 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.778 -11.008 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.172 -12.597 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.823 -12.261 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.326 -10.617 2.858 1.00 0.00 H new ATOM 1431 N LEU A 97 1.638 -9.773 2.147 1.00 0.00 N ATOM 1432 CA LEU A 97 1.876 -8.558 1.320 1.00 0.00 C ATOM 1433 C LEU A 97 0.562 -8.038 0.730 1.00 0.00 C ATOM 1434 O LEU A 97 0.183 -6.906 0.947 1.00 0.00 O ATOM 1435 CB LEU A 97 2.814 -9.028 0.215 1.00 0.00 C ATOM 1436 CG LEU A 97 4.073 -9.622 0.846 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.167 -9.712 -0.208 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.546 -8.726 1.994 1.00 0.00 C ATOM 0 H LEU A 97 1.865 -10.656 1.689 1.00 0.00 H new ATOM 0 HA LEU A 97 2.297 -7.737 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.318 -9.773 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.077 -8.194 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 97 3.851 -10.617 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.067 -10.135 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.832 -10.350 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.386 -8.715 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.444 -9.152 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.769 -7.731 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.762 -8.657 2.748 1.00 0.00 H new ATOM 1450 N THR A 98 -0.130 -8.846 -0.015 1.00 0.00 N ATOM 1451 CA THR A 98 -1.411 -8.377 -0.618 1.00 0.00 C ATOM 1452 C THR A 98 -2.604 -8.785 0.246 1.00 0.00 C ATOM 1453 O THR A 98 -3.720 -8.362 0.016 1.00 0.00 O ATOM 1454 CB THR A 98 -1.482 -9.059 -1.981 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.463 -10.468 -1.807 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.284 -8.628 -2.823 1.00 0.00 C ATOM 0 H THR A 98 0.131 -9.807 -0.234 1.00 0.00 H new ATOM 0 HA THR A 98 -1.445 -7.291 -0.699 1.00 0.00 H new ATOM 0 HB THR A 98 -2.404 -8.772 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.488 -10.680 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.331 -9.113 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.302 -7.546 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.638 -8.916 -2.318 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.387 -9.599 1.238 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.521 -10.016 2.104 1.00 0.00 C ATOM 1466 C GLY A 99 -4.197 -8.772 2.684 1.00 0.00 C ATOM 1467 O GLY A 99 -3.588 -7.983 3.377 1.00 0.00 O ATOM 0 H GLY A 99 -1.479 -9.992 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.239 -10.599 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.162 -10.658 2.909 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.449 -8.582 2.397 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.157 -7.382 2.931 1.00 0.00 C ATOM 1473 C CYS A 100 -6.578 -7.593 4.379 1.00 0.00 C ATOM 1474 O CYS A 100 -6.176 -6.877 5.262 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.411 -7.194 2.080 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.244 -8.018 0.469 1.00 0.00 S ATOM 0 H CYS A 100 -6.016 -9.201 1.818 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.498 -6.515 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.276 -7.596 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.595 -6.130 1.930 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.423 -8.545 4.625 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.897 -8.758 6.021 1.00 0.00 C ATOM 1483 C LYS A 101 -7.113 -9.870 6.726 1.00 0.00 C ATOM 1484 O LYS A 101 -7.556 -10.410 7.720 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.363 -9.155 5.878 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.162 -7.973 5.325 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.403 -8.492 4.596 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.321 -9.205 5.591 1.00 0.00 C ATOM 1489 NZ LYS A 101 -12.582 -10.541 4.986 1.00 0.00 N ATOM 0 H LYS A 101 -7.807 -9.184 3.929 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.758 -7.863 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.455 -10.013 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.764 -9.458 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.456 -7.307 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.544 -7.390 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.933 -7.664 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.110 -9.177 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.846 -9.300 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.248 -8.651 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.206 -11.090 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.040 -10.419 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.682 -11.048 4.863 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.961 -10.220 6.234 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.175 -11.299 6.900 1.00 0.00 C ATOM 1505 C GLY A 102 -3.705 -11.207 6.490 1.00 0.00 C ATOM 1506 O GLY A 102 -3.071 -12.202 6.198 1.00 0.00 O ATOM 0 H GLY A 102 -5.529 -9.811 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.265 -11.210 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.577 -12.274 6.626 1.00 0.00 H new ATOM 1510 N SER A 103 -3.157 -10.023 6.448 1.00 0.00 N ATOM 1511 CA SER A 103 -1.740 -9.878 6.042 1.00 0.00 C ATOM 1512 C SER A 103 -0.946 -9.074 7.070 1.00 0.00 C ATOM 1513 O SER A 103 -1.225 -9.094 8.252 1.00 0.00 O ATOM 1514 CB SER A 103 -1.815 -9.123 4.729 1.00 0.00 C ATOM 1515 OG SER A 103 -1.920 -7.729 4.990 1.00 0.00 O ATOM 0 H SER A 103 -3.634 -9.152 6.679 1.00 0.00 H new ATOM 0 HA SER A 103 -1.235 -10.840 5.958 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.928 -9.326 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.675 -9.462 4.151 1.00 0.00 H new ATOM 0 HG SER A 103 -2.688 -7.362 4.504 1.00 0.00 H new ATOM 1521 N LYS A 104 0.042 -8.359 6.610 1.00 0.00 N ATOM 1522 CA LYS A 104 0.876 -7.533 7.522 1.00 0.00 C ATOM 1523 C LYS A 104 0.441 -6.086 7.405 1.00 0.00 C ATOM 1524 O LYS A 104 0.619 -5.279 8.295 1.00 0.00 O ATOM 1525 CB LYS A 104 2.290 -7.681 6.977 1.00 0.00 C ATOM 1526 CG LYS A 104 2.799 -9.099 7.234 1.00 0.00 C ATOM 1527 CD LYS A 104 3.587 -9.130 8.545 1.00 0.00 C ATOM 1528 CE LYS A 104 4.866 -9.948 8.354 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.145 -10.541 9.691 1.00 0.00 N ATOM 0 H LYS A 104 0.309 -8.312 5.627 1.00 0.00 H new ATOM 0 HA LYS A 104 0.796 -7.834 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.301 -7.469 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.950 -6.956 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.961 -9.794 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.433 -9.424 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.835 -8.115 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.978 -9.567 9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.731 -10.722 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.691 -9.319 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.009 -11.118 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.276 -9.780 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.345 -11.140 9.979 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.106 -5.764 6.277 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.548 -4.379 6.017 1.00 0.00 C ATOM 1545 C CYS A 105 -1.893 -4.106 6.697 1.00 0.00 C ATOM 1546 O CYS A 105 -2.221 -2.980 7.011 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.679 -4.334 4.499 1.00 0.00 C ATOM 1548 SG CYS A 105 0.111 -2.833 3.865 1.00 0.00 S ATOM 0 H CYS A 105 -0.268 -6.416 5.509 1.00 0.00 H new ATOM 0 HA CYS A 105 0.138 -3.626 6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.214 -5.216 4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.731 -4.352 4.214 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.674 -5.124 6.933 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.993 -4.913 7.598 1.00 0.00 C ATOM 1555 C HIS A 106 -4.101 -5.787 8.851 1.00 0.00 C ATOM 1556 O HIS A 106 -4.957 -6.642 8.951 1.00 0.00 O ATOM 1557 CB HIS A 106 -5.031 -5.335 6.560 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.380 -4.159 5.687 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.348 -2.859 6.167 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.718 -4.062 4.353 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.645 -2.039 5.146 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.871 -2.714 4.015 1.00 0.00 N ATOM 0 H HIS A 106 -2.457 -6.092 6.695 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.133 -3.881 7.919 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.640 -6.150 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.926 -5.710 7.057 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.137 -2.576 7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.844 -4.895 3.677 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.695 -0.963 5.229 1.00 0.00 H new ATOM 1570 N SER A 107 -3.237 -5.579 9.806 1.00 0.00 N ATOM 1571 CA SER A 107 -3.291 -6.398 11.051 1.00 0.00 C ATOM 1572 C SER A 107 -4.679 -6.300 11.689 1.00 0.00 C ATOM 1573 O SER A 107 -4.862 -5.437 12.532 1.00 0.00 O ATOM 1574 CB SER A 107 -2.233 -5.789 11.971 1.00 0.00 C ATOM 1575 OG SER A 107 -1.110 -5.390 11.195 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.535 -7.089 11.324 1.00 0.00 O ATOM 0 H SER A 107 -2.496 -4.878 9.779 1.00 0.00 H new ATOM 0 HA SER A 107 -3.105 -7.455 10.859 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.646 -4.931 12.502 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.929 -6.515 12.725 1.00 0.00 H new ATOM 0 HG SER A 107 -0.430 -4.998 11.781 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.306 6.677 3.332 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.846 8.220 5.057 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.502 8.982 4.460 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.796 5.111 1.669 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.124 4.381 2.269 1.00 0.00 C HETATM 1588 NA HEC A 201 9.188 8.255 4.450 1.00 0.00 N HETATM 1589 C1A HEC A 201 8.089 8.734 5.126 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.402 9.814 5.998 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.704 10.039 5.858 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.195 9.099 4.862 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.455 10.980 6.772 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.462 10.505 6.972 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.856 11.758 6.340 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.628 12.992 6.809 1.00 0.00 C HETATM 1597 O1A HEC A 201 8.296 13.598 5.988 1.00 0.00 O HETATM 1598 O2A HEC A 201 7.538 13.312 7.984 1.00 0.00 O HETATM 1599 NB HEC A 201 11.208 6.976 3.114 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.980 7.979 3.655 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.368 7.835 3.282 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.447 6.758 2.484 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.112 6.231 2.385 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.529 8.698 3.742 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.696 6.195 1.822 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.721 5.678 2.833 1.00 0.00 C HETATM 1607 NC HEC A 201 9.442 5.087 2.235 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.549 4.568 1.606 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.228 3.410 0.819 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.908 3.235 0.964 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.429 4.254 1.856 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.183 2.566 -0.010 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.042 2.222 0.256 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.528 0.786 0.463 1.00 0.00 C HETATM 1615 ND HEC A 201 7.410 6.385 3.585 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.644 5.354 3.110 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.287 5.445 3.614 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.217 6.588 4.318 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.525 7.133 4.319 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.205 4.391 3.518 1.00 0.00 C HETATM 1621 CAD HEC A 201 4.026 7.232 5.004 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.314 6.223 5.899 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.382 6.961 6.861 1.00 0.00 C HETATM 1624 O1D HEC A 201 1.733 7.898 6.425 1.00 0.00 O HETATM 1625 O2D HEC A 201 2.330 6.577 8.018 1.00 0.00 O HETATM 0 HMD3 HEC A 201 4.004 4.170 2.470 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.535 3.483 4.023 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.295 4.759 3.992 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.650 3.189 -0.773 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.953 2.146 0.637 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.631 1.757 -0.489 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.355 9.732 3.442 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.615 8.644 4.827 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.452 8.339 3.287 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 10.026 11.979 6.698 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.378 10.627 7.800 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.504 11.013 6.478 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.744 5.521 5.291 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.044 5.640 6.460 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.543 0.686 0.078 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.519 0.549 1.527 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.869 0.099 -0.068 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 16.030 6.493 3.487 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.274 4.883 3.430 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.590 5.289 2.303 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.893 11.684 5.253 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.806 11.846 6.617 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.358 8.083 5.598 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.332 7.616 4.256 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.667 9.820 7.267 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 8.003 10.774 7.879 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.410 3.647 1.897 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.594 4.620 1.112 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.209 9.737 4.804 1.00 0.00 H new HETATM 0 HHA HEC A 201 6.055 8.707 5.627 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.993 8.634 -5.372 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.813 8.145 -8.483 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.922 5.320 -4.902 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.295 9.051 -2.301 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.822 11.952 -5.821 1.00 0.00 C HETATM 1663 NA HEC A 202 2.464 7.115 -6.420 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.887 7.095 -7.652 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.337 5.819 -7.956 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.669 5.013 -6.960 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.398 5.808 -6.036 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.277 3.564 -6.817 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.531 5.416 -9.159 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.558 6.424 -9.528 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.269 5.962 -10.802 1.00 0.00 C HETATM 1672 O1A HEC A 202 -0.962 4.876 -11.267 1.00 0.00 O HETATM 1673 O2A HEC A 202 -2.107 6.701 -11.290 1.00 0.00 O HETATM 1674 NB HEC A 202 3.571 7.456 -3.978 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.486 6.083 -3.947 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.914 5.528 -2.713 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.267 6.554 -1.945 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.073 7.765 -2.733 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.922 4.058 -2.331 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.699 6.356 -0.514 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.216 6.278 -0.356 1.00 0.00 C HETATM 1682 NC HEC A 202 3.484 10.160 -4.307 1.00 0.00 N HETATM 1683 C1C HEC A 202 4.039 10.183 -3.048 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.233 11.545 -2.594 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.737 12.334 -3.581 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.320 11.475 -4.636 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.879 11.989 -1.292 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.509 13.831 -3.621 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.149 14.601 -2.468 1.00 0.00 C HETATM 1690 ND HEC A 202 2.416 9.791 -6.821 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.410 11.165 -6.871 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.137 11.630 -8.220 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.999 10.526 -8.983 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.091 9.418 -8.100 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.048 13.060 -8.714 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.987 10.382 -10.494 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.285 10.923 -11.090 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.072 11.255 -12.568 1.00 0.00 C HETATM 1699 O1D HEC A 202 3.048 12.431 -12.893 1.00 0.00 O HETATM 1700 O2D HEC A 202 2.935 10.329 -13.349 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.254 13.581 -8.179 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.997 13.566 -8.537 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.829 13.063 -9.782 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.317 11.584 -0.450 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.906 11.625 -1.252 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.878 13.078 -1.238 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.907 3.664 -2.379 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.558 3.506 -3.023 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.307 3.948 -1.317 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.191 3.482 -6.786 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.659 2.998 -7.667 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.698 3.162 -5.895 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.602 11.814 -10.549 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.081 10.186 -10.984 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.742 14.244 -1.522 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.228 14.445 -2.481 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 3.935 15.664 -2.577 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.600 5.439 -0.937 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.667 7.204 -0.713 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.465 6.135 0.695 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.275 6.517 -8.712 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.119 7.410 -9.681 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.864 9.333 -10.765 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.136 10.921 -10.910 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.201 5.289 -10.009 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 0.069 4.447 -8.969 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.747 13.033 -5.939 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.702 9.186 -1.299 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.889 4.242 -4.744 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.515 7.968 -9.516 1.00 0.00 H new HETATM 0 HAC HEC A 202 2.935 14.319 -4.409 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.763 -3.377 2.129 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.655 -5.985 4.068 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.524 -2.389 4.440 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.049 -0.629 0.312 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.103 -4.267 -0.149 1.00 0.00 C HETATM 1738 NA HEC A 203 5.207 -4.043 3.869 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.667 -5.153 4.539 1.00 0.00 C HETATM 1740 C2A HEC A 203 4.942 -5.350 5.771 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.039 -4.361 5.856 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.217 -3.545 4.686 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.016 -4.176 6.963 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.110 -6.459 6.789 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.580 -6.856 6.940 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.869 -7.198 8.402 1.00 0.00 C HETATM 1747 O1A HEC A 203 8.032 -7.356 8.735 1.00 0.00 O HETATM 1748 O2A HEC A 203 5.922 -7.296 9.165 1.00 0.00 O HETATM 1749 NB HEC A 203 4.611 -1.821 2.366 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.735 -1.562 3.386 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.044 -0.310 3.205 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.487 0.179 2.039 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.457 -0.749 1.534 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.014 0.310 4.134 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.929 1.331 1.243 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.830 2.574 1.208 1.00 0.00 C HETATM 1757 NC HEC A 203 6.383 -2.651 0.436 1.00 0.00 N HETATM 1758 C1C HEC A 203 5.946 -1.519 -0.207 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.583 -1.350 -1.482 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.440 -2.377 -1.613 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.332 -3.166 -0.415 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.327 -0.229 -2.476 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.333 -2.645 -2.804 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.894 -1.327 -3.337 1.00 0.00 C HETATM 1765 ND HEC A 203 7.054 -4.837 1.968 1.00 0.00 N HETATM 1766 C1D HEC A 203 7.981 -5.049 0.972 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.832 -6.175 1.278 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.401 -6.674 2.446 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.305 -5.841 2.870 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.031 -6.670 0.491 1.00 0.00 C HETATM 1771 CAD HEC A 203 8.979 -7.873 3.177 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.632 -9.175 2.452 1.00 0.00 C HETATM 1773 CGD HEC A 203 9.017 -10.367 3.331 1.00 0.00 C HETATM 1774 O1D HEC A 203 8.197 -11.259 3.476 1.00 0.00 O HETATM 1775 O2D HEC A 203 10.124 -10.367 3.843 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.717 -6.944 -0.516 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.781 -5.881 0.436 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.457 -7.542 0.987 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.280 -0.243 -2.778 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.558 0.729 -2.011 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 6.960 -0.369 -3.353 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.164 -0.364 4.236 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.462 0.479 5.113 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.676 1.260 3.720 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.363 -5.048 7.005 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.530 -4.061 7.918 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.420 -3.286 6.763 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.566 -9.205 2.227 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.161 -9.226 1.500 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.072 -0.678 -3.641 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.474 -0.836 -2.555 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.537 -1.525 -4.195 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.989 2.937 2.223 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.790 2.315 0.761 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.352 3.353 0.614 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.803 -7.713 6.304 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.224 -6.040 6.612 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.062 -7.771 3.251 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.591 -7.905 4.195 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.718 -6.134 7.753 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.526 -7.327 6.484 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.866 -4.541 -0.878 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.788 0.239 -0.294 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.742 -2.112 5.147 1.00 0.00 H new HETATM 0 HHA HEC A 203 6.944 -6.826 4.698 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.837 -1.760 2.077 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.509 1.232 3.480 1.00 0.00 C HETATM 1810 CHB HEC A 204 -9.087 -2.175 1.379 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.127 -4.835 0.901 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.541 -1.192 2.524 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.439 -0.763 2.459 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.553 0.460 3.082 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.900 0.933 3.128 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.648 -0.007 2.518 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.735 -1.061 2.106 1.00 0.00 C HETATM 1818 CMA HEC A 204 -11.140 0.081 2.237 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.338 2.278 3.693 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.194 3.034 2.679 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.518 4.429 3.219 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.227 5.393 2.528 1.00 0.00 O HETATM 1823 O2A HEC A 204 -11.050 4.510 4.313 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.869 -3.169 1.287 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.208 -3.152 0.964 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.568 -4.299 0.164 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.448 -5.040 0.076 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.414 -4.358 0.782 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.926 -4.604 -0.450 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.273 -6.449 -0.425 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.796 -6.469 -1.873 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.212 -2.760 1.730 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.089 -4.070 1.332 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.725 -4.530 1.411 1.00 0.00 C HETATM 1835 C3C HEC A 204 -2.016 -3.480 1.846 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.923 -2.390 2.001 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.199 -5.918 1.090 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.586 -3.431 2.310 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.424 -3.306 1.169 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.771 -0.302 2.786 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.404 -0.201 2.874 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.989 1.055 3.444 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.120 1.720 3.720 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.207 0.882 3.325 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.564 1.532 3.675 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.249 3.107 4.307 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.875 3.105 5.788 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.668 4.196 6.511 1.00 0.00 C HETATM 1849 O1D HEC A 204 -5.639 3.860 7.165 1.00 0.00 O HETATM 1850 O2D HEC A 204 -4.287 5.350 6.397 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.053 0.841 4.346 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.035 1.571 2.723 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.581 2.526 4.122 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.681 -6.649 1.740 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.417 -6.158 0.049 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.121 -5.945 1.250 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.673 -4.683 0.340 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.204 -3.802 -1.134 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.875 -5.546 -0.997 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.681 0.191 3.177 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.340 0.943 1.600 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.469 -0.827 1.733 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.090 2.131 6.228 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.805 3.279 5.905 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.328 -4.163 0.502 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.232 -2.389 0.612 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.434 -3.276 1.578 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.528 -5.966 -2.504 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.838 -5.954 -1.948 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.680 -7.501 -2.204 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.665 3.114 1.729 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -11.115 2.485 2.485 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.603 3.798 3.765 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.271 3.465 4.186 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -9.903 2.126 4.612 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.462 2.872 3.952 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.475 -1.016 2.671 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.932 -5.874 0.637 1.00 0.00 H new HETATM 0 HHB HEC A 204 -10.137 -2.293 1.112 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.730 2.189 3.952 1.00 0.00 H new