USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=22 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 65:sc= 0.412 USER MOD Set 1.2: A 78 SER OG : rot -178:sc= 0.136 USER MOD Set 2.1: A 44 GLN : amide:sc= -6.81! C(o=-6.2!,f=-14!) USER MOD Set 2.2: A 48 THR OG1 : rot -152:sc= 0.619 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+ -119:sc= -0.064 (180deg=-0.587) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -178:sc= -11.5! (180deg=-12.1!) USER MOD Single : A 14 THR OG1 : rot 41: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 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -7.17! C(o=-7.2!,f=-5.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 82:sc= -1.02! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0728 K(o=-0.073,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= -0.1 (180deg=-1.08) USER MOD Single : A 43 TYR OH : rot 39:sc= 0.743 USER MOD Single : A 54 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.099) USER MOD Single : A 55 MET CE :methyl -138:sc= -2.75! (180deg=-5.17!) 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+ -121:sc= -0.0003 (180deg=-0.133) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 159:sc= -2.35! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -14.2! C(o=-14!,f=-27!) USER MOD Single : A 69 MET CE :methyl 179:sc= -2.87 (180deg=-2.97) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 94:sc= 0.355 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= 0.498 (180deg=0.371) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0.00751 (180deg=0.00751) USER MOD Single : A 98 THR OG1 : rot 23:sc= 0.374 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -156:sc= 0.624 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -28:sc= 0.674 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.608 14.379 1.197 1.00 0.00 N ATOM 2 CA ALA A 1 19.731 13.160 2.046 1.00 0.00 C ATOM 3 C ALA A 1 18.602 13.119 3.079 1.00 0.00 C ATOM 4 O ALA A 1 18.714 13.692 4.145 1.00 0.00 O ATOM 5 CB ALA A 1 21.087 13.294 2.737 1.00 0.00 C ATOM 0 H1 ALA A 1 20.380 14.396 0.500 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.694 14.366 0.701 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.665 15.227 1.797 1.00 0.00 H new ATOM 0 HA ALA A 1 19.660 12.242 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.253 12.432 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.875 13.342 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.102 14.204 3.336 1.00 0.00 H new ATOM 13 N PRO A 2 17.547 12.437 2.724 1.00 0.00 N ATOM 14 CA PRO A 2 16.378 12.312 3.629 1.00 0.00 C ATOM 15 C PRO A 2 16.693 11.378 4.796 1.00 0.00 C ATOM 16 O PRO A 2 17.400 10.400 4.647 1.00 0.00 O ATOM 17 CB PRO A 2 15.298 11.706 2.740 1.00 0.00 C ATOM 18 CG PRO A 2 16.042 10.992 1.658 1.00 0.00 C ATOM 19 CD PRO A 2 17.345 11.723 1.459 1.00 0.00 C ATOM 0 HA PRO A 2 16.084 13.264 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.664 11.020 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.647 12.477 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.222 9.953 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.462 10.980 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.163 11.032 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.292 12.412 0.616 1.00 0.00 H new ATOM 27 N LYS A 3 16.163 11.660 5.952 1.00 0.00 N ATOM 28 CA LYS A 3 16.423 10.774 7.118 1.00 0.00 C ATOM 29 C LYS A 3 15.191 9.925 7.410 1.00 0.00 C ATOM 30 O LYS A 3 14.348 10.277 8.210 1.00 0.00 O ATOM 31 CB LYS A 3 16.703 11.701 8.286 1.00 0.00 C ATOM 32 CG LYS A 3 17.728 12.760 7.872 1.00 0.00 C ATOM 33 CD LYS A 3 17.892 13.780 9.000 1.00 0.00 C ATOM 34 CE LYS A 3 18.733 14.959 8.503 1.00 0.00 C ATOM 35 NZ LYS A 3 17.974 16.172 8.914 1.00 0.00 N ATOM 0 H LYS A 3 15.563 12.463 6.139 1.00 0.00 H new ATOM 0 HA LYS A 3 17.256 10.096 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.780 12.182 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.079 11.129 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.686 12.288 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.402 13.260 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.915 14.131 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.373 13.313 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.729 14.948 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.864 14.923 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.488 17.023 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.032 16.159 8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.871 16.183 9.949 1.00 0.00 H new ATOM 49 N ALA A 4 15.090 8.812 6.760 1.00 0.00 N ATOM 50 CA ALA A 4 13.920 7.914 6.975 1.00 0.00 C ATOM 51 C ALA A 4 13.554 7.867 8.460 1.00 0.00 C ATOM 52 O ALA A 4 14.419 7.844 9.314 1.00 0.00 O ATOM 53 CB ALA A 4 14.380 6.538 6.493 1.00 0.00 C ATOM 0 H ALA A 4 15.772 8.476 6.080 1.00 0.00 H new ATOM 0 HA ALA A 4 13.034 8.257 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.571 5.819 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.654 6.594 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.244 6.218 7.076 1.00 0.00 H new ATOM 59 N PRO A 5 12.274 7.854 8.717 1.00 0.00 N ATOM 60 CA PRO A 5 11.778 7.808 10.104 1.00 0.00 C ATOM 61 C PRO A 5 11.838 6.383 10.654 1.00 0.00 C ATOM 62 O PRO A 5 11.956 5.423 9.919 1.00 0.00 O ATOM 63 CB PRO A 5 10.343 8.310 9.990 1.00 0.00 C ATOM 64 CG PRO A 5 9.930 8.058 8.569 1.00 0.00 C ATOM 65 CD PRO A 5 11.184 7.878 7.741 1.00 0.00 C ATOM 0 HA PRO A 5 12.372 8.408 10.793 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.689 7.784 10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.280 9.371 10.233 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.302 7.169 8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.340 8.893 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.148 6.954 7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.308 8.693 7.029 1.00 0.00 H new ATOM 73 N ALA A 6 11.769 6.245 11.947 1.00 0.00 N ATOM 74 CA ALA A 6 11.836 4.897 12.562 1.00 0.00 C ATOM 75 C ALA A 6 10.751 3.992 11.988 1.00 0.00 C ATOM 76 O ALA A 6 9.796 4.442 11.386 1.00 0.00 O ATOM 77 CB ALA A 6 11.603 5.132 14.055 1.00 0.00 C ATOM 0 H ALA A 6 11.668 7.016 12.607 1.00 0.00 H new ATOM 0 HA ALA A 6 12.789 4.405 12.368 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.637 4.179 14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.379 5.791 14.445 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.627 5.594 14.203 1.00 0.00 H new ATOM 83 N ASP A 7 10.894 2.717 12.182 1.00 0.00 N ATOM 84 CA ASP A 7 9.887 1.756 11.669 1.00 0.00 C ATOM 85 C ASP A 7 8.632 1.819 12.536 1.00 0.00 C ATOM 86 O ASP A 7 8.650 2.323 13.641 1.00 0.00 O ATOM 87 CB ASP A 7 10.555 0.387 11.789 1.00 0.00 C ATOM 88 CG ASP A 7 11.996 0.474 11.283 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.279 1.375 10.510 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.792 -0.363 11.676 1.00 0.00 O ATOM 0 H ASP A 7 11.676 2.293 12.681 1.00 0.00 H new ATOM 0 HA ASP A 7 9.583 1.970 10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.543 0.055 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.000 -0.352 11.211 1.00 0.00 H new ATOM 95 N GLY A 8 7.547 1.308 12.045 1.00 0.00 N ATOM 96 CA GLY A 8 6.286 1.330 12.835 1.00 0.00 C ATOM 97 C GLY A 8 5.439 2.535 12.428 1.00 0.00 C ATOM 98 O GLY A 8 4.510 2.911 13.115 1.00 0.00 O ATOM 0 H GLY A 8 7.474 0.872 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.727 0.409 12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.514 1.378 13.900 1.00 0.00 H new ATOM 102 N LEU A 9 5.742 3.141 11.313 1.00 0.00 N ATOM 103 CA LEU A 9 4.936 4.314 10.871 1.00 0.00 C ATOM 104 C LEU A 9 3.495 3.881 10.657 1.00 0.00 C ATOM 105 O LEU A 9 3.215 2.985 9.891 1.00 0.00 O ATOM 106 CB LEU A 9 5.552 4.769 9.552 1.00 0.00 C ATOM 107 CG LEU A 9 5.752 6.282 9.591 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.018 6.640 8.814 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.549 6.984 8.953 1.00 0.00 C ATOM 0 H LEU A 9 6.507 2.877 10.693 1.00 0.00 H new ATOM 0 HA LEU A 9 4.940 5.118 11.607 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.506 4.267 9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.903 4.497 8.720 1.00 0.00 H new ATOM 0 HG LEU A 9 5.848 6.607 10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.167 7.720 8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.876 6.145 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.916 6.311 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.699 8.063 8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.447 6.662 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.644 6.727 9.503 1.00 0.00 H new ATOM 121 N LYS A 10 2.577 4.499 11.331 1.00 0.00 N ATOM 122 CA LYS A 10 1.157 4.095 11.158 1.00 0.00 C ATOM 123 C LYS A 10 0.425 5.049 10.219 1.00 0.00 C ATOM 124 O LYS A 10 0.206 6.203 10.528 1.00 0.00 O ATOM 125 CB LYS A 10 0.545 4.147 12.552 1.00 0.00 C ATOM 126 CG LYS A 10 0.377 2.722 13.084 1.00 0.00 C ATOM 127 CD LYS A 10 -0.765 2.686 14.102 1.00 0.00 C ATOM 128 CE LYS A 10 -0.502 3.721 15.201 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.089 3.128 16.435 1.00 0.00 N ATOM 0 H LYS A 10 2.742 5.260 11.990 1.00 0.00 H new ATOM 0 HA LYS A 10 1.078 3.102 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.184 4.724 13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.421 4.651 12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.166 2.038 12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.303 2.385 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.714 2.897 13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.847 1.690 14.537 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.565 3.907 15.321 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.967 4.677 14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.949 3.779 17.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.107 2.968 16.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.622 2.222 16.641 1.00 0.00 H new ATOM 143 N MET A 11 0.025 4.560 9.082 1.00 0.00 N ATOM 144 CA MET A 11 -0.723 5.413 8.121 1.00 0.00 C ATOM 145 C MET A 11 -2.208 5.327 8.451 1.00 0.00 C ATOM 146 O MET A 11 -2.854 4.340 8.173 1.00 0.00 O ATOM 147 CB MET A 11 -0.441 4.832 6.730 1.00 0.00 C ATOM 148 CG MET A 11 -0.418 3.305 6.786 1.00 0.00 C ATOM 149 SD MET A 11 1.297 2.728 6.807 1.00 0.00 S ATOM 150 CE MET A 11 1.622 2.929 5.038 1.00 0.00 C ATOM 0 H MET A 11 0.185 3.601 8.775 1.00 0.00 H new ATOM 0 HA MET A 11 -0.424 6.460 8.167 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.205 5.165 6.028 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.515 5.203 6.361 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.942 2.955 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.942 2.891 5.924 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.634 2.592 4.813 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.907 2.337 4.467 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.521 3.980 4.767 1.00 0.00 H new ATOM 160 N ASP A 12 -2.747 6.340 9.067 1.00 0.00 N ATOM 161 CA ASP A 12 -4.193 6.297 9.436 1.00 0.00 C ATOM 162 C ASP A 12 -5.002 7.254 8.567 1.00 0.00 C ATOM 163 O ASP A 12 -6.116 7.615 8.892 1.00 0.00 O ATOM 164 CB ASP A 12 -4.242 6.731 10.897 1.00 0.00 C ATOM 165 CG ASP A 12 -3.282 7.900 11.128 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.084 7.674 11.086 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.762 9.002 11.341 1.00 0.00 O ATOM 0 H ASP A 12 -2.254 7.193 9.331 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.621 5.306 9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.257 7.025 11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.972 5.895 11.543 1.00 0.00 H new ATOM 172 N LYS A 13 -4.455 7.659 7.464 1.00 0.00 N ATOM 173 CA LYS A 13 -5.192 8.586 6.566 1.00 0.00 C ATOM 174 C LYS A 13 -6.604 8.056 6.309 1.00 0.00 C ATOM 175 O LYS A 13 -7.531 8.807 6.079 1.00 0.00 O ATOM 176 CB LYS A 13 -4.379 8.586 5.278 1.00 0.00 C ATOM 177 CG LYS A 13 -3.163 9.496 5.449 1.00 0.00 C ATOM 178 CD LYS A 13 -3.630 10.934 5.673 1.00 0.00 C ATOM 179 CE LYS A 13 -2.469 11.896 5.413 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.183 12.519 6.736 1.00 0.00 N ATOM 0 H LYS A 13 -3.526 7.389 7.141 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.302 9.585 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.058 7.573 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.993 8.932 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.561 9.162 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.528 9.442 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.463 11.165 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.994 11.054 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.597 11.368 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.738 12.649 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.397 13.193 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.029 13.020 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.923 11.779 7.419 1.00 0.00 H new ATOM 194 N THR A 14 -6.769 6.764 6.348 1.00 0.00 N ATOM 195 CA THR A 14 -8.120 6.172 6.105 1.00 0.00 C ATOM 196 C THR A 14 -8.631 5.466 7.364 1.00 0.00 C ATOM 197 O THR A 14 -7.958 5.407 8.374 1.00 0.00 O ATOM 198 CB THR A 14 -7.917 5.163 4.974 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.768 4.375 5.242 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.731 5.909 3.653 1.00 0.00 C ATOM 0 H THR A 14 -6.028 6.089 6.538 1.00 0.00 H new ATOM 0 HA THR A 14 -8.857 6.932 5.848 1.00 0.00 H new ATOM 0 HB THR A 14 -8.791 4.515 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.741 4.150 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.586 5.190 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.616 6.511 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.858 6.558 3.722 1.00 0.00 H new ATOM 208 N LYS A 15 -9.819 4.924 7.308 1.00 0.00 N ATOM 209 CA LYS A 15 -10.377 4.217 8.497 1.00 0.00 C ATOM 210 C LYS A 15 -9.530 2.984 8.813 1.00 0.00 C ATOM 211 O LYS A 15 -9.498 2.511 9.932 1.00 0.00 O ATOM 212 CB LYS A 15 -11.792 3.807 8.086 1.00 0.00 C ATOM 213 CG LYS A 15 -12.796 4.824 8.631 1.00 0.00 C ATOM 214 CD LYS A 15 -13.479 5.542 7.465 1.00 0.00 C ATOM 215 CE LYS A 15 -13.921 6.937 7.911 1.00 0.00 C ATOM 216 NZ LYS A 15 -13.868 7.770 6.677 1.00 0.00 N ATOM 0 H LYS A 15 -10.427 4.941 6.489 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.380 4.841 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.866 3.754 7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.020 2.813 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.540 4.321 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.288 5.547 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.794 5.619 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.341 4.967 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.927 6.917 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.261 7.332 8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.158 8.743 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.897 7.776 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.511 7.373 5.963 1.00 0.00 H new ATOM 230 N GLN A 16 -8.838 2.468 7.836 1.00 0.00 N ATOM 231 CA GLN A 16 -7.983 1.272 8.076 1.00 0.00 C ATOM 232 C GLN A 16 -6.515 1.697 8.141 1.00 0.00 C ATOM 233 O GLN A 16 -5.800 1.611 7.164 1.00 0.00 O ATOM 234 CB GLN A 16 -8.228 0.358 6.875 1.00 0.00 C ATOM 235 CG GLN A 16 -9.389 -0.590 7.183 1.00 0.00 C ATOM 236 CD GLN A 16 -9.361 -1.766 6.206 1.00 0.00 C ATOM 237 OE1 GLN A 16 -8.688 -2.750 6.441 1.00 0.00 O ATOM 238 NE2 GLN A 16 -10.068 -1.705 5.111 1.00 0.00 N ATOM 0 H GLN A 16 -8.828 2.823 6.880 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.217 0.770 9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.456 0.954 5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.328 -0.214 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.314 -0.953 8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.337 -0.059 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.633 -0.879 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.056 -2.483 4.452 1.00 0.00 H new ATOM 247 N PRO A 17 -6.120 2.152 9.298 1.00 0.00 N ATOM 248 CA PRO A 17 -4.723 2.612 9.504 1.00 0.00 C ATOM 249 C PRO A 17 -3.739 1.443 9.416 1.00 0.00 C ATOM 250 O PRO A 17 -3.965 0.381 9.963 1.00 0.00 O ATOM 251 CB PRO A 17 -4.746 3.212 10.908 1.00 0.00 C ATOM 252 CG PRO A 17 -5.898 2.544 11.587 1.00 0.00 C ATOM 253 CD PRO A 17 -6.923 2.279 10.517 1.00 0.00 C ATOM 0 HA PRO A 17 -4.396 3.324 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.811 3.022 11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.879 4.293 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.583 1.615 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.309 3.180 12.371 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.490 1.371 10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.643 3.094 10.440 1.00 0.00 H new ATOM 261 N VAL A 18 -2.652 1.638 8.723 1.00 0.00 N ATOM 262 CA VAL A 18 -1.643 0.556 8.580 1.00 0.00 C ATOM 263 C VAL A 18 -0.297 1.002 9.156 1.00 0.00 C ATOM 264 O VAL A 18 -0.046 2.176 9.339 1.00 0.00 O ATOM 265 CB VAL A 18 -1.533 0.343 7.073 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.266 -0.449 6.765 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.753 -0.437 6.578 1.00 0.00 C ATOM 0 H VAL A 18 -2.419 2.509 8.246 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.925 -0.353 9.112 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.491 1.309 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.185 -0.602 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.604 0.104 7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.310 -1.416 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.675 -0.590 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.795 -1.404 7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.659 0.126 6.800 1.00 0.00 H new ATOM 277 N VAL A 19 0.573 0.073 9.440 1.00 0.00 N ATOM 278 CA VAL A 19 1.906 0.439 9.999 1.00 0.00 C ATOM 279 C VAL A 19 3.006 0.148 8.973 1.00 0.00 C ATOM 280 O VAL A 19 3.190 -0.979 8.554 1.00 0.00 O ATOM 281 CB VAL A 19 2.072 -0.456 11.227 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.456 -0.232 11.839 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.996 -0.113 12.258 1.00 0.00 C ATOM 0 H VAL A 19 0.419 -0.927 9.309 1.00 0.00 H new ATOM 0 HA VAL A 19 1.976 1.498 10.249 1.00 0.00 H new ATOM 0 HB VAL A 19 1.971 -1.500 10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.574 -0.870 12.715 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.223 -0.478 11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.558 0.812 12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.114 -0.751 13.134 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.095 0.931 12.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.010 -0.274 11.822 1.00 0.00 H new ATOM 293 N PHE A 20 3.746 1.145 8.566 1.00 0.00 N ATOM 294 CA PHE A 20 4.832 0.903 7.571 1.00 0.00 C ATOM 295 C PHE A 20 6.191 0.859 8.267 1.00 0.00 C ATOM 296 O PHE A 20 6.617 1.819 8.878 1.00 0.00 O ATOM 297 CB PHE A 20 4.789 2.078 6.594 1.00 0.00 C ATOM 298 CG PHE A 20 5.851 1.868 5.541 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.784 0.754 4.697 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.910 2.776 5.415 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.772 0.549 3.727 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.897 2.569 4.444 1.00 0.00 C ATOM 303 CZ PHE A 20 7.828 1.457 3.601 1.00 0.00 C ATOM 0 H PHE A 20 3.647 2.111 8.877 1.00 0.00 H new ATOM 0 HA PHE A 20 4.690 -0.050 7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.805 2.149 6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.960 3.016 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.969 0.052 4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.965 3.635 6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.719 -0.311 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.713 3.270 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.590 1.299 2.852 1.00 0.00 H new ATOM 313 N ASN A 21 6.881 -0.240 8.168 1.00 0.00 N ATOM 314 CA ASN A 21 8.211 -0.341 8.807 1.00 0.00 C ATOM 315 C ASN A 21 9.297 -0.096 7.758 1.00 0.00 C ATOM 316 O ASN A 21 9.659 -0.984 7.011 1.00 0.00 O ATOM 317 CB ASN A 21 8.271 -1.774 9.319 1.00 0.00 C ATOM 318 CG ASN A 21 8.312 -1.780 10.847 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.252 -2.274 11.438 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.326 -1.249 11.517 1.00 0.00 N ATOM 0 H ASN A 21 6.576 -1.075 7.668 1.00 0.00 H new ATOM 0 HA ASN A 21 8.364 0.386 9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.403 -2.331 8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.154 -2.275 8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.344 -1.249 12.537 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.537 -0.834 11.021 1.00 0.00 H new ATOM 327 N HIS A 22 9.816 1.098 7.687 1.00 0.00 N ATOM 328 CA HIS A 22 10.870 1.384 6.675 1.00 0.00 C ATOM 329 C HIS A 22 11.946 0.300 6.735 1.00 0.00 C ATOM 330 O HIS A 22 12.529 -0.065 5.733 1.00 0.00 O ATOM 331 CB HIS A 22 11.451 2.738 7.073 1.00 0.00 C ATOM 332 CG HIS A 22 10.620 3.850 6.486 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.797 4.644 7.270 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.508 4.343 5.207 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.241 5.568 6.469 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.641 5.432 5.203 1.00 0.00 N ATOM 0 H HIS A 22 9.557 1.884 8.283 1.00 0.00 H new ATOM 0 HA HIS A 22 10.479 1.399 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.476 2.827 8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.480 2.818 6.723 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.642 4.545 8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.015 3.946 4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.554 6.329 6.808 1.00 0.00 H new ATOM 344 N SER A 23 12.208 -0.228 7.900 1.00 0.00 N ATOM 345 CA SER A 23 13.240 -1.296 8.015 1.00 0.00 C ATOM 346 C SER A 23 12.959 -2.392 6.985 1.00 0.00 C ATOM 347 O SER A 23 13.852 -2.887 6.329 1.00 0.00 O ATOM 348 CB SER A 23 13.093 -1.841 9.436 1.00 0.00 C ATOM 349 OG SER A 23 13.186 -3.259 9.406 1.00 0.00 O ATOM 0 H SER A 23 11.753 0.034 8.775 1.00 0.00 H new ATOM 0 HA SER A 23 14.249 -0.927 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.870 -1.427 10.079 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.135 -1.537 9.858 1.00 0.00 H new ATOM 0 HG SER A 23 13.094 -3.612 10.315 1.00 0.00 H new ATOM 355 N THR A 24 11.717 -2.764 6.835 1.00 0.00 N ATOM 356 CA THR A 24 11.368 -3.818 5.840 1.00 0.00 C ATOM 357 C THR A 24 11.465 -3.244 4.426 1.00 0.00 C ATOM 358 O THR A 24 11.305 -3.946 3.447 1.00 0.00 O ATOM 359 CB THR A 24 9.926 -4.212 6.163 1.00 0.00 C ATOM 360 OG1 THR A 24 9.437 -3.398 7.220 1.00 0.00 O ATOM 361 CG2 THR A 24 9.880 -5.681 6.588 1.00 0.00 C ATOM 0 H THR A 24 10.929 -2.384 7.359 1.00 0.00 H new ATOM 0 HA THR A 24 12.039 -4.676 5.888 1.00 0.00 H new ATOM 0 HB THR A 24 9.305 -4.070 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.138 -2.537 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.852 -5.961 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.254 -6.306 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.501 -5.824 7.472 1.00 0.00 H new ATOM 369 N HIS A 25 11.713 -1.969 4.315 1.00 0.00 N ATOM 370 CA HIS A 25 11.807 -1.338 2.979 1.00 0.00 C ATOM 371 C HIS A 25 13.160 -0.646 2.804 1.00 0.00 C ATOM 372 O HIS A 25 13.513 -0.221 1.722 1.00 0.00 O ATOM 373 CB HIS A 25 10.667 -0.333 2.981 1.00 0.00 C ATOM 374 CG HIS A 25 9.388 -1.076 3.232 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.915 -1.320 4.512 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.494 -1.670 2.382 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.785 -2.037 4.396 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.485 -2.279 3.118 1.00 0.00 N ATOM 0 H HIS A 25 11.855 -1.336 5.102 1.00 0.00 H new ATOM 0 HA HIS A 25 11.733 -2.052 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.826 0.421 3.752 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.621 0.192 2.027 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.346 -1.011 5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.563 -1.666 1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.193 -2.376 5.233 1.00 0.00 H new ATOM 386 N LYS A 26 13.925 -0.539 3.855 1.00 0.00 N ATOM 387 CA LYS A 26 15.257 0.114 3.732 1.00 0.00 C ATOM 388 C LYS A 26 16.011 -0.491 2.547 1.00 0.00 C ATOM 389 O LYS A 26 16.892 0.122 1.977 1.00 0.00 O ATOM 390 CB LYS A 26 15.975 -0.192 5.046 1.00 0.00 C ATOM 391 CG LYS A 26 16.383 -1.667 5.075 1.00 0.00 C ATOM 392 CD LYS A 26 17.171 -1.953 6.355 1.00 0.00 C ATOM 393 CE LYS A 26 17.404 -3.458 6.485 1.00 0.00 C ATOM 394 NZ LYS A 26 18.015 -3.636 7.832 1.00 0.00 N ATOM 0 H LYS A 26 13.687 -0.874 4.789 1.00 0.00 H new ATOM 0 HA LYS A 26 15.186 1.188 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.856 0.442 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.322 0.032 5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.498 -2.301 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.989 -1.905 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.126 -1.427 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.624 -1.583 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.469 -4.011 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.065 -3.825 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.205 -4.645 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.907 -3.103 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.360 -3.284 8.559 1.00 0.00 H new ATOM 408 N ALA A 27 15.660 -1.690 2.168 1.00 0.00 N ATOM 409 CA ALA A 27 16.340 -2.341 1.013 1.00 0.00 C ATOM 410 C ALA A 27 15.584 -2.025 -0.279 1.00 0.00 C ATOM 411 O ALA A 27 16.028 -2.340 -1.365 1.00 0.00 O ATOM 412 CB ALA A 27 16.287 -3.840 1.314 1.00 0.00 C ATOM 0 H ALA A 27 14.929 -2.248 2.610 1.00 0.00 H new ATOM 0 HA ALA A 27 17.364 -1.991 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.770 -4.391 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.806 -4.041 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.248 -4.157 1.399 1.00 0.00 H new ATOM 418 N VAL A 28 14.448 -1.390 -0.168 1.00 0.00 N ATOM 419 CA VAL A 28 13.664 -1.039 -1.385 1.00 0.00 C ATOM 420 C VAL A 28 14.230 0.235 -1.995 1.00 0.00 C ATOM 421 O VAL A 28 15.138 0.838 -1.459 1.00 0.00 O ATOM 422 CB VAL A 28 12.235 -0.812 -0.890 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.398 -0.165 -1.994 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.611 -2.152 -0.502 1.00 0.00 C ATOM 0 H VAL A 28 14.029 -1.099 0.715 1.00 0.00 H new ATOM 0 HA VAL A 28 13.701 -1.815 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 28 12.258 -0.152 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.381 -0.006 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.839 0.793 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.376 -0.820 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.592 -1.990 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.594 -2.811 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.201 -2.612 0.291 1.00 0.00 H new ATOM 434 N LYS A 29 13.708 0.660 -3.104 1.00 0.00 N ATOM 435 CA LYS A 29 14.234 1.902 -3.717 1.00 0.00 C ATOM 436 C LYS A 29 13.485 3.107 -3.174 1.00 0.00 C ATOM 437 O LYS A 29 12.358 3.374 -3.535 1.00 0.00 O ATOM 438 CB LYS A 29 13.995 1.770 -5.210 1.00 0.00 C ATOM 439 CG LYS A 29 15.341 1.709 -5.929 1.00 0.00 C ATOM 440 CD LYS A 29 15.712 0.250 -6.200 1.00 0.00 C ATOM 441 CE LYS A 29 16.342 0.133 -7.590 1.00 0.00 C ATOM 442 NZ LYS A 29 17.376 -0.932 -7.455 1.00 0.00 N ATOM 0 H LYS A 29 12.947 0.206 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 29 15.292 2.041 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.416 0.871 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.413 2.617 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.289 2.262 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.111 2.184 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.410 -0.106 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.825 -0.380 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.597 -0.133 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.787 1.078 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.853 -1.071 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.075 -0.648 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.922 -1.821 -7.163 1.00 0.00 H new ATOM 456 N CYS A 30 14.112 3.836 -2.313 1.00 0.00 N ATOM 457 CA CYS A 30 13.451 5.044 -1.742 1.00 0.00 C ATOM 458 C CYS A 30 12.813 5.847 -2.875 1.00 0.00 C ATOM 459 O CYS A 30 11.894 6.615 -2.669 1.00 0.00 O ATOM 460 CB CYS A 30 14.570 5.848 -1.078 1.00 0.00 C ATOM 461 SG CYS A 30 14.931 5.150 0.554 1.00 0.00 S ATOM 0 H CYS A 30 15.056 3.655 -1.973 1.00 0.00 H new ATOM 0 HA CYS A 30 12.667 4.795 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.465 5.827 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.273 6.892 -0.981 1.00 0.00 H new ATOM 466 N GLY A 31 13.298 5.668 -4.073 1.00 0.00 N ATOM 467 CA GLY A 31 12.730 6.408 -5.233 1.00 0.00 C ATOM 468 C GLY A 31 11.557 5.622 -5.818 1.00 0.00 C ATOM 469 O GLY A 31 10.777 6.139 -6.591 1.00 0.00 O ATOM 0 H GLY A 31 14.067 5.037 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.397 7.397 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.497 6.556 -5.993 1.00 0.00 H new ATOM 473 N ASP A 32 11.410 4.377 -5.456 1.00 0.00 N ATOM 474 CA ASP A 32 10.269 3.588 -5.998 1.00 0.00 C ATOM 475 C ASP A 32 9.003 3.945 -5.219 1.00 0.00 C ATOM 476 O ASP A 32 7.923 4.023 -5.769 1.00 0.00 O ATOM 477 CB ASP A 32 10.651 2.123 -5.792 1.00 0.00 C ATOM 478 CG ASP A 32 10.292 1.328 -7.047 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.222 1.559 -7.585 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.094 0.502 -7.450 1.00 0.00 O ATOM 0 H ASP A 32 12.025 3.876 -4.814 1.00 0.00 H new ATOM 0 HA ASP A 32 10.073 3.792 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.718 2.039 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.127 1.716 -4.927 1.00 0.00 H new ATOM 485 N CYS A 33 9.139 4.194 -3.947 1.00 0.00 N ATOM 486 CA CYS A 33 7.956 4.585 -3.131 1.00 0.00 C ATOM 487 C CYS A 33 7.813 6.108 -3.183 1.00 0.00 C ATOM 488 O CYS A 33 6.780 6.637 -3.541 1.00 0.00 O ATOM 489 CB CYS A 33 8.278 4.122 -1.709 1.00 0.00 C ATOM 490 SG CYS A 33 7.766 2.401 -1.490 1.00 0.00 S ATOM 0 H CYS A 33 10.020 4.144 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 33 7.024 4.145 -3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.347 4.219 -1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.767 4.757 -0.986 1.00 0.00 H new ATOM 495 N HIS A 34 8.863 6.813 -2.850 1.00 0.00 N ATOM 496 CA HIS A 34 8.817 8.301 -2.899 1.00 0.00 C ATOM 497 C HIS A 34 9.286 8.770 -4.275 1.00 0.00 C ATOM 498 O HIS A 34 9.907 9.803 -4.406 1.00 0.00 O ATOM 499 CB HIS A 34 9.805 8.770 -1.832 1.00 0.00 C ATOM 500 CG HIS A 34 9.242 8.519 -0.462 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.086 9.134 -0.007 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.680 7.734 0.573 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.876 8.716 1.254 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.818 7.862 1.654 1.00 0.00 N ATOM 0 H HIS A 34 9.753 6.419 -2.545 1.00 0.00 H new ATOM 0 HA HIS A 34 7.815 8.693 -2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.753 8.244 -1.946 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.013 9.832 -1.959 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.502 9.784 -0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.562 7.111 0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.046 9.033 1.867 1.00 0.00 H new ATOM 512 N HIS A 35 9.008 8.001 -5.293 1.00 0.00 N ATOM 513 CA HIS A 35 9.446 8.371 -6.671 1.00 0.00 C ATOM 514 C HIS A 35 9.482 9.892 -6.855 1.00 0.00 C ATOM 515 O HIS A 35 8.900 10.630 -6.085 1.00 0.00 O ATOM 516 CB HIS A 35 8.400 7.749 -7.588 1.00 0.00 C ATOM 517 CG HIS A 35 7.044 8.203 -7.161 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.559 9.432 -7.531 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.062 7.617 -6.397 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.335 9.564 -7.002 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.975 8.483 -6.299 1.00 0.00 N ATOM 0 H HIS A 35 8.491 7.124 -5.229 1.00 0.00 H new ATOM 0 HA HIS A 35 10.455 8.016 -6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.586 8.040 -8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.463 6.662 -7.547 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.043 10.122 -8.106 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.124 6.639 -5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.713 10.438 -7.128 1.00 0.00 H new ATOM 529 N PRO A 36 10.171 10.306 -7.884 1.00 0.00 N ATOM 530 CA PRO A 36 10.298 11.752 -8.187 1.00 0.00 C ATOM 531 C PRO A 36 8.942 12.321 -8.607 1.00 0.00 C ATOM 532 O PRO A 36 8.337 11.871 -9.561 1.00 0.00 O ATOM 533 CB PRO A 36 11.301 11.789 -9.340 1.00 0.00 C ATOM 534 CG PRO A 36 11.201 10.440 -9.971 1.00 0.00 C ATOM 535 CD PRO A 36 10.877 9.475 -8.863 1.00 0.00 C ATOM 0 HA PRO A 36 10.624 12.350 -7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.058 12.578 -10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.311 11.984 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.426 10.426 -10.737 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.137 10.170 -10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.254 8.653 -9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.779 9.033 -8.439 1.00 0.00 H new ATOM 543 N VAL A 37 8.454 13.299 -7.897 1.00 0.00 N ATOM 544 CA VAL A 37 7.131 13.889 -8.247 1.00 0.00 C ATOM 545 C VAL A 37 7.315 15.292 -8.826 1.00 0.00 C ATOM 546 O VAL A 37 6.407 16.099 -8.847 1.00 0.00 O ATOM 547 CB VAL A 37 6.362 13.925 -6.922 1.00 0.00 C ATOM 548 CG1 VAL A 37 5.245 14.967 -6.993 1.00 0.00 C ATOM 549 CG2 VAL A 37 5.753 12.547 -6.655 1.00 0.00 C ATOM 0 H VAL A 37 8.914 13.716 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 37 6.598 13.315 -9.005 1.00 0.00 H new ATOM 0 HB VAL A 37 7.047 14.190 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.704 14.985 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.676 15.950 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.558 14.709 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.205 12.568 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.072 12.287 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.548 11.803 -6.596 1.00 0.00 H new ATOM 559 N ASN A 38 8.489 15.578 -9.307 1.00 0.00 N ATOM 560 CA ASN A 38 8.759 16.920 -9.898 1.00 0.00 C ATOM 561 C ASN A 38 10.233 16.997 -10.280 1.00 0.00 C ATOM 562 O ASN A 38 10.619 16.728 -11.400 1.00 0.00 O ATOM 563 CB ASN A 38 8.452 17.917 -8.781 1.00 0.00 C ATOM 564 CG ASN A 38 8.262 19.314 -9.378 1.00 0.00 C ATOM 565 OD1 ASN A 38 8.808 19.622 -10.419 1.00 0.00 O ATOM 566 ND2 ASN A 38 7.505 20.179 -8.758 1.00 0.00 N ATOM 0 H ASN A 38 9.282 14.936 -9.317 1.00 0.00 H new ATOM 0 HA ASN A 38 8.164 17.121 -10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.552 17.614 -8.246 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.266 17.928 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.372 21.112 -9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.046 19.921 -7.884 1.00 0.00 H new ATOM 573 N GLY A 39 11.060 17.331 -9.334 1.00 0.00 N ATOM 574 CA GLY A 39 12.517 17.397 -9.592 1.00 0.00 C ATOM 575 C GLY A 39 13.211 16.513 -8.559 1.00 0.00 C ATOM 576 O GLY A 39 14.415 16.353 -8.565 1.00 0.00 O ATOM 0 H GLY A 39 10.782 17.564 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.743 17.055 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.873 18.425 -9.517 1.00 0.00 H new ATOM 580 N LYS A 40 12.447 15.934 -7.663 1.00 0.00 N ATOM 581 CA LYS A 40 13.054 15.056 -6.624 1.00 0.00 C ATOM 582 C LYS A 40 11.989 14.139 -6.016 1.00 0.00 C ATOM 583 O LYS A 40 10.828 14.487 -5.935 1.00 0.00 O ATOM 584 CB LYS A 40 13.606 16.014 -5.567 1.00 0.00 C ATOM 585 CG LYS A 40 12.504 16.980 -5.128 1.00 0.00 C ATOM 586 CD LYS A 40 13.114 18.094 -4.275 1.00 0.00 C ATOM 587 CE LYS A 40 11.997 18.884 -3.590 1.00 0.00 C ATOM 588 NZ LYS A 40 11.120 19.347 -4.700 1.00 0.00 N ATOM 0 H LYS A 40 11.433 16.034 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 40 13.831 14.410 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.975 15.452 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.452 16.570 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.009 17.405 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.743 16.446 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.784 17.669 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.713 18.757 -4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.447 18.260 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.397 19.726 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.596 20.193 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.703 19.579 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.448 18.593 -4.949 1.00 0.00 H new ATOM 602 N GLU A 41 12.378 12.973 -5.583 1.00 0.00 N ATOM 603 CA GLU A 41 11.396 12.031 -4.974 1.00 0.00 C ATOM 604 C GLU A 41 10.802 12.630 -3.702 1.00 0.00 C ATOM 605 O GLU A 41 11.502 12.888 -2.744 1.00 0.00 O ATOM 606 CB GLU A 41 12.210 10.789 -4.632 1.00 0.00 C ATOM 607 CG GLU A 41 12.195 9.820 -5.815 1.00 0.00 C ATOM 608 CD GLU A 41 13.554 9.127 -5.924 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.083 8.739 -4.895 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.043 8.995 -7.034 1.00 0.00 O ATOM 0 H GLU A 41 13.338 12.630 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 41 10.565 11.815 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.236 11.069 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.797 10.304 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.407 9.079 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.974 10.358 -6.737 1.00 0.00 H new ATOM 617 N ASP A 42 9.517 12.842 -3.674 1.00 0.00 N ATOM 618 CA ASP A 42 8.903 13.410 -2.445 1.00 0.00 C ATOM 619 C ASP A 42 9.086 12.426 -1.291 1.00 0.00 C ATOM 620 O ASP A 42 8.437 11.401 -1.227 1.00 0.00 O ATOM 621 CB ASP A 42 7.425 13.588 -2.769 1.00 0.00 C ATOM 622 CG ASP A 42 7.261 14.662 -3.845 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.256 15.268 -4.206 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.143 14.860 -4.291 1.00 0.00 O ATOM 0 H ASP A 42 8.872 12.649 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 42 9.358 14.356 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.002 12.645 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.877 13.872 -1.871 1.00 0.00 H new ATOM 629 N TYR A 43 9.972 12.722 -0.386 1.00 0.00 N ATOM 630 CA TYR A 43 10.206 11.796 0.757 1.00 0.00 C ATOM 631 C TYR A 43 9.278 12.145 1.924 1.00 0.00 C ATOM 632 O TYR A 43 9.723 12.457 3.010 1.00 0.00 O ATOM 633 CB TYR A 43 11.667 12.013 1.155 1.00 0.00 C ATOM 634 CG TYR A 43 12.570 11.626 0.007 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.844 10.276 -0.247 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.135 12.619 -0.802 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.683 9.920 -1.310 1.00 0.00 C ATOM 638 CE2 TYR A 43 13.974 12.262 -1.865 1.00 0.00 C ATOM 639 CZ TYR A 43 14.248 10.913 -2.118 1.00 0.00 C ATOM 640 OH TYR A 43 15.074 10.562 -3.166 1.00 0.00 O ATOM 0 H TYR A 43 10.546 13.565 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 43 10.005 10.758 0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.830 13.057 1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.907 11.417 2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.408 9.510 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.924 13.660 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.894 8.879 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.410 13.028 -2.490 1.00 0.00 H new ATOM 0 HH TYR A 43 14.723 9.758 -3.604 1.00 0.00 H new ATOM 650 N GLN A 44 7.991 12.098 1.710 1.00 0.00 N ATOM 651 CA GLN A 44 7.041 12.431 2.811 1.00 0.00 C ATOM 652 C GLN A 44 5.905 11.406 2.862 1.00 0.00 C ATOM 653 O GLN A 44 5.761 10.581 1.982 1.00 0.00 O ATOM 654 CB GLN A 44 6.500 13.817 2.463 1.00 0.00 C ATOM 655 CG GLN A 44 6.000 13.823 1.016 1.00 0.00 C ATOM 656 CD GLN A 44 5.462 15.211 0.666 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.462 15.333 -0.013 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.087 16.270 1.103 1.00 0.00 N ATOM 0 H GLN A 44 7.557 11.844 0.823 1.00 0.00 H new ATOM 0 HA GLN A 44 7.523 12.416 3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.688 14.083 3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.281 14.567 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.811 13.555 0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.217 13.075 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.927 16.168 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.736 17.200 0.874 1.00 0.00 H new ATOM 667 N LYS A 45 5.098 11.453 3.885 1.00 0.00 N ATOM 668 CA LYS A 45 3.977 10.479 3.992 1.00 0.00 C ATOM 669 C LYS A 45 3.284 10.326 2.639 1.00 0.00 C ATOM 670 O LYS A 45 2.860 11.290 2.031 1.00 0.00 O ATOM 671 CB LYS A 45 3.025 11.080 5.022 1.00 0.00 C ATOM 672 CG LYS A 45 3.399 10.584 6.421 1.00 0.00 C ATOM 673 CD LYS A 45 2.166 10.625 7.325 1.00 0.00 C ATOM 674 CE LYS A 45 2.085 11.986 8.018 1.00 0.00 C ATOM 675 NZ LYS A 45 1.263 12.831 7.108 1.00 0.00 N ATOM 0 H LYS A 45 5.166 12.123 4.651 1.00 0.00 H new ATOM 0 HA LYS A 45 4.317 9.486 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.075 12.168 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.998 10.800 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.788 9.567 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.190 11.206 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.265 10.451 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.220 9.830 8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.624 11.901 9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.077 12.414 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.826 13.644 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.967 12.268 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.422 13.171 7.616 1.00 0.00 H new ATOM 689 N CYS A 46 3.170 9.119 2.163 1.00 0.00 N ATOM 690 CA CYS A 46 2.512 8.890 0.848 1.00 0.00 C ATOM 691 C CYS A 46 1.276 9.779 0.700 1.00 0.00 C ATOM 692 O CYS A 46 1.037 10.360 -0.341 1.00 0.00 O ATOM 693 CB CYS A 46 2.111 7.416 0.863 1.00 0.00 C ATOM 694 SG CYS A 46 3.592 6.390 1.045 1.00 0.00 S ATOM 0 H CYS A 46 3.506 8.277 2.631 1.00 0.00 H new ATOM 0 HA CYS A 46 3.170 9.131 0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.420 7.224 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.590 7.160 -0.059 1.00 0.00 H new ATOM 699 N ALA A 47 0.485 9.881 1.729 1.00 0.00 N ATOM 700 CA ALA A 47 -0.746 10.721 1.646 1.00 0.00 C ATOM 701 C ALA A 47 -0.516 12.099 2.265 1.00 0.00 C ATOM 702 O ALA A 47 -1.220 12.508 3.167 1.00 0.00 O ATOM 703 CB ALA A 47 -1.792 9.964 2.448 1.00 0.00 C ATOM 0 H ALA A 47 0.635 9.420 2.626 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.046 10.887 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.731 10.518 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.946 8.979 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.450 9.851 3.477 1.00 0.00 H new ATOM 709 N THR A 48 0.451 12.817 1.784 1.00 0.00 N ATOM 710 CA THR A 48 0.716 14.173 2.335 1.00 0.00 C ATOM 711 C THR A 48 -0.582 14.987 2.361 1.00 0.00 C ATOM 712 O THR A 48 -1.659 14.467 2.153 1.00 0.00 O ATOM 713 CB THR A 48 1.727 14.802 1.374 1.00 0.00 C ATOM 714 OG1 THR A 48 2.456 13.774 0.718 1.00 0.00 O ATOM 715 CG2 THR A 48 2.691 15.695 2.157 1.00 0.00 C ATOM 0 H THR A 48 1.073 12.525 1.030 1.00 0.00 H new ATOM 0 HA THR A 48 1.095 14.141 3.356 1.00 0.00 H new ATOM 0 HB THR A 48 1.200 15.404 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.345 14.108 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.411 16.142 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.130 16.483 2.660 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.220 15.097 2.899 1.00 0.00 H new ATOM 723 N ALA A 49 -0.486 16.261 2.613 1.00 0.00 N ATOM 724 CA ALA A 49 -1.718 17.106 2.654 1.00 0.00 C ATOM 725 C ALA A 49 -2.240 17.353 1.236 1.00 0.00 C ATOM 726 O ALA A 49 -3.423 17.526 1.021 1.00 0.00 O ATOM 727 CB ALA A 49 -1.277 18.419 3.301 1.00 0.00 C ATOM 0 H ALA A 49 0.388 16.756 2.792 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.526 16.630 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.129 19.096 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.892 18.221 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.495 18.878 2.696 1.00 0.00 H new ATOM 733 N GLY A 50 -1.367 17.365 0.269 1.00 0.00 N ATOM 734 CA GLY A 50 -1.808 17.594 -1.136 1.00 0.00 C ATOM 735 C GLY A 50 -1.204 16.510 -2.022 1.00 0.00 C ATOM 736 O GLY A 50 -0.587 16.784 -3.033 1.00 0.00 O ATOM 0 H GLY A 50 -0.364 17.226 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.896 17.570 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.490 18.580 -1.476 1.00 0.00 H new ATOM 740 N CYS A 51 -1.365 15.278 -1.638 1.00 0.00 N ATOM 741 CA CYS A 51 -0.792 14.161 -2.436 1.00 0.00 C ATOM 742 C CYS A 51 -1.773 12.981 -2.476 1.00 0.00 C ATOM 743 O CYS A 51 -2.889 13.114 -2.937 1.00 0.00 O ATOM 744 CB CYS A 51 0.495 13.804 -1.690 1.00 0.00 C ATOM 745 SG CYS A 51 1.765 13.309 -2.876 1.00 0.00 S ATOM 0 H CYS A 51 -1.872 14.994 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.601 14.423 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.840 14.659 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.306 12.994 -0.985 1.00 0.00 H new ATOM 750 N HIS A 52 -1.379 11.834 -1.991 1.00 0.00 N ATOM 751 CA HIS A 52 -2.310 10.666 -2.003 1.00 0.00 C ATOM 752 C HIS A 52 -3.314 10.807 -0.858 1.00 0.00 C ATOM 753 O HIS A 52 -3.492 9.908 -0.061 1.00 0.00 O ATOM 754 CB HIS A 52 -1.426 9.437 -1.767 1.00 0.00 C ATOM 755 CG HIS A 52 -0.630 9.120 -2.993 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.232 8.926 -4.212 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.716 8.945 -3.201 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.266 8.643 -5.106 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.944 8.648 -4.540 1.00 0.00 N ATOM 0 H HIS A 52 -0.459 11.655 -1.589 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.867 10.592 -2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.755 9.620 -0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.046 8.582 -1.498 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.232 8.986 -4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.480 9.026 -2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.447 8.438 -6.151 1.00 0.00 H new ATOM 767 N ASP A 53 -3.962 11.937 -0.758 1.00 0.00 N ATOM 768 CA ASP A 53 -4.940 12.137 0.349 1.00 0.00 C ATOM 769 C ASP A 53 -6.381 12.053 -0.165 1.00 0.00 C ATOM 770 O ASP A 53 -7.287 12.606 0.427 1.00 0.00 O ATOM 771 CB ASP A 53 -4.645 13.542 0.883 1.00 0.00 C ATOM 772 CG ASP A 53 -4.790 14.558 -0.251 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.467 14.248 -1.216 1.00 0.00 O ATOM 774 OD2 ASP A 53 -4.220 15.632 -0.132 1.00 0.00 O ATOM 0 H ASP A 53 -3.856 12.728 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.843 11.370 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.331 13.786 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.637 13.582 1.295 1.00 0.00 H new ATOM 779 N ASN A 54 -6.613 11.361 -1.248 1.00 0.00 N ATOM 780 CA ASN A 54 -8.008 11.252 -1.760 1.00 0.00 C ATOM 781 C ASN A 54 -8.752 10.156 -0.994 1.00 0.00 C ATOM 782 O ASN A 54 -8.521 8.980 -1.194 1.00 0.00 O ATOM 783 CB ASN A 54 -7.874 10.885 -3.238 1.00 0.00 C ATOM 784 CG ASN A 54 -8.730 11.832 -4.079 1.00 0.00 C ATOM 785 OD1 ASN A 54 -8.580 13.036 -4.003 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.629 11.337 -4.883 1.00 0.00 N ATOM 0 H ASN A 54 -5.905 10.871 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.571 12.177 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.831 10.950 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.190 9.854 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.206 11.960 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.755 10.327 -4.947 1.00 0.00 H new ATOM 793 N MET A 55 -9.636 10.532 -0.112 1.00 0.00 N ATOM 794 CA MET A 55 -10.384 9.512 0.673 1.00 0.00 C ATOM 795 C MET A 55 -11.526 8.929 -0.162 1.00 0.00 C ATOM 796 O MET A 55 -12.650 8.827 0.289 1.00 0.00 O ATOM 797 CB MET A 55 -10.935 10.275 1.878 1.00 0.00 C ATOM 798 CG MET A 55 -9.781 10.922 2.645 1.00 0.00 C ATOM 799 SD MET A 55 -8.935 9.665 3.635 1.00 0.00 S ATOM 800 CE MET A 55 -7.662 10.745 4.334 1.00 0.00 C ATOM 0 H MET A 55 -9.872 11.502 0.099 1.00 0.00 H new ATOM 0 HA MET A 55 -9.754 8.674 0.970 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.639 11.039 1.547 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.484 9.597 2.531 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.081 11.384 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.159 11.715 3.290 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.702 10.228 4.326 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.589 11.655 3.738 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.927 11.003 5.359 1.00 0.00 H new ATOM 810 N ASP A 56 -11.247 8.543 -1.375 1.00 0.00 N ATOM 811 CA ASP A 56 -12.314 7.962 -2.238 1.00 0.00 C ATOM 812 C ASP A 56 -11.964 6.517 -2.599 1.00 0.00 C ATOM 813 O ASP A 56 -12.802 5.754 -3.035 1.00 0.00 O ATOM 814 CB ASP A 56 -12.335 8.838 -3.490 1.00 0.00 C ATOM 815 CG ASP A 56 -13.702 8.730 -4.167 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.611 8.209 -3.542 1.00 0.00 O ATOM 817 OD2 ASP A 56 -13.817 9.169 -5.300 1.00 0.00 O ATOM 0 H ASP A 56 -10.325 8.605 -1.807 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.284 7.943 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.130 9.875 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.551 8.525 -4.179 1.00 0.00 H new ATOM 822 N LYS A 57 -10.729 6.135 -2.415 1.00 0.00 N ATOM 823 CA LYS A 57 -10.320 4.740 -2.742 1.00 0.00 C ATOM 824 C LYS A 57 -10.757 4.377 -4.164 1.00 0.00 C ATOM 825 O LYS A 57 -10.815 3.219 -4.530 1.00 0.00 O ATOM 826 CB LYS A 57 -11.041 3.871 -1.715 1.00 0.00 C ATOM 827 CG LYS A 57 -10.913 4.493 -0.326 1.00 0.00 C ATOM 828 CD LYS A 57 -12.231 4.313 0.431 1.00 0.00 C ATOM 829 CE LYS A 57 -13.092 5.567 0.262 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.253 5.361 1.172 1.00 0.00 N ATOM 0 H LYS A 57 -9.985 6.730 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.239 4.604 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.093 3.773 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.617 2.867 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.098 4.022 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.670 5.552 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.763 3.440 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.034 4.134 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.536 6.466 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.417 5.687 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.891 6.180 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.767 4.502 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.914 5.257 2.150 1.00 0.00 H new ATOM 844 N LYS A 58 -11.065 5.357 -4.969 1.00 0.00 N ATOM 845 CA LYS A 58 -11.496 5.067 -6.367 1.00 0.00 C ATOM 846 C LYS A 58 -10.945 6.129 -7.324 1.00 0.00 C ATOM 847 O LYS A 58 -11.261 6.144 -8.497 1.00 0.00 O ATOM 848 CB LYS A 58 -13.024 5.123 -6.330 1.00 0.00 C ATOM 849 CG LYS A 58 -13.550 4.080 -5.344 1.00 0.00 C ATOM 850 CD LYS A 58 -15.058 4.264 -5.162 1.00 0.00 C ATOM 851 CE LYS A 58 -15.617 3.112 -4.324 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.732 2.551 -5.139 1.00 0.00 N ATOM 0 H LYS A 58 -11.037 6.346 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.130 4.102 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.355 6.118 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.429 4.936 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.337 3.076 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.042 4.182 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.262 5.216 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.551 4.293 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.853 2.359 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.973 3.464 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.167 1.755 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.447 3.288 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.361 2.218 -6.052 1.00 0.00 H new ATOM 866 N ASP A 59 -10.123 7.018 -6.834 1.00 0.00 N ATOM 867 CA ASP A 59 -9.557 8.075 -7.720 1.00 0.00 C ATOM 868 C ASP A 59 -8.843 7.438 -8.915 1.00 0.00 C ATOM 869 O ASP A 59 -8.602 8.080 -9.918 1.00 0.00 O ATOM 870 CB ASP A 59 -8.560 8.834 -6.844 1.00 0.00 C ATOM 871 CG ASP A 59 -8.289 10.211 -7.454 1.00 0.00 C ATOM 872 OD1 ASP A 59 -9.026 10.597 -8.347 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.350 10.856 -7.018 1.00 0.00 O ATOM 0 H ASP A 59 -9.820 7.058 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.328 8.731 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.956 8.943 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.630 8.271 -6.762 1.00 0.00 H new ATOM 878 N LYS A 60 -8.504 6.180 -8.815 1.00 0.00 N ATOM 879 CA LYS A 60 -7.805 5.502 -9.942 1.00 0.00 C ATOM 880 C LYS A 60 -6.800 6.452 -10.595 1.00 0.00 C ATOM 881 O LYS A 60 -6.495 6.341 -11.765 1.00 0.00 O ATOM 882 CB LYS A 60 -8.910 5.132 -10.926 1.00 0.00 C ATOM 883 CG LYS A 60 -9.378 3.703 -10.648 1.00 0.00 C ATOM 884 CD LYS A 60 -9.696 3.546 -9.159 1.00 0.00 C ATOM 885 CE LYS A 60 -9.830 2.059 -8.821 1.00 0.00 C ATOM 886 NZ LYS A 60 -11.145 1.653 -9.390 1.00 0.00 N ATOM 0 H LYS A 60 -8.682 5.593 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.243 4.629 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.745 5.826 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.544 5.214 -11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.262 3.477 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.605 2.993 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.907 3.997 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.620 4.070 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.016 1.480 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.798 1.894 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.754 1.286 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.601 2.477 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.000 0.912 -10.105 1.00 0.00 H new ATOM 900 N SER A 61 -6.281 7.384 -9.846 1.00 0.00 N ATOM 901 CA SER A 61 -5.296 8.339 -10.422 1.00 0.00 C ATOM 902 C SER A 61 -4.041 8.384 -9.549 1.00 0.00 C ATOM 903 O SER A 61 -3.905 7.631 -8.606 1.00 0.00 O ATOM 904 CB SER A 61 -6.004 9.693 -10.417 1.00 0.00 C ATOM 905 OG SER A 61 -6.152 10.152 -11.754 1.00 0.00 O ATOM 0 H SER A 61 -6.497 7.525 -8.859 1.00 0.00 H new ATOM 0 HA SER A 61 -4.978 8.053 -11.425 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.981 9.604 -9.941 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.430 10.414 -9.835 1.00 0.00 H new ATOM 0 HG SER A 61 -6.608 11.020 -11.753 1.00 0.00 H new ATOM 911 N ALA A 62 -3.124 9.260 -9.850 1.00 0.00 N ATOM 912 CA ALA A 62 -1.883 9.344 -9.029 1.00 0.00 C ATOM 913 C ALA A 62 -2.102 10.269 -7.828 1.00 0.00 C ATOM 914 O ALA A 62 -1.169 10.820 -7.278 1.00 0.00 O ATOM 915 CB ALA A 62 -0.825 9.924 -9.967 1.00 0.00 C ATOM 0 H ALA A 62 -3.179 9.920 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.586 8.374 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.122 10.017 -9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.696 9.262 -10.823 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.145 10.907 -10.313 1.00 0.00 H new ATOM 921 N LYS A 63 -3.328 10.442 -7.416 1.00 0.00 N ATOM 922 CA LYS A 63 -3.605 11.329 -6.250 1.00 0.00 C ATOM 923 C LYS A 63 -4.501 10.608 -5.241 1.00 0.00 C ATOM 924 O LYS A 63 -4.846 11.144 -4.207 1.00 0.00 O ATOM 925 CB LYS A 63 -4.326 12.543 -6.836 1.00 0.00 C ATOM 926 CG LYS A 63 -3.870 13.809 -6.108 1.00 0.00 C ATOM 927 CD LYS A 63 -2.477 14.206 -6.597 1.00 0.00 C ATOM 928 CE LYS A 63 -2.599 15.005 -7.896 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.791 16.417 -7.462 1.00 0.00 N ATOM 0 H LYS A 63 -4.150 10.008 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.695 11.613 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.112 12.627 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.405 12.422 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.575 14.620 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.854 13.636 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.970 14.802 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.870 13.315 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.705 14.899 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.441 14.658 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.883 17.028 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.653 16.489 -6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.971 16.722 -6.899 1.00 0.00 H new ATOM 943 N GLY A 64 -4.877 9.393 -5.533 1.00 0.00 N ATOM 944 CA GLY A 64 -5.742 8.638 -4.591 1.00 0.00 C ATOM 945 C GLY A 64 -4.868 7.945 -3.554 1.00 0.00 C ATOM 946 O GLY A 64 -3.764 7.524 -3.834 1.00 0.00 O ATOM 0 H GLY A 64 -4.621 8.893 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.442 9.314 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.336 7.902 -5.134 1.00 0.00 H new ATOM 950 N TYR A 65 -5.352 7.829 -2.355 1.00 0.00 N ATOM 951 CA TYR A 65 -4.549 7.171 -1.288 1.00 0.00 C ATOM 952 C TYR A 65 -4.627 5.649 -1.413 1.00 0.00 C ATOM 953 O TYR A 65 -3.623 4.968 -1.455 1.00 0.00 O ATOM 954 CB TYR A 65 -5.193 7.614 0.023 1.00 0.00 C ATOM 955 CG TYR A 65 -4.309 7.184 1.169 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.939 7.467 1.137 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.857 6.497 2.256 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.116 7.064 2.195 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.034 6.092 3.313 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.664 6.376 3.282 1.00 0.00 C ATOM 961 OH TYR A 65 -1.853 5.976 4.323 1.00 0.00 O ATOM 0 H TYR A 65 -6.271 8.161 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.496 7.445 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.324 8.696 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.184 7.172 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.517 7.996 0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.914 6.279 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.059 7.284 2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.456 5.560 4.153 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.399 5.823 5.123 1.00 0.00 H new ATOM 971 N TYR A 66 -5.812 5.113 -1.458 1.00 0.00 N ATOM 972 CA TYR A 66 -5.964 3.639 -1.561 1.00 0.00 C ATOM 973 C TYR A 66 -5.536 3.152 -2.953 1.00 0.00 C ATOM 974 O TYR A 66 -5.124 2.022 -3.124 1.00 0.00 O ATOM 975 CB TYR A 66 -7.457 3.407 -1.296 1.00 0.00 C ATOM 976 CG TYR A 66 -7.967 2.237 -2.101 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.008 2.314 -3.495 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.402 1.080 -1.446 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.484 1.228 -4.241 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.878 -0.006 -2.190 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.918 0.068 -3.588 1.00 0.00 C ATOM 982 OH TYR A 66 -9.386 -1.002 -4.322 1.00 0.00 O ATOM 0 H TYR A 66 -6.687 5.636 -1.428 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.339 3.086 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.618 3.222 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.020 4.304 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.673 3.210 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.371 1.025 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.516 1.285 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.214 -0.900 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.646 -1.726 -3.715 1.00 0.00 H new ATOM 992 N HIS A 67 -5.620 3.993 -3.947 1.00 0.00 N ATOM 993 CA HIS A 67 -5.209 3.567 -5.319 1.00 0.00 C ATOM 994 C HIS A 67 -3.726 3.188 -5.337 1.00 0.00 C ATOM 995 O HIS A 67 -3.370 2.038 -5.501 1.00 0.00 O ATOM 996 CB HIS A 67 -5.452 4.790 -6.205 1.00 0.00 C ATOM 997 CG HIS A 67 -4.708 4.614 -7.499 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.121 3.712 -8.465 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.563 5.191 -7.989 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.235 3.765 -9.474 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.265 4.652 -9.237 1.00 0.00 N ATOM 0 H HIS A 67 -5.954 4.954 -3.871 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.766 2.695 -5.660 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.518 4.909 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.116 5.695 -5.698 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.947 3.116 -8.419 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.982 5.948 -7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.300 3.163 -10.368 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.860 4.149 -5.180 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.399 3.855 -5.200 1.00 0.00 C ATOM 1011 C ALA A 68 -1.055 2.695 -4.255 1.00 0.00 C ATOM 1012 O ALA A 68 0.013 2.128 -4.329 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.735 5.145 -4.719 1.00 0.00 C ATOM 0 H ALA A 68 -3.101 5.130 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.061 3.555 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.347 5.014 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.992 5.961 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.086 5.382 -3.715 1.00 0.00 H new ATOM 1019 N MET A 69 -1.933 2.352 -3.352 1.00 0.00 N ATOM 1020 CA MET A 69 -1.622 1.244 -2.404 1.00 0.00 C ATOM 1021 C MET A 69 -2.128 -0.104 -2.917 1.00 0.00 C ATOM 1022 O MET A 69 -1.440 -1.100 -2.826 1.00 0.00 O ATOM 1023 CB MET A 69 -2.339 1.626 -1.114 1.00 0.00 C ATOM 1024 CG MET A 69 -1.767 2.943 -0.592 1.00 0.00 C ATOM 1025 SD MET A 69 -0.800 2.636 0.906 1.00 0.00 S ATOM 1026 CE MET A 69 0.516 3.831 0.567 1.00 0.00 C ATOM 0 H MET A 69 -2.847 2.788 -3.230 1.00 0.00 H new ATOM 0 HA MET A 69 -0.547 1.125 -2.271 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.409 1.727 -1.295 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.214 0.841 -0.368 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.139 3.405 -1.354 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.575 3.642 -0.378 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.233 3.825 1.388 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.023 3.561 -0.359 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.086 4.828 0.468 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.321 -0.161 -3.437 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.845 -1.468 -3.924 1.00 0.00 C ATOM 1038 C HIS A 70 -3.666 -1.601 -5.436 1.00 0.00 C ATOM 1039 O HIS A 70 -3.743 -2.681 -5.986 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.329 -1.446 -3.575 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.496 -1.049 -2.140 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.842 0.240 -1.769 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.372 -1.755 -0.973 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.914 0.269 -0.428 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.639 -0.921 0.104 1.00 0.00 N ATOM 0 H HIS A 70 -3.952 0.633 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.318 -2.308 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.856 -0.744 -4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.769 -2.429 -3.746 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.011 1.024 -2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.107 -2.800 -0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.164 1.148 0.148 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.446 -0.513 -6.114 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.284 -0.581 -7.590 1.00 0.00 C ATOM 1055 C ASP A 71 -1.862 -1.004 -7.965 1.00 0.00 C ATOM 1056 O ASP A 71 -0.901 -0.327 -7.662 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.576 0.838 -8.062 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.069 1.122 -7.894 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.546 1.032 -6.776 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.711 1.421 -8.888 1.00 0.00 O ATOM 0 H ASP A 71 -3.371 0.421 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.944 -1.317 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.990 1.554 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.286 0.954 -9.106 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.726 -2.122 -8.629 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.370 -2.595 -9.030 1.00 0.00 C ATOM 1067 C LYS A 72 0.096 -1.859 -10.287 1.00 0.00 C ATOM 1068 O LYS A 72 1.190 -1.334 -10.341 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.541 -4.088 -9.315 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.132 -4.778 -8.085 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.535 -5.294 -8.411 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.428 -6.555 -9.273 1.00 0.00 C ATOM 1073 NZ LYS A 72 -3.742 -7.238 -9.116 1.00 0.00 N ATOM 0 H LYS A 72 -2.497 -2.728 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 72 0.378 -2.410 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.195 -4.232 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.421 -4.533 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.492 -5.605 -7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.175 -4.080 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.076 -5.515 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.103 -4.527 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.234 -6.305 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.609 -7.193 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.748 -8.113 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.896 -7.469 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.502 -6.609 -9.447 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.728 -1.814 -11.295 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.338 -1.105 -12.549 1.00 0.00 C ATOM 1089 C GLY A 73 -0.241 0.394 -12.269 1.00 0.00 C ATOM 1090 O GLY A 73 -0.926 1.196 -12.870 1.00 0.00 O ATOM 0 H GLY A 73 -1.656 -2.237 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.618 -1.482 -12.912 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.073 -1.294 -13.332 1.00 0.00 H new ATOM 1094 N THR A 74 0.600 0.775 -11.347 1.00 0.00 N ATOM 1095 CA THR A 74 0.740 2.219 -11.007 1.00 0.00 C ATOM 1096 C THR A 74 2.078 2.769 -11.512 1.00 0.00 C ATOM 1097 O THR A 74 3.018 2.031 -11.733 1.00 0.00 O ATOM 1098 CB THR A 74 0.704 2.249 -9.479 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.513 1.199 -8.970 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.734 2.067 -8.990 1.00 0.00 C ATOM 0 H THR A 74 1.199 0.145 -10.812 1.00 0.00 H new ATOM 0 HA THR A 74 -0.040 2.829 -11.463 1.00 0.00 H new ATOM 0 HB THR A 74 1.083 3.209 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.448 1.358 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.753 2.089 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.356 2.873 -9.380 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.119 1.109 -9.340 1.00 0.00 H new ATOM 1108 N LYS A 75 2.171 4.062 -11.683 1.00 0.00 N ATOM 1109 CA LYS A 75 3.450 4.666 -12.158 1.00 0.00 C ATOM 1110 C LYS A 75 4.631 3.946 -11.502 1.00 0.00 C ATOM 1111 O LYS A 75 5.624 3.647 -12.135 1.00 0.00 O ATOM 1112 CB LYS A 75 3.388 6.126 -11.693 1.00 0.00 C ATOM 1113 CG LYS A 75 4.328 6.987 -12.541 1.00 0.00 C ATOM 1114 CD LYS A 75 4.104 6.693 -14.026 1.00 0.00 C ATOM 1115 CE LYS A 75 5.273 5.865 -14.565 1.00 0.00 C ATOM 1116 NZ LYS A 75 6.128 6.840 -15.298 1.00 0.00 N ATOM 0 H LYS A 75 1.415 4.726 -11.514 1.00 0.00 H new ATOM 0 HA LYS A 75 3.580 4.587 -13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.367 6.499 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.669 6.194 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.149 8.043 -12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.364 6.782 -12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.168 6.152 -14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.018 7.626 -14.583 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.824 5.386 -13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.924 5.071 -15.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.952 6.347 -15.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.578 7.275 -16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.451 7.580 -14.642 1.00 0.00 H new ATOM 1130 N PHE A 76 4.520 3.659 -10.234 1.00 0.00 N ATOM 1131 CA PHE A 76 5.624 2.948 -9.522 1.00 0.00 C ATOM 1132 C PHE A 76 5.083 1.695 -8.846 1.00 0.00 C ATOM 1133 O PHE A 76 3.892 1.458 -8.829 1.00 0.00 O ATOM 1134 CB PHE A 76 6.114 3.926 -8.461 1.00 0.00 C ATOM 1135 CG PHE A 76 6.486 5.225 -9.118 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.738 5.375 -9.723 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.568 6.280 -9.129 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.070 6.585 -10.341 1.00 0.00 C ATOM 1139 CE2 PHE A 76 5.900 7.488 -9.744 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.150 7.640 -10.350 1.00 0.00 C ATOM 0 H PHE A 76 3.710 3.886 -9.657 1.00 0.00 H new ATOM 0 HA PHE A 76 6.418 2.645 -10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.336 4.092 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.975 3.511 -7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.446 4.559 -9.713 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.602 6.160 -8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.035 6.705 -10.811 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.192 8.304 -9.752 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.407 8.574 -10.827 1.00 0.00 H new ATOM 1150 N LYS A 77 5.935 0.898 -8.263 1.00 0.00 N ATOM 1151 CA LYS A 77 5.420 -0.306 -7.576 1.00 0.00 C ATOM 1152 C LYS A 77 4.732 0.129 -6.287 1.00 0.00 C ATOM 1153 O LYS A 77 5.337 0.672 -5.383 1.00 0.00 O ATOM 1154 CB LYS A 77 6.623 -1.188 -7.292 1.00 0.00 C ATOM 1155 CG LYS A 77 7.599 -0.455 -6.381 1.00 0.00 C ATOM 1156 CD LYS A 77 9.002 -1.040 -6.566 1.00 0.00 C ATOM 1157 CE LYS A 77 8.940 -2.568 -6.518 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.615 -3.019 -7.766 1.00 0.00 N ATOM 0 H LYS A 77 6.946 1.029 -8.235 1.00 0.00 H new ATOM 0 HA LYS A 77 4.693 -0.853 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.301 -2.117 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.116 -1.458 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.603 0.610 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.286 -0.552 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.418 -0.714 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.666 -0.670 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.445 -2.956 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.909 -2.920 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.613 -4.058 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.108 -2.640 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.596 -2.675 -7.774 1.00 0.00 H new ATOM 1172 N SER A 78 3.461 -0.081 -6.231 1.00 0.00 N ATOM 1173 CA SER A 78 2.658 0.333 -5.044 1.00 0.00 C ATOM 1174 C SER A 78 2.803 -0.661 -3.892 1.00 0.00 C ATOM 1175 O SER A 78 3.459 -1.678 -4.008 1.00 0.00 O ATOM 1176 CB SER A 78 1.218 0.338 -5.549 1.00 0.00 C ATOM 1177 OG SER A 78 1.063 -0.685 -6.523 1.00 0.00 O ATOM 0 H SER A 78 2.923 -0.532 -6.971 1.00 0.00 H new ATOM 0 HA SER A 78 2.982 1.298 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.528 0.176 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.974 1.309 -5.981 1.00 0.00 H new ATOM 0 HG SER A 78 0.147 -0.670 -6.870 1.00 0.00 H new ATOM 1183 N CYS A 79 2.178 -0.374 -2.781 1.00 0.00 N ATOM 1184 CA CYS A 79 2.255 -1.297 -1.616 1.00 0.00 C ATOM 1185 C CYS A 79 1.755 -2.680 -2.035 1.00 0.00 C ATOM 1186 O CYS A 79 2.503 -3.637 -2.082 1.00 0.00 O ATOM 1187 CB CYS A 79 1.333 -0.676 -0.566 1.00 0.00 C ATOM 1188 SG CYS A 79 1.801 1.055 -0.292 1.00 0.00 S ATOM 0 H CYS A 79 1.616 0.464 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 79 3.268 -1.423 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.296 -0.735 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.401 -1.234 0.368 1.00 0.00 H new ATOM 1193 N VAL A 80 0.498 -2.785 -2.362 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.053 -4.098 -2.807 1.00 0.00 C ATOM 1195 C VAL A 80 0.567 -4.477 -4.156 1.00 0.00 C ATOM 1196 O VAL A 80 0.749 -5.638 -4.464 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.557 -3.868 -2.951 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.175 -4.997 -3.776 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.209 -3.834 -1.561 1.00 0.00 C ATOM 0 H VAL A 80 -0.174 -2.018 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 80 0.164 -4.907 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.727 -2.917 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.247 -4.829 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.717 -5.018 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.002 -5.950 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.281 -3.670 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.035 -4.783 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.774 -3.025 -0.975 1.00 0.00 H new ATOM 1209 N GLY A 81 0.898 -3.499 -4.956 1.00 0.00 N ATOM 1210 CA GLY A 81 1.515 -3.791 -6.282 1.00 0.00 C ATOM 1211 C GLY A 81 2.907 -4.384 -6.067 1.00 0.00 C ATOM 1212 O GLY A 81 3.300 -5.327 -6.724 1.00 0.00 O ATOM 0 H GLY A 81 0.767 -2.509 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.892 -4.489 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.583 -2.878 -6.874 1.00 0.00 H new ATOM 1216 N CYS A 82 3.649 -3.850 -5.134 1.00 0.00 N ATOM 1217 CA CYS A 82 5.007 -4.399 -4.861 1.00 0.00 C ATOM 1218 C CYS A 82 4.862 -5.641 -3.994 1.00 0.00 C ATOM 1219 O CYS A 82 5.717 -6.504 -3.960 1.00 0.00 O ATOM 1220 CB CYS A 82 5.744 -3.301 -4.091 1.00 0.00 C ATOM 1221 SG CYS A 82 7.526 -3.613 -4.156 1.00 0.00 S ATOM 0 H CYS A 82 3.374 -3.060 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 82 5.543 -4.674 -5.769 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.519 -2.325 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.405 -3.278 -3.055 1.00 0.00 H new ATOM 1226 N HIS A 83 3.770 -5.726 -3.295 1.00 0.00 N ATOM 1227 CA HIS A 83 3.524 -6.896 -2.417 1.00 0.00 C ATOM 1228 C HIS A 83 3.159 -8.116 -3.269 1.00 0.00 C ATOM 1229 O HIS A 83 3.797 -9.147 -3.190 1.00 0.00 O ATOM 1230 CB HIS A 83 2.365 -6.449 -1.528 1.00 0.00 C ATOM 1231 CG HIS A 83 2.926 -5.738 -0.329 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.239 -5.643 0.870 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.119 -5.088 -0.129 1.00 0.00 C ATOM 1234 CE1 HIS A 83 3.015 -4.963 1.731 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.171 -4.602 1.172 1.00 0.00 N ATOM 0 H HIS A 83 3.028 -5.026 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 83 4.391 -7.193 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.697 -5.789 -2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.775 -7.310 -1.215 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.312 -6.021 1.064 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.897 -4.972 -0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.737 -4.737 2.750 1.00 0.00 H new ATOM 1243 N LEU A 84 2.156 -8.007 -4.099 1.00 0.00 N ATOM 1244 CA LEU A 84 1.783 -9.153 -4.963 1.00 0.00 C ATOM 1245 C LEU A 84 3.013 -9.638 -5.733 1.00 0.00 C ATOM 1246 O LEU A 84 3.160 -10.808 -6.022 1.00 0.00 O ATOM 1247 CB LEU A 84 0.742 -8.575 -5.915 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.507 -9.450 -5.893 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.712 -8.631 -6.354 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.312 -10.646 -6.826 1.00 0.00 C ATOM 0 H LEU A 84 1.582 -7.172 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 84 1.401 -10.008 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.491 -7.556 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.146 -8.525 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.680 -9.809 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.605 -9.256 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.852 -7.782 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.540 -8.270 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.205 -11.270 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.137 -10.291 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.546 -11.231 -6.493 1.00 0.00 H new ATOM 1262 N GLU A 85 3.905 -8.739 -6.057 1.00 0.00 N ATOM 1263 CA GLU A 85 5.133 -9.138 -6.799 1.00 0.00 C ATOM 1264 C GLU A 85 6.193 -9.638 -5.814 1.00 0.00 C ATOM 1265 O GLU A 85 6.732 -10.717 -5.961 1.00 0.00 O ATOM 1266 CB GLU A 85 5.607 -7.864 -7.498 1.00 0.00 C ATOM 1267 CG GLU A 85 4.778 -7.638 -8.764 1.00 0.00 C ATOM 1268 CD GLU A 85 5.695 -7.668 -9.989 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.020 -8.755 -10.434 1.00 0.00 O ATOM 1270 OE2 GLU A 85 6.056 -6.601 -10.458 1.00 0.00 O ATOM 0 H GLU A 85 3.834 -7.745 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 85 4.948 -9.943 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.507 -7.010 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.664 -7.948 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.012 -8.408 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.262 -6.680 -8.707 1.00 0.00 H new ATOM 1277 N THR A 86 6.489 -8.864 -4.803 1.00 0.00 N ATOM 1278 CA THR A 86 7.505 -9.305 -3.805 1.00 0.00 C ATOM 1279 C THR A 86 7.108 -10.671 -3.242 1.00 0.00 C ATOM 1280 O THR A 86 7.916 -11.382 -2.678 1.00 0.00 O ATOM 1281 CB THR A 86 7.481 -8.232 -2.711 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.302 -7.141 -3.105 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.007 -8.817 -1.398 1.00 0.00 C ATOM 0 H THR A 86 6.073 -7.950 -4.626 1.00 0.00 H new ATOM 0 HA THR A 86 8.501 -9.412 -4.234 1.00 0.00 H new ATOM 0 HB THR A 86 6.457 -7.888 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.753 -6.462 -3.550 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.988 -8.050 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.378 -9.654 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.030 -9.165 -1.539 1.00 0.00 H new ATOM 1291 N ALA A 87 5.866 -11.045 -3.400 1.00 0.00 N ATOM 1292 CA ALA A 87 5.409 -12.366 -2.884 1.00 0.00 C ATOM 1293 C ALA A 87 5.637 -13.446 -3.943 1.00 0.00 C ATOM 1294 O ALA A 87 5.970 -14.574 -3.636 1.00 0.00 O ATOM 1295 CB ALA A 87 3.914 -12.190 -2.608 1.00 0.00 C ATOM 0 H ALA A 87 5.148 -10.490 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 87 5.952 -12.674 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.503 -13.123 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.771 -11.400 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.403 -11.921 -3.532 1.00 0.00 H new ATOM 1301 N GLY A 88 5.463 -13.105 -5.187 1.00 0.00 N ATOM 1302 CA GLY A 88 5.669 -14.104 -6.273 1.00 0.00 C ATOM 1303 C GLY A 88 4.714 -15.281 -6.075 1.00 0.00 C ATOM 1304 O GLY A 88 3.563 -15.109 -5.725 1.00 0.00 O ATOM 0 H GLY A 88 5.186 -12.175 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.495 -13.641 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.701 -14.455 -6.267 1.00 0.00 H new ATOM 1308 N ALA A 89 5.183 -16.478 -6.296 1.00 0.00 N ATOM 1309 CA ALA A 89 4.304 -17.668 -6.121 1.00 0.00 C ATOM 1310 C ALA A 89 4.348 -18.151 -4.673 1.00 0.00 C ATOM 1311 O ALA A 89 4.517 -19.323 -4.402 1.00 0.00 O ATOM 1312 CB ALA A 89 4.889 -18.726 -7.047 1.00 0.00 C ATOM 0 H ALA A 89 6.138 -16.683 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 89 3.262 -17.447 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.297 -19.638 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.873 -18.360 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.917 -18.938 -6.754 1.00 0.00 H new ATOM 1318 N ASP A 90 4.193 -17.257 -3.741 1.00 0.00 N ATOM 1319 CA ASP A 90 4.220 -17.657 -2.313 1.00 0.00 C ATOM 1320 C ASP A 90 2.880 -17.322 -1.667 1.00 0.00 C ATOM 1321 O ASP A 90 2.726 -16.322 -0.998 1.00 0.00 O ATOM 1322 CB ASP A 90 5.348 -16.838 -1.695 1.00 0.00 C ATOM 1323 CG ASP A 90 5.425 -17.118 -0.193 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.446 -17.600 0.351 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.462 -16.845 0.388 1.00 0.00 O ATOM 0 H ASP A 90 4.048 -16.261 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 90 4.384 -18.726 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.296 -17.090 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.176 -15.776 -1.868 1.00 0.00 H new ATOM 1330 N ALA A 91 1.910 -18.158 -1.884 1.00 0.00 N ATOM 1331 CA ALA A 91 0.554 -17.916 -1.304 1.00 0.00 C ATOM 1332 C ALA A 91 0.674 -17.348 0.112 1.00 0.00 C ATOM 1333 O ALA A 91 -0.197 -16.643 0.584 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.115 -19.289 -1.277 1.00 0.00 C ATOM 0 H ALA A 91 1.993 -19.008 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.020 -17.194 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.119 -19.196 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.176 -19.684 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.472 -19.968 -0.658 1.00 0.00 H new ATOM 1340 N ALA A 92 1.752 -17.632 0.787 1.00 0.00 N ATOM 1341 CA ALA A 92 1.933 -17.089 2.162 1.00 0.00 C ATOM 1342 C ALA A 92 2.338 -15.625 2.057 1.00 0.00 C ATOM 1343 O ALA A 92 1.888 -14.783 2.806 1.00 0.00 O ATOM 1344 CB ALA A 92 3.056 -17.922 2.781 1.00 0.00 C ATOM 0 H ALA A 92 2.515 -18.216 0.446 1.00 0.00 H new ATOM 0 HA ALA A 92 1.028 -17.143 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.246 -17.578 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.762 -18.971 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.962 -17.811 2.185 1.00 0.00 H new ATOM 1350 N LYS A 93 3.173 -15.321 1.108 1.00 0.00 N ATOM 1351 CA LYS A 93 3.604 -13.917 0.913 1.00 0.00 C ATOM 1352 C LYS A 93 2.467 -13.127 0.267 1.00 0.00 C ATOM 1353 O LYS A 93 2.381 -11.922 0.388 1.00 0.00 O ATOM 1354 CB LYS A 93 4.795 -14.016 -0.032 1.00 0.00 C ATOM 1355 CG LYS A 93 6.089 -14.007 0.779 1.00 0.00 C ATOM 1356 CD LYS A 93 7.287 -13.919 -0.169 1.00 0.00 C ATOM 1357 CE LYS A 93 8.582 -14.085 0.630 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.108 -15.422 0.234 1.00 0.00 N ATOM 0 H LYS A 93 3.578 -15.992 0.455 1.00 0.00 H new ATOM 0 HA LYS A 93 3.863 -13.411 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.730 -14.930 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.787 -13.182 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.093 -13.161 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.157 -14.911 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.217 -14.693 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.286 -12.959 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.295 -13.295 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.394 -14.036 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.828 -15.729 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.329 -16.111 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.535 -15.361 -0.712 1.00 0.00 H new ATOM 1372 N LYS A 94 1.584 -13.805 -0.415 1.00 0.00 N ATOM 1373 CA LYS A 94 0.445 -13.095 -1.062 1.00 0.00 C ATOM 1374 C LYS A 94 -0.599 -12.724 -0.006 1.00 0.00 C ATOM 1375 O LYS A 94 -1.341 -11.775 -0.156 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.131 -14.091 -2.068 1.00 0.00 C ATOM 1377 CG LYS A 94 0.195 -13.624 -3.489 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.976 -13.954 -4.417 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.439 -14.392 -5.782 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.329 -15.509 -6.203 1.00 0.00 N ATOM 0 H LYS A 94 1.602 -14.816 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 94 0.753 -12.170 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.287 -15.083 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.210 -14.172 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.386 -12.551 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.103 -14.112 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.585 -14.747 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.620 -13.082 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.468 -13.572 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.599 -14.718 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.025 -15.864 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.276 -16.277 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.309 -15.167 -6.267 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.650 -13.463 1.068 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.633 -13.152 2.144 1.00 0.00 C ATOM 1396 C LYS A 95 -1.022 -12.148 3.124 1.00 0.00 C ATOM 1397 O LYS A 95 -1.717 -11.473 3.858 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.899 -14.491 2.836 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.761 -14.806 3.809 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.236 -14.575 5.244 1.00 0.00 C ATOM 1401 CE LYS A 95 -0.024 -14.474 6.174 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.594 -14.465 7.550 1.00 0.00 N ATOM 0 H LYS A 95 -0.052 -14.270 1.247 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.551 -12.708 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.848 -14.452 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.985 -15.284 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.437 -15.839 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.101 -14.174 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.827 -13.661 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.883 -15.393 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.653 -15.316 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.549 -13.568 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.177 -14.398 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.229 -13.649 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.128 -15.343 7.710 1.00 0.00 H new ATOM 1416 N GLU A 96 0.278 -12.047 3.133 1.00 0.00 N ATOM 1417 CA GLU A 96 0.954 -11.091 4.052 1.00 0.00 C ATOM 1418 C GLU A 96 1.207 -9.773 3.325 1.00 0.00 C ATOM 1419 O GLU A 96 0.988 -8.700 3.849 1.00 0.00 O ATOM 1420 CB GLU A 96 2.273 -11.774 4.407 1.00 0.00 C ATOM 1421 CG GLU A 96 3.185 -11.815 3.191 1.00 0.00 C ATOM 1422 CD GLU A 96 4.541 -12.400 3.598 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.560 -13.520 4.081 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.536 -11.715 3.422 1.00 0.00 O ATOM 0 H GLU A 96 0.905 -12.590 2.539 1.00 0.00 H new ATOM 0 HA GLU A 96 0.362 -10.859 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.762 -11.237 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.083 -12.787 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.735 -12.421 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.315 -10.812 2.785 1.00 0.00 H new ATOM 1431 N LEU A 97 1.672 -9.860 2.117 1.00 0.00 N ATOM 1432 CA LEU A 97 1.954 -8.633 1.323 1.00 0.00 C ATOM 1433 C LEU A 97 0.661 -8.058 0.742 1.00 0.00 C ATOM 1434 O LEU A 97 0.262 -6.958 1.066 1.00 0.00 O ATOM 1435 CB LEU A 97 2.881 -9.104 0.209 1.00 0.00 C ATOM 1436 CG LEU A 97 4.112 -9.767 0.826 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.209 -9.862 -0.226 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.612 -8.930 2.007 1.00 0.00 C ATOM 0 H LEU A 97 1.872 -10.738 1.637 1.00 0.00 H new ATOM 0 HA LEU A 97 2.399 -7.842 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.361 -9.808 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.181 -8.260 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 97 3.850 -10.765 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.090 -10.334 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.856 -10.458 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.468 -8.862 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.490 -9.406 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.876 -7.931 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.827 -8.856 2.759 1.00 0.00 H new ATOM 1450 N THR A 98 0.008 -8.784 -0.114 1.00 0.00 N ATOM 1451 CA THR A 98 -1.253 -8.259 -0.715 1.00 0.00 C ATOM 1452 C THR A 98 -2.464 -8.649 0.126 1.00 0.00 C ATOM 1453 O THR A 98 -3.516 -8.050 0.026 1.00 0.00 O ATOM 1454 CB THR A 98 -1.339 -8.907 -2.093 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.202 -10.315 -1.962 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.220 -8.362 -2.977 1.00 0.00 C ATOM 0 H THR A 98 0.287 -9.714 -0.426 1.00 0.00 H new ATOM 0 HA THR A 98 -1.247 -7.170 -0.768 1.00 0.00 H new ATOM 0 HB THR A 98 -2.304 -8.679 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.454 -10.585 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.278 -8.823 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.327 -7.282 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.745 -8.592 -2.525 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.332 -9.641 0.951 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.486 -10.047 1.788 1.00 0.00 C ATOM 1466 C GLY A 99 -4.102 -8.804 2.416 1.00 0.00 C ATOM 1467 O GLY A 99 -3.432 -8.021 3.055 1.00 0.00 O ATOM 0 H GLY A 99 -1.480 -10.186 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.226 -10.569 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.163 -10.741 2.564 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.369 -8.606 2.242 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.005 -7.406 2.849 1.00 0.00 C ATOM 1473 C CYS A 100 -6.268 -7.667 4.322 1.00 0.00 C ATOM 1474 O CYS A 100 -5.714 -7.029 5.184 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.339 -7.188 2.135 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.382 -8.056 0.540 1.00 0.00 S ATOM 0 H CYS A 100 -5.992 -9.214 1.711 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.359 -6.533 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.154 -7.542 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.499 -6.122 1.976 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.116 -8.600 4.616 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.415 -8.892 6.042 1.00 0.00 C ATOM 1483 C LYS A 101 -6.617 -10.110 6.515 1.00 0.00 C ATOM 1484 O LYS A 101 -6.846 -11.221 6.082 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.917 -9.179 6.084 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.665 -8.107 5.292 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.166 -8.222 5.565 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.945 -7.884 4.291 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.151 -7.147 4.762 1.00 0.00 N ATOM 0 H LYS A 101 -7.616 -9.174 3.937 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.142 -8.065 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.121 -10.164 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.266 -9.193 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.308 -7.116 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.469 -8.224 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.410 -9.232 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.453 -7.545 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.348 -7.273 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.222 -8.787 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.736 -6.881 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.703 -7.756 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.857 -6.289 5.271 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.680 -9.908 7.400 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.869 -11.052 7.901 1.00 0.00 C ATOM 1505 C GLY A 102 -3.434 -10.931 7.383 1.00 0.00 C ATOM 1506 O GLY A 102 -2.571 -11.714 7.728 1.00 0.00 O ATOM 0 H GLY A 102 -5.441 -9.000 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.873 -11.064 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.307 -11.994 7.571 1.00 0.00 H new ATOM 1510 N SER A 103 -3.171 -9.958 6.554 1.00 0.00 N ATOM 1511 CA SER A 103 -1.793 -9.790 6.013 1.00 0.00 C ATOM 1512 C SER A 103 -0.915 -9.032 7.009 1.00 0.00 C ATOM 1513 O SER A 103 -1.134 -9.067 8.203 1.00 0.00 O ATOM 1514 CB SER A 103 -1.968 -8.971 4.738 1.00 0.00 C ATOM 1515 OG SER A 103 -2.518 -7.703 5.071 1.00 0.00 O ATOM 0 H SER A 103 -3.852 -9.272 6.228 1.00 0.00 H new ATOM 0 HA SER A 103 -1.308 -10.748 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.008 -8.845 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.624 -9.494 4.042 1.00 0.00 H new ATOM 0 HG SER A 103 -2.974 -7.329 4.289 1.00 0.00 H new ATOM 1521 N LYS A 104 0.071 -8.340 6.516 1.00 0.00 N ATOM 1522 CA LYS A 104 0.969 -7.561 7.408 1.00 0.00 C ATOM 1523 C LYS A 104 0.573 -6.098 7.341 1.00 0.00 C ATOM 1524 O LYS A 104 0.791 -5.323 8.252 1.00 0.00 O ATOM 1525 CB LYS A 104 2.353 -7.742 6.801 1.00 0.00 C ATOM 1526 CG LYS A 104 2.806 -9.193 6.972 1.00 0.00 C ATOM 1527 CD LYS A 104 3.984 -9.251 7.944 1.00 0.00 C ATOM 1528 CE LYS A 104 4.137 -10.678 8.478 1.00 0.00 C ATOM 1529 NZ LYS A 104 3.576 -10.634 9.856 1.00 0.00 N ATOM 0 H LYS A 104 0.295 -8.281 5.523 1.00 0.00 H new ATOM 0 HA LYS A 104 0.925 -7.882 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.334 -7.479 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.063 -7.070 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.982 -9.800 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.096 -9.610 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.900 -8.940 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.822 -8.558 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.599 -11.393 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.182 -10.987 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.645 -11.577 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.112 -9.950 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.578 -10.344 9.815 1.00 0.00 H new ATOM 1543 N CYS A 105 0.010 -5.727 6.235 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.401 -4.323 6.023 1.00 0.00 C ATOM 1545 C CYS A 105 -1.733 -4.032 6.726 1.00 0.00 C ATOM 1546 O CYS A 105 -2.028 -2.906 7.071 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.552 -4.229 4.510 1.00 0.00 C ATOM 1548 SG CYS A 105 0.251 -2.721 3.910 1.00 0.00 S ATOM 0 H CYS A 105 -0.186 -6.352 5.453 1.00 0.00 H new ATOM 0 HA CYS A 105 0.310 -3.602 6.427 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.107 -5.103 4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.608 -4.223 4.240 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.537 -5.037 6.941 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.847 -4.813 7.622 1.00 0.00 C ATOM 1555 C HIS A 106 -3.929 -5.650 8.901 1.00 0.00 C ATOM 1556 O HIS A 106 -4.777 -6.510 9.037 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.898 -5.273 6.613 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.285 -4.117 5.729 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.336 -2.819 6.210 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.588 -4.037 4.386 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.646 -2.016 5.180 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.803 -2.699 4.043 1.00 0.00 N ATOM 0 H HIS A 106 -2.345 -6.003 6.676 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.989 -3.773 7.915 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.504 -6.091 6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.775 -5.656 7.135 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.168 -2.526 7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.649 -4.875 3.707 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.755 -0.945 5.261 1.00 0.00 H new ATOM 1570 N SER A 107 -3.056 -5.407 9.839 1.00 0.00 N ATOM 1571 CA SER A 107 -3.087 -6.190 11.108 1.00 0.00 C ATOM 1572 C SER A 107 -4.393 -5.924 11.861 1.00 0.00 C ATOM 1573 O SER A 107 -4.595 -6.546 12.892 1.00 0.00 O ATOM 1574 CB SER A 107 -1.891 -5.687 11.912 1.00 0.00 C ATOM 1575 OG SER A 107 -1.865 -6.343 13.174 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.167 -5.104 11.395 1.00 0.00 O ATOM 0 H SER A 107 -2.322 -4.701 9.783 1.00 0.00 H new ATOM 0 HA SER A 107 -3.036 -7.265 10.933 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.966 -5.881 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.959 -4.608 12.051 1.00 0.00 H new ATOM 0 HG SER A 107 -2.777 -6.593 13.432 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.233 6.668 3.428 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.725 8.187 5.114 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.389 8.991 4.594 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.757 5.158 1.756 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.087 4.364 2.303 1.00 0.00 C HETATM 1588 NA HEC A 201 9.082 8.235 4.555 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.965 8.711 5.202 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.257 9.791 6.080 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.565 10.002 5.993 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.078 9.078 4.994 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.295 10.869 6.993 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.285 10.533 6.976 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.796 11.800 6.277 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.740 12.959 6.599 1.00 0.00 C HETATM 1597 O1A HEC A 201 8.675 13.164 5.842 1.00 0.00 O HETATM 1598 O2A HEC A 201 7.515 13.621 7.599 1.00 0.00 O HETATM 1599 NB HEC A 201 11.133 6.996 3.223 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.887 8.007 3.779 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.278 7.892 3.408 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.377 6.824 2.598 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.051 6.275 2.488 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.422 8.774 3.873 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.635 6.293 1.927 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.661 5.749 2.923 1.00 0.00 C HETATM 1607 NC HEC A 201 9.399 5.093 2.310 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.519 4.591 1.686 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.218 3.429 0.889 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.897 3.244 1.010 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.397 4.256 1.905 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.191 2.576 0.093 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.042 2.223 0.294 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.526 0.784 0.478 1.00 0.00 C HETATM 1615 ND HEC A 201 7.339 6.350 3.659 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.591 5.315 3.163 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.229 5.383 3.651 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.131 6.521 4.358 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.433 7.086 4.382 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.167 4.312 3.548 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.919 7.141 5.027 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.221 6.123 5.928 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.251 6.847 6.863 1.00 0.00 C HETATM 1624 O1D HEC A 201 1.920 7.986 6.575 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.855 6.252 7.852 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.981 4.084 2.499 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.507 3.412 4.060 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.246 4.667 4.011 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.686 3.193 -0.657 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.937 2.152 0.765 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.648 1.770 -0.401 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.229 9.805 3.578 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.508 8.717 4.958 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.352 8.434 3.417 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.880 11.877 6.972 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.178 10.449 7.992 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.354 10.907 6.737 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.683 5.394 5.322 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 3.959 5.571 6.510 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.540 0.689 0.090 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.518 0.530 1.538 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.866 0.106 -0.063 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.961 6.543 3.606 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.219 4.930 3.490 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.535 5.385 2.383 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.754 11.640 5.200 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.784 12.040 6.603 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.225 8.006 5.616 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.223 7.501 4.269 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.438 9.891 7.218 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.769 10.791 7.918 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.382 3.635 1.904 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.564 4.691 1.192 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.080 9.756 4.948 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.917 8.675 5.660 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.982 8.503 -5.387 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.762 8.038 -8.487 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.868 5.203 -4.917 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.204 8.914 -2.274 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.852 11.822 -5.837 1.00 0.00 C HETATM 1663 NA HEC A 202 2.423 7.000 -6.431 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.813 6.993 -7.648 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.218 5.737 -7.932 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.574 4.914 -6.954 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.347 5.695 -6.050 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.161 3.471 -6.808 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.337 5.376 -9.093 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.730 6.427 -9.402 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.506 6.010 -10.653 1.00 0.00 C HETATM 1672 O1A HEC A 202 -1.484 4.834 -10.976 1.00 0.00 O HETATM 1673 O2A HEC A 202 -2.109 6.874 -11.268 1.00 0.00 O HETATM 1674 NB HEC A 202 3.522 7.327 -3.979 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.445 5.954 -3.960 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.848 5.393 -2.716 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.155 6.418 -1.926 1.00 0.00 C HETATM 1678 C4B HEC A 202 3.980 7.632 -2.715 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.909 3.917 -2.358 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.551 6.223 -0.480 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.064 6.131 -0.300 1.00 0.00 C HETATM 1682 NC HEC A 202 3.493 10.023 -4.319 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.999 10.043 -3.038 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.171 11.403 -2.571 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.699 12.193 -3.567 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.342 11.338 -4.650 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.770 11.846 -1.246 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.391 13.676 -3.584 1.00 0.00 C HETATM 1689 CBC HEC A 202 3.928 14.461 -2.389 1.00 0.00 C HETATM 1690 ND HEC A 202 2.429 9.671 -6.842 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.433 11.044 -6.891 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.165 11.512 -8.241 1.00 0.00 C HETATM 1693 C3D HEC A 202 2.013 10.410 -9.005 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.092 9.302 -8.119 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.089 12.943 -8.732 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.983 10.261 -10.516 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.287 10.764 -11.133 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.012 11.321 -12.531 1.00 0.00 C HETATM 1699 O1D HEC A 202 2.164 12.191 -12.645 1.00 0.00 O HETATM 1700 O2D HEC A 202 3.654 10.869 -13.465 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.299 13.470 -8.197 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 3.042 13.440 -8.553 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.871 12.950 -9.800 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.182 11.435 -0.425 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.797 11.487 -1.173 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.761 12.934 -1.189 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.916 3.478 -2.455 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.598 3.407 -3.031 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.256 3.806 -1.331 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.075 3.409 -6.735 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.499 2.906 -7.677 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.610 3.054 -5.907 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.725 11.537 -10.502 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.011 9.951 -11.190 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.498 14.064 -1.470 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.013 14.369 -2.351 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 3.657 15.512 -2.492 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.448 5.286 -0.871 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.529 7.050 -0.656 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.297 5.991 0.756 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.410 6.531 -8.556 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.264 7.400 -9.557 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.829 9.215 -10.780 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.142 10.820 -10.925 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 0.957 5.229 -9.977 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.152 4.424 -8.885 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.790 12.904 -5.953 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.567 9.047 -1.255 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.821 4.125 -4.760 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.440 7.864 -9.514 1.00 0.00 H new HETATM 0 HAC HEC A 202 2.828 14.148 -4.389 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.888 -3.451 2.102 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.778 -6.064 4.044 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.667 -2.453 4.417 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.125 -0.739 0.238 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.239 -4.339 -0.161 1.00 0.00 C HETATM 1738 NA HEC A 203 5.340 -4.113 3.846 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.794 -5.227 4.513 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.072 -5.419 5.746 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.186 -4.420 5.842 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.362 -3.605 4.670 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.184 -4.230 6.967 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.220 -6.542 6.752 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.685 -6.949 6.926 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.975 -7.192 8.408 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.524 -6.398 9.217 1.00 0.00 O HETATM 1748 O2A HEC A 203 7.641 -8.169 8.708 1.00 0.00 O HETATM 1749 NB HEC A 203 4.717 -1.909 2.318 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.859 -1.639 3.348 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.132 -0.415 3.147 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.525 0.046 1.955 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.519 -0.864 1.457 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.110 0.210 4.081 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.890 1.149 1.150 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.600 2.505 1.246 1.00 0.00 C HETATM 1757 NC HEC A 203 6.509 -2.727 0.406 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.065 -1.604 -0.255 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.729 -1.434 -1.522 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.589 -2.464 -1.630 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.470 -3.238 -0.429 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.496 -0.319 -2.529 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.450 -2.816 -2.820 1.00 0.00 C HETATM 1764 CBC HEC A 203 9.094 -1.578 -3.446 1.00 0.00 C HETATM 1765 ND HEC A 203 7.183 -4.911 1.948 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.114 -5.122 0.957 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.962 -6.249 1.262 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.524 -6.755 2.426 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.429 -5.918 2.850 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.165 -6.737 0.476 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.087 -7.964 3.154 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.602 -9.265 2.510 1.00 0.00 C HETATM 1773 CGD HEC A 203 8.526 -10.363 3.572 1.00 0.00 C HETATM 1774 O1D HEC A 203 7.677 -10.263 4.441 1.00 0.00 O HETATM 1775 O2D HEC A 203 9.319 -11.287 3.497 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.856 -7.004 -0.535 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.914 -5.947 0.429 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.591 -7.612 0.968 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.456 -0.335 -2.856 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.715 0.642 -2.065 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.149 -0.464 -3.390 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.280 -0.481 4.227 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.578 0.423 5.042 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.738 1.137 3.645 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.523 -5.096 7.016 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.715 -4.125 7.913 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.594 -3.333 6.781 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.622 -9.115 2.056 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.281 -9.563 1.711 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.315 -0.892 -3.780 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.722 -1.081 -2.706 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.704 -1.877 -4.298 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.609 2.838 2.284 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.625 2.405 0.888 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.072 3.236 0.634 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.893 -7.851 6.351 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.339 -6.167 6.540 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.176 -7.929 3.137 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.784 -7.937 4.201 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.812 -6.228 7.713 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.638 -7.404 6.425 1.00 0.00 H new HETATM 0 HHD HEC A 203 9.004 -4.612 -0.888 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.840 0.109 -0.385 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.896 -2.166 5.133 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.061 -6.909 4.672 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.744 -1.777 2.114 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.484 1.223 3.469 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.943 -2.180 1.222 1.00 0.00 C HETATM 1811 CHC HEC A 204 -4.979 -4.857 0.977 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.461 -1.140 2.535 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.370 -0.789 2.438 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.515 0.436 3.047 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.847 0.944 2.913 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.537 0.038 2.198 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.626 -1.057 1.945 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.939 0.213 1.637 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.339 2.295 3.402 1.00 0.00 C HETATM 1820 CBA HEC A 204 -9.843 3.122 2.220 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.140 4.548 2.685 1.00 0.00 C HETATM 1822 O1A HEC A 204 -9.883 5.465 1.923 1.00 0.00 O HETATM 1823 O2A HEC A 204 -10.621 4.700 3.796 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.739 -3.201 1.298 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.059 -3.184 0.906 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.389 -4.347 0.117 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.270 -5.095 0.093 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.264 -4.395 0.824 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.723 -4.663 -0.541 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.089 -6.518 -0.366 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.661 -6.573 -1.827 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.104 -2.762 1.793 1.00 0.00 N HETATM 1833 C1C HEC A 204 -3.962 -4.084 1.441 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.601 -4.536 1.576 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.904 -3.452 1.945 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.822 -2.363 2.048 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.084 -5.959 1.450 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.468 -3.374 2.387 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.524 -3.384 1.223 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.709 -0.288 2.807 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.342 -0.159 2.886 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.954 1.114 3.446 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.097 1.769 3.710 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.169 0.894 3.335 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.543 1.614 3.706 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.242 3.180 4.248 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.819 3.248 5.714 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.491 4.447 6.384 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.039 5.557 6.159 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.445 4.234 7.115 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.041 0.942 4.402 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -0.989 1.645 2.768 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.585 2.615 4.135 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.565 -6.589 2.198 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.310 -6.341 0.455 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.005 -5.969 1.606 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.499 -4.725 0.222 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -9.974 -3.875 -1.251 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.653 -5.616 -1.066 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.638 0.395 2.454 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -10.953 1.060 0.951 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.233 -0.691 1.103 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.098 2.328 6.227 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.735 3.337 5.787 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.406 -4.305 0.652 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.333 -2.529 0.575 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.541 -3.325 1.611 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.423 -6.101 -2.447 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.715 -6.045 -1.949 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.538 -7.612 -2.131 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.096 3.135 1.427 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.743 2.669 1.803 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.633 3.864 3.657 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.277 3.508 4.148 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.139 2.159 4.130 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.532 2.824 3.910 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.397 -0.933 2.651 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.765 -5.893 0.714 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.970 -2.283 0.873 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.727 2.174 3.943 1.00 0.00 H new