USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=21 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 98:sc= 0.675 USER MOD Set 1.2: A 78 SER OG : rot 154:sc= 0.342! USER MOD Set 2.1: A 11 MET CE :methyl -127:sc= -4.1 (180deg=-8.39!) USER MOD Set 2.2: A 65 TYR OH : rot 128:sc= -3.23! USER MOD Set 3.1: A 44 GLN : amide:sc= -4.57! C(o=-4.1!,f=-12!) USER MOD Set 3.2: A 48 THR OG1 : rot -50:sc= 0.484 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 13:sc= -2.4! 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! C(o=-7!,f=-5.6!) USER MOD Single : A 23 SER OG : rot 151:sc= 0.432 USER MOD Single : A 24 THR OG1 : rot 86:sc= -1.48! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -0.0488 (180deg=-0.823) USER MOD Single : A 38 ASN : amide:sc= -0.0474! K(o=-0.047!,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.67! K(o=-3.7!,f=-1.5) USER MOD Single : A 55 MET CE :methyl -121:sc= -0.786 (180deg=-4.14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -130:sc= -1.89 USER MOD Single : A 67 HIS : no HE2:sc= -17.7! C(o=-18!,f=-30!) USER MOD Single : A 69 MET CE :methyl -169:sc= -3.08! (180deg=-3.88!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= -0.029 (180deg=-0.316) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 90:sc= 0.829 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= -0.104 (180deg=-0.937) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 2:sc= 0.297 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -132:sc= 0.587! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.365 15.297 1.577 1.00 0.00 N ATOM 2 CA ALA A 1 19.468 13.928 2.161 1.00 0.00 C ATOM 3 C ALA A 1 18.310 13.679 3.132 1.00 0.00 C ATOM 4 O ALA A 1 18.313 14.173 4.242 1.00 0.00 O ATOM 5 CB ALA A 1 20.804 13.914 2.906 1.00 0.00 C ATOM 0 H1 ALA A 1 20.156 15.455 0.920 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.465 15.389 1.064 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.402 16.003 2.339 1.00 0.00 H new ATOM 0 HA ALA A 1 19.418 13.150 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.954 12.937 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.614 14.114 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.797 14.682 3.680 1.00 0.00 H new ATOM 13 N PRO A 2 17.356 12.914 2.675 1.00 0.00 N ATOM 14 CA PRO A 2 16.173 12.590 3.508 1.00 0.00 C ATOM 15 C PRO A 2 16.541 11.593 4.607 1.00 0.00 C ATOM 16 O PRO A 2 17.167 10.583 4.356 1.00 0.00 O ATOM 17 CB PRO A 2 15.200 11.953 2.522 1.00 0.00 C ATOM 18 CG PRO A 2 16.059 11.417 1.420 1.00 0.00 C ATOM 19 CD PRO A 2 17.289 12.287 1.351 1.00 0.00 C ATOM 0 HA PRO A 2 15.761 13.465 4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.623 11.158 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.485 12.684 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.332 10.380 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.522 11.433 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.183 11.699 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.206 13.033 0.560 1.00 0.00 H new ATOM 27 N LYS A 3 16.147 11.860 5.819 1.00 0.00 N ATOM 28 CA LYS A 3 16.464 10.913 6.921 1.00 0.00 C ATOM 29 C LYS A 3 15.260 10.020 7.195 1.00 0.00 C ATOM 30 O LYS A 3 14.429 10.311 8.033 1.00 0.00 O ATOM 31 CB LYS A 3 16.758 11.772 8.138 1.00 0.00 C ATOM 32 CG LYS A 3 17.733 12.890 7.764 1.00 0.00 C ATOM 33 CD LYS A 3 17.627 14.021 8.791 1.00 0.00 C ATOM 34 CE LYS A 3 19.017 14.341 9.345 1.00 0.00 C ATOM 35 NZ LYS A 3 18.866 15.657 10.026 1.00 0.00 N ATOM 0 H LYS A 3 15.621 12.690 6.094 1.00 0.00 H new ATOM 0 HA LYS A 3 17.308 10.270 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.833 12.199 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.182 11.159 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.752 12.504 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.506 13.267 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.196 14.908 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.959 13.729 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.351 13.572 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.758 14.392 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.779 15.944 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.554 16.371 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.160 15.576 10.785 1.00 0.00 H new ATOM 49 N ALA A 4 15.165 8.941 6.489 1.00 0.00 N ATOM 50 CA ALA A 4 14.017 8.010 6.690 1.00 0.00 C ATOM 51 C ALA A 4 13.700 7.886 8.182 1.00 0.00 C ATOM 52 O ALA A 4 14.592 7.777 9.000 1.00 0.00 O ATOM 53 CB ALA A 4 14.486 6.668 6.126 1.00 0.00 C ATOM 0 H ALA A 4 15.834 8.655 5.774 1.00 0.00 H new ATOM 0 HA ALA A 4 13.109 8.359 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.693 5.929 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.729 6.782 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.371 6.335 6.668 1.00 0.00 H new ATOM 59 N PRO A 5 12.432 7.910 8.483 1.00 0.00 N ATOM 60 CA PRO A 5 11.986 7.803 9.886 1.00 0.00 C ATOM 61 C PRO A 5 12.083 6.360 10.374 1.00 0.00 C ATOM 62 O PRO A 5 12.185 5.432 9.596 1.00 0.00 O ATOM 63 CB PRO A 5 10.541 8.287 9.845 1.00 0.00 C ATOM 64 CG PRO A 5 10.082 8.079 8.432 1.00 0.00 C ATOM 65 CD PRO A 5 11.311 8.035 7.551 1.00 0.00 C ATOM 0 HA PRO A 5 12.597 8.386 10.576 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.921 7.727 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.472 9.337 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.517 7.151 8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.418 8.886 8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.274 7.192 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.397 8.938 6.946 1.00 0.00 H new ATOM 73 N ALA A 6 12.065 6.169 11.661 1.00 0.00 N ATOM 74 CA ALA A 6 12.169 4.795 12.213 1.00 0.00 C ATOM 75 C ALA A 6 11.051 3.917 11.659 1.00 0.00 C ATOM 76 O ALA A 6 10.194 4.365 10.923 1.00 0.00 O ATOM 77 CB ALA A 6 12.020 4.963 13.725 1.00 0.00 C ATOM 0 H ALA A 6 11.982 6.910 12.357 1.00 0.00 H new ATOM 0 HA ALA A 6 13.110 4.314 11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.086 3.988 14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.815 5.608 14.100 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.053 5.413 13.947 1.00 0.00 H new ATOM 83 N ASP A 7 11.055 2.669 12.019 1.00 0.00 N ATOM 84 CA ASP A 7 10.001 1.745 11.534 1.00 0.00 C ATOM 85 C ASP A 7 8.771 1.860 12.433 1.00 0.00 C ATOM 86 O ASP A 7 8.843 2.352 13.541 1.00 0.00 O ATOM 87 CB ASP A 7 10.620 0.354 11.648 1.00 0.00 C ATOM 88 CG ASP A 7 12.055 0.385 11.118 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.245 0.864 10.012 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.937 -0.070 11.825 1.00 0.00 O ATOM 0 H ASP A 7 11.750 2.246 12.634 1.00 0.00 H new ATOM 0 HA ASP A 7 9.681 1.964 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.613 0.026 12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.028 -0.366 11.082 1.00 0.00 H new ATOM 95 N GLY A 8 7.651 1.407 11.966 1.00 0.00 N ATOM 96 CA GLY A 8 6.416 1.482 12.791 1.00 0.00 C ATOM 97 C GLY A 8 5.575 2.687 12.372 1.00 0.00 C ATOM 98 O GLY A 8 4.671 3.094 13.074 1.00 0.00 O ATOM 0 H GLY A 8 7.533 0.985 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.836 0.566 12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.679 1.562 13.846 1.00 0.00 H new ATOM 102 N LEU A 9 5.849 3.258 11.231 1.00 0.00 N ATOM 103 CA LEU A 9 5.040 4.424 10.785 1.00 0.00 C ATOM 104 C LEU A 9 3.595 3.985 10.628 1.00 0.00 C ATOM 105 O LEU A 9 3.306 2.993 9.998 1.00 0.00 O ATOM 106 CB LEU A 9 5.614 4.850 9.436 1.00 0.00 C ATOM 107 CG LEU A 9 5.939 6.343 9.478 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.174 6.610 8.619 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.760 7.155 8.929 1.00 0.00 C ATOM 0 H LEU A 9 6.592 2.970 10.594 1.00 0.00 H new ATOM 0 HA LEU A 9 5.073 5.248 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.513 4.276 9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.898 4.644 8.641 1.00 0.00 H new ATOM 0 HG LEU A 9 6.128 6.640 10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.412 7.673 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.018 6.040 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.975 6.307 7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.002 8.217 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.564 6.861 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.874 6.965 9.535 1.00 0.00 H new ATOM 121 N LYS A 10 2.687 4.703 11.206 1.00 0.00 N ATOM 122 CA LYS A 10 1.260 4.296 11.093 1.00 0.00 C ATOM 123 C LYS A 10 0.513 5.169 10.089 1.00 0.00 C ATOM 124 O LYS A 10 0.296 6.345 10.307 1.00 0.00 O ATOM 125 CB LYS A 10 0.675 4.474 12.488 1.00 0.00 C ATOM 126 CG LYS A 10 0.541 3.106 13.160 1.00 0.00 C ATOM 127 CD LYS A 10 -0.423 3.207 14.342 1.00 0.00 C ATOM 128 CE LYS A 10 -0.309 1.944 15.202 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.555 1.922 16.018 1.00 0.00 N ATOM 0 H LYS A 10 2.863 5.548 11.749 1.00 0.00 H new ATOM 0 HA LYS A 10 1.169 3.270 10.737 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.317 5.123 13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.299 4.959 12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.176 2.371 12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.517 2.761 13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.192 4.089 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.445 3.324 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.226 1.051 14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.578 1.976 15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.551 1.084 16.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.603 2.781 16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.382 1.885 15.388 1.00 0.00 H new ATOM 143 N MET A 11 0.094 4.588 9.004 1.00 0.00 N ATOM 144 CA MET A 11 -0.671 5.362 7.990 1.00 0.00 C ATOM 145 C MET A 11 -2.136 5.382 8.413 1.00 0.00 C ATOM 146 O MET A 11 -2.826 4.392 8.309 1.00 0.00 O ATOM 147 CB MET A 11 -0.502 4.591 6.678 1.00 0.00 C ATOM 148 CG MET A 11 0.413 5.364 5.725 1.00 0.00 C ATOM 149 SD MET A 11 -0.079 7.107 5.669 1.00 0.00 S ATOM 150 CE MET A 11 0.749 7.528 4.116 1.00 0.00 C ATOM 0 H MET A 11 0.248 3.606 8.774 1.00 0.00 H new ATOM 0 HA MET A 11 -0.329 6.392 7.886 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.081 3.606 6.878 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.475 4.434 6.212 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.449 5.281 6.055 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.361 4.931 4.726 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.387 8.398 4.268 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.357 6.685 3.788 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.002 7.755 3.355 1.00 0.00 H new ATOM 160 N ASP A 12 -2.611 6.484 8.914 1.00 0.00 N ATOM 161 CA ASP A 12 -4.032 6.530 9.364 1.00 0.00 C ATOM 162 C ASP A 12 -4.853 7.476 8.495 1.00 0.00 C ATOM 163 O ASP A 12 -5.918 7.920 8.876 1.00 0.00 O ATOM 164 CB ASP A 12 -3.976 7.037 10.800 1.00 0.00 C ATOM 165 CG ASP A 12 -2.928 8.146 10.920 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.236 9.267 10.551 1.00 0.00 O ATOM 167 OD2 ASP A 12 -1.836 7.854 11.380 1.00 0.00 O ATOM 0 H ASP A 12 -2.085 7.350 9.032 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.510 5.553 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.954 7.414 11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.730 6.217 11.475 1.00 0.00 H new ATOM 172 N LYS A 13 -4.373 7.780 7.333 1.00 0.00 N ATOM 173 CA LYS A 13 -5.130 8.690 6.434 1.00 0.00 C ATOM 174 C LYS A 13 -6.553 8.164 6.234 1.00 0.00 C ATOM 175 O LYS A 13 -7.476 8.912 5.979 1.00 0.00 O ATOM 176 CB LYS A 13 -4.357 8.659 5.122 1.00 0.00 C ATOM 177 CG LYS A 13 -3.173 9.622 5.211 1.00 0.00 C ATOM 178 CD LYS A 13 -3.679 11.030 5.532 1.00 0.00 C ATOM 179 CE LYS A 13 -2.555 12.044 5.300 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.496 12.843 6.555 1.00 0.00 N ATOM 0 H LYS A 13 -3.487 7.439 6.961 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.220 9.700 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.004 7.648 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.009 8.941 4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.478 9.290 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.624 9.628 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.536 11.272 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.019 11.078 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.606 11.544 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.765 12.677 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.748 13.561 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.411 13.312 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.288 12.215 7.357 1.00 0.00 H new ATOM 194 N THR A 14 -6.734 6.878 6.349 1.00 0.00 N ATOM 195 CA THR A 14 -8.097 6.290 6.166 1.00 0.00 C ATOM 196 C THR A 14 -8.574 5.622 7.460 1.00 0.00 C ATOM 197 O THR A 14 -7.891 5.633 8.466 1.00 0.00 O ATOM 198 CB THR A 14 -7.936 5.245 5.063 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.813 4.427 5.350 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.734 5.944 3.719 1.00 0.00 C ATOM 0 H THR A 14 -5.998 6.205 6.562 1.00 0.00 H new ATOM 0 HA THR A 14 -8.835 7.050 5.910 1.00 0.00 H new ATOM 0 HB THR A 14 -8.832 4.627 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.524 4.581 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.619 5.197 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.599 6.570 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.839 6.565 3.763 1.00 0.00 H new ATOM 208 N LYS A 15 -9.740 5.033 7.439 1.00 0.00 N ATOM 209 CA LYS A 15 -10.261 4.355 8.660 1.00 0.00 C ATOM 210 C LYS A 15 -9.422 3.111 8.956 1.00 0.00 C ATOM 211 O LYS A 15 -9.334 2.659 10.080 1.00 0.00 O ATOM 212 CB LYS A 15 -11.698 3.965 8.319 1.00 0.00 C ATOM 213 CG LYS A 15 -12.663 4.977 8.940 1.00 0.00 C ATOM 214 CD LYS A 15 -13.489 5.639 7.835 1.00 0.00 C ATOM 215 CE LYS A 15 -14.757 4.820 7.583 1.00 0.00 C ATOM 216 NZ LYS A 15 -14.986 4.907 6.114 1.00 0.00 N ATOM 0 H LYS A 15 -10.355 4.993 6.626 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.217 4.993 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.831 3.936 7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.913 2.964 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.321 4.479 9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.107 5.732 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.752 6.657 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.901 5.709 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.629 3.786 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.604 5.222 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.840 4.369 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.111 5.903 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.167 4.510 5.611 1.00 0.00 H new ATOM 230 N GLN A 16 -8.797 2.562 7.950 1.00 0.00 N ATOM 231 CA GLN A 16 -7.948 1.356 8.162 1.00 0.00 C ATOM 232 C GLN A 16 -6.477 1.769 8.141 1.00 0.00 C ATOM 233 O GLN A 16 -5.821 1.679 7.123 1.00 0.00 O ATOM 234 CB GLN A 16 -8.268 0.432 6.986 1.00 0.00 C ATOM 235 CG GLN A 16 -9.437 -0.482 7.357 1.00 0.00 C ATOM 236 CD GLN A 16 -9.282 -1.827 6.643 1.00 0.00 C ATOM 237 OE1 GLN A 16 -8.558 -2.689 7.099 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.937 -2.043 5.536 1.00 0.00 N ATOM 0 H GLN A 16 -8.838 2.898 6.988 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.138 0.865 9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.520 1.022 6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.393 -0.165 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.466 -0.633 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.381 -0.015 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.545 -1.319 5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.841 -2.936 5.053 1.00 0.00 H new ATOM 247 N PRO A 17 -6.015 2.228 9.270 1.00 0.00 N ATOM 248 CA PRO A 17 -4.609 2.689 9.394 1.00 0.00 C ATOM 249 C PRO A 17 -3.626 1.524 9.254 1.00 0.00 C ATOM 250 O PRO A 17 -3.781 0.485 9.867 1.00 0.00 O ATOM 251 CB PRO A 17 -4.553 3.294 10.795 1.00 0.00 C ATOM 252 CG PRO A 17 -5.660 2.624 11.541 1.00 0.00 C ATOM 253 CD PRO A 17 -6.747 2.358 10.534 1.00 0.00 C ATOM 0 HA PRO A 17 -4.328 3.398 8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.588 3.110 11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.692 4.375 10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.316 1.695 11.996 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.025 3.259 12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.302 1.451 10.772 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.470 3.173 10.498 1.00 0.00 H new ATOM 261 N VAL A 18 -2.611 1.697 8.451 1.00 0.00 N ATOM 262 CA VAL A 18 -1.605 0.617 8.262 1.00 0.00 C ATOM 263 C VAL A 18 -0.231 1.090 8.742 1.00 0.00 C ATOM 264 O VAL A 18 0.166 2.213 8.506 1.00 0.00 O ATOM 265 CB VAL A 18 -1.585 0.368 6.757 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.333 -0.428 6.395 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.831 -0.424 6.353 1.00 0.00 C ATOM 0 H VAL A 18 -2.436 2.547 7.915 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.848 -0.284 8.826 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.577 1.321 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.315 -0.608 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.553 0.137 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.343 -1.382 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.816 -0.602 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.841 -1.379 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.724 0.144 6.615 1.00 0.00 H new ATOM 277 N VAL A 19 0.497 0.242 9.412 1.00 0.00 N ATOM 278 CA VAL A 19 1.843 0.645 9.904 1.00 0.00 C ATOM 279 C VAL A 19 2.919 0.297 8.870 1.00 0.00 C ATOM 280 O VAL A 19 3.021 -0.830 8.428 1.00 0.00 O ATOM 281 CB VAL A 19 2.051 -0.166 11.182 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.454 0.098 11.733 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.010 0.247 12.224 1.00 0.00 C ATOM 0 H VAL A 19 0.218 -0.712 9.640 1.00 0.00 H new ATOM 0 HA VAL A 19 1.912 1.718 10.080 1.00 0.00 H new ATOM 0 HB VAL A 19 1.942 -1.227 10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.602 -0.481 12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.197 -0.196 10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.564 1.159 11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.158 -0.332 13.136 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.119 1.309 12.446 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.010 0.059 11.834 1.00 0.00 H new ATOM 293 N PHE A 20 3.732 1.248 8.486 1.00 0.00 N ATOM 294 CA PHE A 20 4.801 0.949 7.491 1.00 0.00 C ATOM 295 C PHE A 20 6.162 0.893 8.184 1.00 0.00 C ATOM 296 O PHE A 20 6.596 1.847 8.800 1.00 0.00 O ATOM 297 CB PHE A 20 4.780 2.100 6.481 1.00 0.00 C ATOM 298 CG PHE A 20 5.871 1.866 5.462 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.802 0.758 4.614 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.955 2.748 5.371 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.812 0.530 3.672 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.965 2.521 4.430 1.00 0.00 C ATOM 303 CZ PHE A 20 7.893 1.413 3.580 1.00 0.00 C ATOM 0 H PHE A 20 3.701 2.212 8.817 1.00 0.00 H new ATOM 0 HA PHE A 20 4.633 -0.013 7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.809 2.155 5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.934 3.052 6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.968 0.076 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.011 3.604 6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.757 -0.327 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.801 3.202 4.360 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.672 1.239 2.852 1.00 0.00 H new ATOM 313 N ASN A 21 6.842 -0.214 8.086 1.00 0.00 N ATOM 314 CA ASN A 21 8.171 -0.329 8.732 1.00 0.00 C ATOM 315 C ASN A 21 9.271 -0.124 7.689 1.00 0.00 C ATOM 316 O ASN A 21 9.614 -1.026 6.952 1.00 0.00 O ATOM 317 CB ASN A 21 8.200 -1.751 9.273 1.00 0.00 C ATOM 318 CG ASN A 21 8.278 -1.729 10.800 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.214 -2.244 11.380 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.328 -1.152 11.481 1.00 0.00 N ATOM 0 H ASN A 21 6.531 -1.045 7.584 1.00 0.00 H new ATOM 0 HA ASN A 21 8.334 0.413 9.514 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.307 -2.288 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.057 -2.287 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.370 -1.133 12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.542 -0.720 10.995 1.00 0.00 H new ATOM 327 N HIS A 22 9.828 1.055 7.617 1.00 0.00 N ATOM 328 CA HIS A 22 10.901 1.304 6.615 1.00 0.00 C ATOM 329 C HIS A 22 11.951 0.194 6.695 1.00 0.00 C ATOM 330 O HIS A 22 12.516 -0.211 5.699 1.00 0.00 O ATOM 331 CB HIS A 22 11.514 2.647 7.009 1.00 0.00 C ATOM 332 CG HIS A 22 10.712 3.773 6.410 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.894 4.584 7.183 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.617 4.260 5.127 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.357 5.511 6.372 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.765 5.362 5.109 1.00 0.00 N ATOM 0 H HIS A 22 9.587 1.852 8.206 1.00 0.00 H new ATOM 0 HA HIS A 22 10.520 1.318 5.594 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.536 2.742 8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.546 2.701 6.664 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.730 4.493 8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.125 3.851 4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.678 6.283 6.702 1.00 0.00 H new ATOM 344 N SER A 23 12.212 -0.308 7.872 1.00 0.00 N ATOM 345 CA SER A 23 13.220 -1.398 8.006 1.00 0.00 C ATOM 346 C SER A 23 12.920 -2.501 6.990 1.00 0.00 C ATOM 347 O SER A 23 13.806 -3.020 6.339 1.00 0.00 O ATOM 348 CB SER A 23 13.055 -1.919 9.432 1.00 0.00 C ATOM 349 OG SER A 23 14.088 -1.386 10.249 1.00 0.00 O ATOM 0 H SER A 23 11.772 -0.012 8.743 1.00 0.00 H new ATOM 0 HA SER A 23 14.237 -1.054 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.080 -1.632 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.094 -3.008 9.440 1.00 0.00 H new ATOM 0 HG SER A 23 13.770 -1.315 11.173 1.00 0.00 H new ATOM 355 N THR A 24 11.672 -2.855 6.842 1.00 0.00 N ATOM 356 CA THR A 24 11.309 -3.916 5.860 1.00 0.00 C ATOM 357 C THR A 24 11.420 -3.362 4.440 1.00 0.00 C ATOM 358 O THR A 24 11.275 -4.077 3.469 1.00 0.00 O ATOM 359 CB THR A 24 9.857 -4.278 6.184 1.00 0.00 C ATOM 360 OG1 THR A 24 9.476 -3.657 7.403 1.00 0.00 O ATOM 361 CG2 THR A 24 9.727 -5.796 6.320 1.00 0.00 C ATOM 0 H THR A 24 10.889 -2.455 7.359 1.00 0.00 H new ATOM 0 HA THR A 24 11.964 -4.785 5.921 1.00 0.00 H new ATOM 0 HB THR A 24 9.207 -3.930 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.155 -2.749 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.693 -6.053 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.019 -6.272 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.376 -6.146 7.123 1.00 0.00 H new ATOM 369 N HIS A 25 11.666 -2.087 4.315 1.00 0.00 N ATOM 370 CA HIS A 25 11.774 -1.476 2.971 1.00 0.00 C ATOM 371 C HIS A 25 13.140 -0.811 2.790 1.00 0.00 C ATOM 372 O HIS A 25 13.500 -0.397 1.706 1.00 0.00 O ATOM 373 CB HIS A 25 10.650 -0.452 2.955 1.00 0.00 C ATOM 374 CG HIS A 25 9.359 -1.170 3.216 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.885 -1.393 4.499 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.451 -1.756 2.373 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.740 -2.088 4.391 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.432 -2.337 3.117 1.00 0.00 N ATOM 0 H HIS A 25 11.797 -1.442 5.095 1.00 0.00 H new ATOM 0 HA HIS A 25 11.690 -2.200 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.821 0.312 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.614 0.058 1.992 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.325 -1.086 5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.518 -1.765 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.142 -2.406 5.232 1.00 0.00 H new ATOM 386 N LYS A 26 13.910 -0.719 3.838 1.00 0.00 N ATOM 387 CA LYS A 26 15.257 -0.095 3.713 1.00 0.00 C ATOM 388 C LYS A 26 15.992 -0.712 2.522 1.00 0.00 C ATOM 389 O LYS A 26 16.880 -0.115 1.947 1.00 0.00 O ATOM 390 CB LYS A 26 15.973 -0.431 5.022 1.00 0.00 C ATOM 391 CG LYS A 26 16.289 -1.927 5.062 1.00 0.00 C ATOM 392 CD LYS A 26 16.984 -2.269 6.381 1.00 0.00 C ATOM 393 CE LYS A 26 17.462 -3.723 6.343 1.00 0.00 C ATOM 394 NZ LYS A 26 18.878 -3.649 5.883 1.00 0.00 N ATOM 0 H LYS A 26 13.666 -1.047 4.772 1.00 0.00 H new ATOM 0 HA LYS A 26 15.211 0.981 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.893 0.148 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.347 -0.158 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.371 -2.506 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.929 -2.197 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.830 -1.601 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.298 -2.122 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.390 -4.189 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.856 -4.321 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.277 -4.608 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.915 -3.207 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.432 -3.080 6.554 1.00 0.00 H new ATOM 408 N ALA A 27 15.616 -1.905 2.145 1.00 0.00 N ATOM 409 CA ALA A 27 16.279 -2.569 0.987 1.00 0.00 C ATOM 410 C ALA A 27 15.528 -2.232 -0.303 1.00 0.00 C ATOM 411 O ALA A 27 15.944 -2.589 -1.388 1.00 0.00 O ATOM 412 CB ALA A 27 16.192 -4.066 1.285 1.00 0.00 C ATOM 0 H ALA A 27 14.877 -2.449 2.590 1.00 0.00 H new ATOM 0 HA ALA A 27 17.311 -2.243 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.660 -4.626 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.708 -4.281 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.146 -4.360 1.371 1.00 0.00 H new ATOM 418 N VAL A 28 14.428 -1.538 -0.193 1.00 0.00 N ATOM 419 CA VAL A 28 13.653 -1.164 -1.409 1.00 0.00 C ATOM 420 C VAL A 28 14.242 0.105 -2.008 1.00 0.00 C ATOM 421 O VAL A 28 15.148 0.698 -1.456 1.00 0.00 O ATOM 422 CB VAL A 28 12.227 -0.916 -0.918 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.391 -0.305 -2.042 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.600 -2.242 -0.485 1.00 0.00 C ATOM 0 H VAL A 28 14.032 -1.213 0.689 1.00 0.00 H new ATOM 0 HA VAL A 28 13.680 -1.935 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 28 12.253 -0.228 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.376 -0.130 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.835 0.641 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.366 -0.989 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.583 -2.066 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.579 -2.928 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.191 -2.678 0.320 1.00 0.00 H new ATOM 434 N LYS A 29 13.739 0.536 -3.124 1.00 0.00 N ATOM 435 CA LYS A 29 14.287 1.773 -3.729 1.00 0.00 C ATOM 436 C LYS A 29 13.539 2.984 -3.201 1.00 0.00 C ATOM 437 O LYS A 29 12.414 3.251 -3.572 1.00 0.00 O ATOM 438 CB LYS A 29 14.077 1.639 -5.225 1.00 0.00 C ATOM 439 CG LYS A 29 15.435 1.526 -5.913 1.00 0.00 C ATOM 440 CD LYS A 29 15.796 0.051 -6.095 1.00 0.00 C ATOM 441 CE LYS A 29 17.200 -0.062 -6.693 1.00 0.00 C ATOM 442 NZ LYS A 29 17.081 0.510 -8.063 1.00 0.00 N ATOM 0 H LYS A 29 12.980 0.091 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 29 15.341 1.905 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.471 0.759 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.533 2.503 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.406 2.026 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.198 2.027 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.755 -0.465 -5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.071 -0.434 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.928 0.488 -6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.533 -1.099 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.570 -0.109 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.077 0.583 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.513 1.456 -8.083 1.00 0.00 H new ATOM 456 N CYS A 30 14.162 3.719 -2.342 1.00 0.00 N ATOM 457 CA CYS A 30 13.500 4.932 -1.783 1.00 0.00 C ATOM 458 C CYS A 30 12.845 5.717 -2.920 1.00 0.00 C ATOM 459 O CYS A 30 11.905 6.460 -2.719 1.00 0.00 O ATOM 460 CB CYS A 30 14.621 5.754 -1.144 1.00 0.00 C ATOM 461 SG CYS A 30 15.012 5.082 0.490 1.00 0.00 S ATOM 0 H CYS A 30 15.104 3.539 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 30 12.725 4.687 -1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.507 5.734 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.316 6.797 -1.056 1.00 0.00 H new ATOM 466 N GLY A 31 13.340 5.551 -4.116 1.00 0.00 N ATOM 467 CA GLY A 31 12.757 6.281 -5.275 1.00 0.00 C ATOM 468 C GLY A 31 11.616 5.460 -5.878 1.00 0.00 C ATOM 469 O GLY A 31 10.832 5.955 -6.658 1.00 0.00 O ATOM 0 H GLY A 31 14.125 4.940 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.388 7.255 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.525 6.462 -6.027 1.00 0.00 H new ATOM 473 N ASP A 32 11.498 4.212 -5.518 1.00 0.00 N ATOM 474 CA ASP A 32 10.387 3.397 -6.073 1.00 0.00 C ATOM 475 C ASP A 32 9.112 3.736 -5.306 1.00 0.00 C ATOM 476 O ASP A 32 8.024 3.737 -5.847 1.00 0.00 O ATOM 477 CB ASP A 32 10.805 1.946 -5.852 1.00 0.00 C ATOM 478 CG ASP A 32 10.685 1.181 -7.169 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.725 1.418 -7.883 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.556 0.372 -7.442 1.00 0.00 O ATOM 0 H ASP A 32 12.118 3.727 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 32 10.194 3.583 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.830 1.903 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.174 1.485 -5.092 1.00 0.00 H new ATOM 485 N CYS A 33 9.252 4.069 -4.052 1.00 0.00 N ATOM 486 CA CYS A 33 8.069 4.462 -3.241 1.00 0.00 C ATOM 487 C CYS A 33 7.923 5.983 -3.331 1.00 0.00 C ATOM 488 O CYS A 33 6.930 6.498 -3.803 1.00 0.00 O ATOM 489 CB CYS A 33 8.398 4.029 -1.811 1.00 0.00 C ATOM 490 SG CYS A 33 8.011 2.274 -1.600 1.00 0.00 S ATOM 0 H CYS A 33 10.141 4.085 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 33 7.137 4.007 -3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.453 4.206 -1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.826 4.625 -1.100 1.00 0.00 H new ATOM 495 N HIS A 34 8.935 6.704 -2.916 1.00 0.00 N ATOM 496 CA HIS A 34 8.887 8.188 -3.019 1.00 0.00 C ATOM 497 C HIS A 34 9.422 8.593 -4.393 1.00 0.00 C ATOM 498 O HIS A 34 10.247 9.475 -4.509 1.00 0.00 O ATOM 499 CB HIS A 34 9.824 8.714 -1.930 1.00 0.00 C ATOM 500 CG HIS A 34 9.260 8.434 -0.562 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.090 9.023 -0.101 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.715 7.653 0.469 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.890 8.591 1.159 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.852 7.756 1.553 1.00 0.00 N ATOM 0 H HIS A 34 9.791 6.325 -2.511 1.00 0.00 H new ATOM 0 HA HIS A 34 7.878 8.582 -2.900 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.803 8.245 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.970 9.787 -2.056 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.492 9.665 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.610 7.049 0.442 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.053 8.885 1.775 1.00 0.00 H new ATOM 512 N HIS A 35 8.981 7.925 -5.427 1.00 0.00 N ATOM 513 CA HIS A 35 9.479 8.241 -6.797 1.00 0.00 C ATOM 514 C HIS A 35 9.754 9.738 -6.951 1.00 0.00 C ATOM 515 O HIS A 35 9.307 10.541 -6.157 1.00 0.00 O ATOM 516 CB HIS A 35 8.370 7.785 -7.743 1.00 0.00 C ATOM 517 CG HIS A 35 7.045 8.260 -7.236 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.572 9.505 -7.558 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.079 7.673 -6.450 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.371 9.648 -6.982 1.00 0.00 C ATOM 521 NE2 HIS A 35 5.015 8.558 -6.293 1.00 0.00 N ATOM 0 H HIS A 35 8.295 7.172 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 35 10.423 7.739 -7.010 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.549 8.178 -8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.371 6.698 -7.822 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.049 10.199 -8.133 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.137 6.683 -6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.763 10.537 -7.064 1.00 0.00 H new ATOM 529 N PRO A 36 10.503 10.055 -7.971 1.00 0.00 N ATOM 530 CA PRO A 36 10.885 11.464 -8.239 1.00 0.00 C ATOM 531 C PRO A 36 9.668 12.317 -8.599 1.00 0.00 C ATOM 532 O PRO A 36 9.075 12.172 -9.649 1.00 0.00 O ATOM 533 CB PRO A 36 11.854 11.354 -9.415 1.00 0.00 C ATOM 534 CG PRO A 36 11.500 10.063 -10.076 1.00 0.00 C ATOM 535 CD PRO A 36 11.054 9.139 -8.976 1.00 0.00 C ATOM 0 HA PRO A 36 11.326 11.952 -7.370 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.742 12.194 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.890 11.355 -9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.707 10.206 -10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.357 9.650 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.306 8.428 -9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.885 8.557 -8.578 1.00 0.00 H new ATOM 543 N VAL A 37 9.308 13.217 -7.726 1.00 0.00 N ATOM 544 CA VAL A 37 8.146 14.108 -7.993 1.00 0.00 C ATOM 545 C VAL A 37 8.601 15.563 -7.922 1.00 0.00 C ATOM 546 O VAL A 37 9.593 15.878 -7.298 1.00 0.00 O ATOM 547 CB VAL A 37 7.144 13.801 -6.880 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.035 14.856 -6.884 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.531 12.418 -7.113 1.00 0.00 C ATOM 0 H VAL A 37 9.774 13.374 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 37 7.709 13.949 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 37 7.656 13.816 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.321 14.636 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.470 15.842 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.523 14.842 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.816 12.198 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.020 12.404 -8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.319 11.665 -7.110 1.00 0.00 H new ATOM 559 N ASN A 38 7.886 16.454 -8.541 1.00 0.00 N ATOM 560 CA ASN A 38 8.291 17.884 -8.487 1.00 0.00 C ATOM 561 C ASN A 38 9.784 18.035 -8.797 1.00 0.00 C ATOM 562 O ASN A 38 10.404 19.013 -8.432 1.00 0.00 O ATOM 563 CB ASN A 38 8.022 18.276 -7.043 1.00 0.00 C ATOM 564 CG ASN A 38 7.967 19.801 -6.920 1.00 0.00 C ATOM 565 OD1 ASN A 38 6.909 20.369 -6.736 1.00 0.00 O ATOM 566 ND2 ASN A 38 9.072 20.490 -7.012 1.00 0.00 N ATOM 0 H ASN A 38 7.043 16.257 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 38 7.757 18.500 -9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.080 17.841 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.805 17.878 -6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.048 21.506 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.960 20.012 -7.166 1.00 0.00 H new ATOM 573 N GLY A 39 10.375 17.071 -9.450 1.00 0.00 N ATOM 574 CA GLY A 39 11.825 17.168 -9.756 1.00 0.00 C ATOM 575 C GLY A 39 12.609 16.459 -8.653 1.00 0.00 C ATOM 576 O GLY A 39 13.797 16.231 -8.770 1.00 0.00 O ATOM 0 H GLY A 39 9.915 16.224 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.038 16.712 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.128 18.213 -9.822 1.00 0.00 H new ATOM 580 N LYS A 40 11.953 16.104 -7.577 1.00 0.00 N ATOM 581 CA LYS A 40 12.672 15.406 -6.470 1.00 0.00 C ATOM 582 C LYS A 40 11.764 14.362 -5.812 1.00 0.00 C ATOM 583 O LYS A 40 10.577 14.571 -5.655 1.00 0.00 O ATOM 584 CB LYS A 40 13.032 16.508 -5.473 1.00 0.00 C ATOM 585 CG LYS A 40 11.754 17.192 -4.982 1.00 0.00 C ATOM 586 CD LYS A 40 12.080 18.615 -4.524 1.00 0.00 C ATOM 587 CE LYS A 40 11.111 19.029 -3.415 1.00 0.00 C ATOM 588 NZ LYS A 40 11.861 20.026 -2.602 1.00 0.00 N ATOM 0 H LYS A 40 10.959 16.266 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 40 13.553 14.873 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.578 16.085 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.690 17.238 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.012 17.217 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.318 16.625 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.107 18.666 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.004 19.305 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.200 19.462 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.812 18.172 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.261 20.358 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.720 19.584 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.126 20.834 -3.201 1.00 0.00 H new ATOM 602 N GLU A 41 12.311 13.240 -5.425 1.00 0.00 N ATOM 603 CA GLU A 41 11.471 12.190 -4.778 1.00 0.00 C ATOM 604 C GLU A 41 10.870 12.722 -3.480 1.00 0.00 C ATOM 605 O GLU A 41 11.568 12.955 -2.514 1.00 0.00 O ATOM 606 CB GLU A 41 12.419 11.032 -4.466 1.00 0.00 C ATOM 607 CG GLU A 41 12.721 10.251 -5.746 1.00 0.00 C ATOM 608 CD GLU A 41 14.103 9.604 -5.634 1.00 0.00 C ATOM 609 OE1 GLU A 41 15.082 10.323 -5.745 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.159 8.401 -5.437 1.00 0.00 O ATOM 0 H GLU A 41 13.298 13.006 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 41 10.649 11.883 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.345 11.414 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.970 10.372 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.961 9.486 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.688 10.918 -6.608 1.00 0.00 H new ATOM 617 N ASP A 42 9.581 12.902 -3.437 1.00 0.00 N ATOM 618 CA ASP A 42 8.960 13.401 -2.184 1.00 0.00 C ATOM 619 C ASP A 42 9.167 12.374 -1.076 1.00 0.00 C ATOM 620 O ASP A 42 8.465 11.388 -0.987 1.00 0.00 O ATOM 621 CB ASP A 42 7.478 13.556 -2.492 1.00 0.00 C ATOM 622 CG ASP A 42 7.297 14.471 -3.705 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.269 15.087 -4.107 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.189 14.537 -4.211 1.00 0.00 O ATOM 0 H ASP A 42 8.937 12.727 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 42 9.396 14.343 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.034 12.581 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.959 13.973 -1.629 1.00 0.00 H new ATOM 629 N TYR A 43 10.130 12.598 -0.237 1.00 0.00 N ATOM 630 CA TYR A 43 10.393 11.632 0.866 1.00 0.00 C ATOM 631 C TYR A 43 9.438 11.901 2.031 1.00 0.00 C ATOM 632 O TYR A 43 9.841 11.973 3.175 1.00 0.00 O ATOM 633 CB TYR A 43 11.840 11.890 1.289 1.00 0.00 C ATOM 634 CG TYR A 43 12.763 11.640 0.121 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.970 10.335 -0.348 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.417 12.715 -0.494 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.829 10.107 -1.429 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.276 12.486 -1.576 1.00 0.00 C ATOM 639 CZ TYR A 43 14.482 11.183 -2.043 1.00 0.00 C ATOM 640 OH TYR A 43 15.328 10.959 -3.110 1.00 0.00 O ATOM 0 H TYR A 43 10.750 13.408 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 43 10.242 10.598 0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.949 12.917 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.107 11.240 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.466 9.505 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.259 13.721 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.988 9.102 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.780 13.315 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 43 15.698 11.812 -3.419 1.00 0.00 H new ATOM 650 N GLN A 44 8.173 12.057 1.747 1.00 0.00 N ATOM 651 CA GLN A 44 7.192 12.328 2.839 1.00 0.00 C ATOM 652 C GLN A 44 6.057 11.305 2.800 1.00 0.00 C ATOM 653 O GLN A 44 5.954 10.511 1.887 1.00 0.00 O ATOM 654 CB GLN A 44 6.660 13.734 2.559 1.00 0.00 C ATOM 655 CG GLN A 44 6.323 13.869 1.073 1.00 0.00 C ATOM 656 CD GLN A 44 5.636 15.214 0.828 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.828 15.342 -0.070 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.925 16.230 1.595 1.00 0.00 N ATOM 0 H GLN A 44 7.776 12.009 0.808 1.00 0.00 H new ATOM 0 HA GLN A 44 7.647 12.256 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.772 13.925 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.404 14.478 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.231 13.798 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.671 13.053 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.603 16.123 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.472 17.131 1.440 1.00 0.00 H new ATOM 667 N LYS A 45 5.207 11.315 3.788 1.00 0.00 N ATOM 668 CA LYS A 45 4.084 10.336 3.818 1.00 0.00 C ATOM 669 C LYS A 45 3.494 10.151 2.422 1.00 0.00 C ATOM 670 O LYS A 45 3.326 11.093 1.673 1.00 0.00 O ATOM 671 CB LYS A 45 3.039 10.931 4.760 1.00 0.00 C ATOM 672 CG LYS A 45 2.987 12.454 4.597 1.00 0.00 C ATOM 673 CD LYS A 45 1.832 13.015 5.429 1.00 0.00 C ATOM 674 CE LYS A 45 1.955 12.523 6.873 1.00 0.00 C ATOM 675 NZ LYS A 45 1.485 13.663 7.709 1.00 0.00 N ATOM 0 H LYS A 45 5.241 11.960 4.578 1.00 0.00 H new ATOM 0 HA LYS A 45 4.420 9.355 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.060 10.501 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.281 10.676 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.930 12.897 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.853 12.714 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.847 14.105 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.878 12.699 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.347 11.634 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.984 12.255 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.540 13.402 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.086 14.493 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.500 13.891 7.464 1.00 0.00 H new ATOM 689 N CYS A 46 3.176 8.937 2.071 1.00 0.00 N ATOM 690 CA CYS A 46 2.592 8.674 0.729 1.00 0.00 C ATOM 691 C CYS A 46 1.319 9.497 0.531 1.00 0.00 C ATOM 692 O CYS A 46 1.074 10.042 -0.527 1.00 0.00 O ATOM 693 CB CYS A 46 2.263 7.183 0.736 1.00 0.00 C ATOM 694 SG CYS A 46 3.775 6.230 1.020 1.00 0.00 S ATOM 0 H CYS A 46 3.296 8.112 2.659 1.00 0.00 H new ATOM 0 HA CYS A 46 3.272 8.945 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.532 6.965 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.812 6.895 -0.214 1.00 0.00 H new ATOM 699 N ALA A 47 0.506 9.580 1.543 1.00 0.00 N ATOM 700 CA ALA A 47 -0.762 10.356 1.425 1.00 0.00 C ATOM 701 C ALA A 47 -0.637 11.702 2.138 1.00 0.00 C ATOM 702 O ALA A 47 -1.420 12.033 3.005 1.00 0.00 O ATOM 703 CB ALA A 47 -1.813 9.493 2.108 1.00 0.00 C ATOM 0 H ALA A 47 0.663 9.143 2.451 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.014 10.572 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.780 9.995 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.880 8.531 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.533 9.334 3.149 1.00 0.00 H new ATOM 709 N THR A 48 0.342 12.472 1.775 1.00 0.00 N ATOM 710 CA THR A 48 0.536 13.801 2.416 1.00 0.00 C ATOM 711 C THR A 48 -0.783 14.579 2.447 1.00 0.00 C ATOM 712 O THR A 48 -1.838 14.055 2.147 1.00 0.00 O ATOM 713 CB THR A 48 1.560 14.517 1.533 1.00 0.00 C ATOM 714 OG1 THR A 48 2.313 13.554 0.809 1.00 0.00 O ATOM 715 CG2 THR A 48 2.498 15.349 2.407 1.00 0.00 C ATOM 0 H THR A 48 1.025 12.238 1.054 1.00 0.00 H new ATOM 0 HA THR A 48 0.873 13.714 3.449 1.00 0.00 H new ATOM 0 HB THR A 48 1.042 15.174 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.643 12.866 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.227 15.858 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.919 16.087 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.018 14.695 3.107 1.00 0.00 H new ATOM 723 N ALA A 49 -0.727 15.827 2.811 1.00 0.00 N ATOM 724 CA ALA A 49 -1.972 16.650 2.873 1.00 0.00 C ATOM 725 C ALA A 49 -2.483 16.960 1.462 1.00 0.00 C ATOM 726 O ALA A 49 -3.654 17.211 1.258 1.00 0.00 O ATOM 727 CB ALA A 49 -1.559 17.937 3.585 1.00 0.00 C ATOM 0 H ALA A 49 0.129 16.318 3.070 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.779 16.133 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.421 18.598 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.185 17.698 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.776 18.434 3.013 1.00 0.00 H new ATOM 733 N GLY A 50 -1.617 16.941 0.488 1.00 0.00 N ATOM 734 CA GLY A 50 -2.057 17.232 -0.907 1.00 0.00 C ATOM 735 C GLY A 50 -1.460 16.184 -1.843 1.00 0.00 C ATOM 736 O GLY A 50 -1.036 16.481 -2.943 1.00 0.00 O ATOM 0 H GLY A 50 -0.624 16.737 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.145 17.217 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.734 18.230 -1.204 1.00 0.00 H new ATOM 740 N CYS A 51 -1.415 14.960 -1.403 1.00 0.00 N ATOM 741 CA CYS A 51 -0.836 13.879 -2.243 1.00 0.00 C ATOM 742 C CYS A 51 -1.809 12.693 -2.306 1.00 0.00 C ATOM 743 O CYS A 51 -2.937 12.838 -2.734 1.00 0.00 O ATOM 744 CB CYS A 51 0.467 13.524 -1.524 1.00 0.00 C ATOM 745 SG CYS A 51 1.787 13.310 -2.740 1.00 0.00 S ATOM 0 H CYS A 51 -1.757 14.660 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.657 14.168 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.732 14.312 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.338 12.609 -0.946 1.00 0.00 H new ATOM 750 N HIS A 52 -1.403 11.527 -1.879 1.00 0.00 N ATOM 751 CA HIS A 52 -2.337 10.364 -1.918 1.00 0.00 C ATOM 752 C HIS A 52 -3.310 10.465 -0.743 1.00 0.00 C ATOM 753 O HIS A 52 -3.432 9.558 0.056 1.00 0.00 O ATOM 754 CB HIS A 52 -1.455 9.123 -1.757 1.00 0.00 C ATOM 755 CG HIS A 52 -0.626 8.912 -2.985 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.203 8.728 -4.216 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.731 8.837 -3.184 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.213 8.552 -5.111 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.989 8.611 -4.531 1.00 0.00 N ATOM 0 H HIS A 52 -0.474 11.330 -1.508 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.917 10.328 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.807 9.239 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.078 8.247 -1.575 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.203 8.725 -4.417 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.481 8.938 -2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.371 8.384 -6.166 1.00 0.00 H new ATOM 767 N ASP A 53 -3.990 11.573 -0.621 1.00 0.00 N ATOM 768 CA ASP A 53 -4.938 11.740 0.515 1.00 0.00 C ATOM 769 C ASP A 53 -6.392 11.680 0.038 1.00 0.00 C ATOM 770 O ASP A 53 -7.280 12.201 0.683 1.00 0.00 O ATOM 771 CB ASP A 53 -4.623 13.123 1.088 1.00 0.00 C ATOM 772 CG ASP A 53 -4.848 14.186 0.010 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.102 14.190 -0.955 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.763 14.977 0.168 1.00 0.00 O ATOM 0 H ASP A 53 -3.930 12.367 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.825 10.946 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.258 13.324 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.591 13.157 1.438 1.00 0.00 H new ATOM 779 N ASN A 54 -6.658 11.041 -1.072 1.00 0.00 N ATOM 780 CA ASN A 54 -8.069 10.959 -1.538 1.00 0.00 C ATOM 781 C ASN A 54 -8.791 9.867 -0.750 1.00 0.00 C ATOM 782 O ASN A 54 -8.588 8.690 -0.969 1.00 0.00 O ATOM 783 CB ASN A 54 -7.990 10.599 -3.022 1.00 0.00 C ATOM 784 CG ASN A 54 -9.070 11.364 -3.789 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.135 12.575 -3.727 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.926 10.700 -4.516 1.00 0.00 N ATOM 0 H ASN A 54 -5.969 10.580 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.617 11.890 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.004 10.847 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.125 9.526 -3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.651 11.198 -5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.871 9.683 -4.567 1.00 0.00 H new ATOM 793 N MET A 55 -9.620 10.249 0.183 1.00 0.00 N ATOM 794 CA MET A 55 -10.339 9.234 1.000 1.00 0.00 C ATOM 795 C MET A 55 -11.530 8.665 0.226 1.00 0.00 C ATOM 796 O MET A 55 -12.416 8.059 0.794 1.00 0.00 O ATOM 797 CB MET A 55 -10.817 9.996 2.236 1.00 0.00 C ATOM 798 CG MET A 55 -9.638 10.739 2.866 1.00 0.00 C ATOM 799 SD MET A 55 -8.429 9.540 3.480 1.00 0.00 S ATOM 800 CE MET A 55 -7.044 10.689 3.667 1.00 0.00 C ATOM 0 H MET A 55 -9.830 11.220 0.414 1.00 0.00 H new ATOM 0 HA MET A 55 -9.703 8.387 1.258 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.600 10.702 1.960 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.252 9.304 2.957 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.174 11.396 2.131 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.987 11.371 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.209 10.355 3.052 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.352 11.685 3.350 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.735 10.720 4.712 1.00 0.00 H new ATOM 810 N ASP A 56 -11.556 8.845 -1.066 1.00 0.00 N ATOM 811 CA ASP A 56 -12.686 8.299 -1.865 1.00 0.00 C ATOM 812 C ASP A 56 -12.466 6.804 -2.097 1.00 0.00 C ATOM 813 O ASP A 56 -13.377 6.075 -2.436 1.00 0.00 O ATOM 814 CB ASP A 56 -12.645 9.062 -3.190 1.00 0.00 C ATOM 815 CG ASP A 56 -14.066 9.457 -3.596 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.973 8.687 -3.326 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.223 10.521 -4.171 1.00 0.00 O ATOM 0 H ASP A 56 -10.846 9.345 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.649 8.415 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.023 9.952 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.193 8.443 -3.965 1.00 0.00 H new ATOM 822 N LYS A 57 -11.259 6.342 -1.909 1.00 0.00 N ATOM 823 CA LYS A 57 -10.973 4.895 -2.110 1.00 0.00 C ATOM 824 C LYS A 57 -11.379 4.470 -3.523 1.00 0.00 C ATOM 825 O LYS A 57 -11.527 3.298 -3.812 1.00 0.00 O ATOM 826 CB LYS A 57 -11.825 4.178 -1.062 1.00 0.00 C ATOM 827 CG LYS A 57 -11.527 4.759 0.321 1.00 0.00 C ATOM 828 CD LYS A 57 -12.640 4.365 1.292 1.00 0.00 C ATOM 829 CE LYS A 57 -13.986 4.855 0.752 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.631 5.549 1.900 1.00 0.00 N ATOM 0 H LYS A 57 -10.458 6.906 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.914 4.660 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.883 4.294 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.611 3.109 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.567 4.390 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.449 5.845 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.660 3.283 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.451 4.798 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.850 5.531 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.596 4.024 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.560 5.914 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.754 4.879 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.031 6.340 2.209 1.00 0.00 H new ATOM 844 N LYS A 58 -11.565 5.415 -4.404 1.00 0.00 N ATOM 845 CA LYS A 58 -11.965 5.068 -5.798 1.00 0.00 C ATOM 846 C LYS A 58 -11.078 5.802 -6.810 1.00 0.00 C ATOM 847 O LYS A 58 -10.942 5.386 -7.944 1.00 0.00 O ATOM 848 CB LYS A 58 -13.416 5.536 -5.922 1.00 0.00 C ATOM 849 CG LYS A 58 -14.267 4.857 -4.846 1.00 0.00 C ATOM 850 CD LYS A 58 -15.156 3.794 -5.494 1.00 0.00 C ATOM 851 CE LYS A 58 -16.202 4.474 -6.379 1.00 0.00 C ATOM 852 NZ LYS A 58 -17.055 3.363 -6.887 1.00 0.00 N ATOM 0 H LYS A 58 -11.457 6.412 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.858 4.002 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.470 6.619 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.803 5.295 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.624 4.400 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.882 5.597 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.550 3.111 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.647 3.197 -4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.790 5.196 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.733 5.018 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.798 3.750 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.469 2.695 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.494 2.868 -6.085 1.00 0.00 H new ATOM 866 N ASP A 59 -10.475 6.891 -6.414 1.00 0.00 N ATOM 867 CA ASP A 59 -9.603 7.644 -7.361 1.00 0.00 C ATOM 868 C ASP A 59 -8.520 6.724 -7.932 1.00 0.00 C ATOM 869 O ASP A 59 -7.576 6.365 -7.257 1.00 0.00 O ATOM 870 CB ASP A 59 -8.974 8.759 -6.522 1.00 0.00 C ATOM 871 CG ASP A 59 -7.733 9.300 -7.236 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.762 8.568 -7.331 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.774 10.438 -7.674 1.00 0.00 O ATOM 0 H ASP A 59 -10.548 7.291 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.162 8.039 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.695 9.561 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.703 8.378 -5.537 1.00 0.00 H new ATOM 878 N LYS A 60 -8.649 6.342 -9.173 1.00 0.00 N ATOM 879 CA LYS A 60 -7.626 5.449 -9.790 1.00 0.00 C ATOM 880 C LYS A 60 -6.511 6.285 -10.422 1.00 0.00 C ATOM 881 O LYS A 60 -5.814 5.837 -11.312 1.00 0.00 O ATOM 882 CB LYS A 60 -8.382 4.664 -10.863 1.00 0.00 C ATOM 883 CG LYS A 60 -8.502 3.199 -10.435 1.00 0.00 C ATOM 884 CD LYS A 60 -7.278 2.423 -10.923 1.00 0.00 C ATOM 885 CE LYS A 60 -7.401 2.168 -12.427 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.009 1.899 -12.886 1.00 0.00 N ATOM 0 H LYS A 60 -9.418 6.609 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.156 4.791 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.373 5.093 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.858 4.734 -11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.580 3.131 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.411 2.762 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.369 2.987 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.197 1.477 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.055 1.320 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.826 3.030 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.011 1.714 -13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.411 2.726 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.633 1.069 -12.385 1.00 0.00 H new ATOM 900 N SER A 61 -6.337 7.496 -9.969 1.00 0.00 N ATOM 901 CA SER A 61 -5.267 8.361 -10.544 1.00 0.00 C ATOM 902 C SER A 61 -4.019 8.319 -9.658 1.00 0.00 C ATOM 903 O SER A 61 -3.881 7.468 -8.802 1.00 0.00 O ATOM 904 CB SER A 61 -5.864 9.768 -10.562 1.00 0.00 C ATOM 905 OG SER A 61 -5.674 10.341 -11.849 1.00 0.00 O ATOM 0 H SER A 61 -6.889 7.924 -9.226 1.00 0.00 H new ATOM 0 HA SER A 61 -4.961 8.034 -11.538 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.927 9.728 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.389 10.387 -9.801 1.00 0.00 H new ATOM 0 HG SER A 61 -6.057 11.243 -11.865 1.00 0.00 H new ATOM 911 N ALA A 62 -3.108 9.232 -9.858 1.00 0.00 N ATOM 912 CA ALA A 62 -1.868 9.246 -9.029 1.00 0.00 C ATOM 913 C ALA A 62 -2.080 10.090 -7.767 1.00 0.00 C ATOM 914 O ALA A 62 -1.138 10.562 -7.162 1.00 0.00 O ATOM 915 CB ALA A 62 -0.806 9.884 -9.925 1.00 0.00 C ATOM 0 H ALA A 62 -3.168 9.970 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.582 8.248 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.141 9.932 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.682 9.284 -10.826 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.119 10.891 -10.200 1.00 0.00 H new ATOM 921 N LYS A 63 -3.309 10.291 -7.369 1.00 0.00 N ATOM 922 CA LYS A 63 -3.572 11.113 -6.153 1.00 0.00 C ATOM 923 C LYS A 63 -4.463 10.356 -5.167 1.00 0.00 C ATOM 924 O LYS A 63 -4.583 10.726 -4.016 1.00 0.00 O ATOM 925 CB LYS A 63 -4.305 12.349 -6.668 1.00 0.00 C ATOM 926 CG LYS A 63 -3.761 13.598 -5.972 1.00 0.00 C ATOM 927 CD LYS A 63 -3.606 14.726 -6.994 1.00 0.00 C ATOM 928 CE LYS A 63 -4.801 15.677 -6.890 1.00 0.00 C ATOM 929 NZ LYS A 63 -4.457 16.826 -7.775 1.00 0.00 N ATOM 0 H LYS A 63 -4.139 9.922 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.651 11.359 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.176 12.437 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.375 12.254 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.437 13.906 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.799 13.379 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.678 15.269 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.543 14.313 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.721 15.191 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.957 16.004 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.230 17.522 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.580 17.273 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.321 16.486 -8.748 1.00 0.00 H new ATOM 943 N GLY A 64 -5.103 9.310 -5.608 1.00 0.00 N ATOM 944 CA GLY A 64 -5.996 8.552 -4.691 1.00 0.00 C ATOM 945 C GLY A 64 -5.175 7.589 -3.839 1.00 0.00 C ATOM 946 O GLY A 64 -4.467 6.741 -4.343 1.00 0.00 O ATOM 0 H GLY A 64 -5.047 8.949 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.542 9.243 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.737 7.999 -5.267 1.00 0.00 H new ATOM 950 N TYR A 65 -5.275 7.711 -2.545 1.00 0.00 N ATOM 951 CA TYR A 65 -4.513 6.799 -1.650 1.00 0.00 C ATOM 952 C TYR A 65 -4.742 5.349 -2.082 1.00 0.00 C ATOM 953 O TYR A 65 -3.830 4.649 -2.476 1.00 0.00 O ATOM 954 CB TYR A 65 -5.107 7.046 -0.260 1.00 0.00 C ATOM 955 CG TYR A 65 -4.103 6.684 0.810 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.743 6.547 0.497 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.539 6.482 2.125 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.825 6.211 1.499 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.621 6.145 3.124 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.265 6.010 2.811 1.00 0.00 C ATOM 961 OH TYR A 65 -1.361 5.673 3.795 1.00 0.00 O ATOM 0 H TYR A 65 -5.852 8.404 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.438 6.977 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.394 8.093 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.013 6.454 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.404 6.701 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.586 6.587 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.777 6.107 1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.959 5.989 4.138 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.460 6.285 4.554 1.00 0.00 H new ATOM 971 N TYR A 66 -5.964 4.901 -2.010 1.00 0.00 N ATOM 972 CA TYR A 66 -6.293 3.506 -2.408 1.00 0.00 C ATOM 973 C TYR A 66 -5.541 3.091 -3.674 1.00 0.00 C ATOM 974 O TYR A 66 -4.728 2.189 -3.659 1.00 0.00 O ATOM 975 CB TYR A 66 -7.791 3.548 -2.691 1.00 0.00 C ATOM 976 CG TYR A 66 -8.430 2.258 -2.255 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.300 1.109 -3.042 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.160 2.215 -1.066 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.904 -0.087 -2.638 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.763 1.021 -0.659 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.636 -0.131 -1.445 1.00 0.00 C ATOM 982 OH TYR A 66 -10.232 -1.309 -1.045 1.00 0.00 O ATOM 0 H TYR A 66 -6.760 5.451 -1.687 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.014 2.788 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.246 4.386 -2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.965 3.709 -3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.734 1.145 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.259 3.104 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.806 -0.975 -3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.327 0.987 0.262 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.170 -1.140 -0.818 1.00 0.00 H new ATOM 992 N HIS A 67 -5.833 3.723 -4.774 1.00 0.00 N ATOM 993 CA HIS A 67 -5.168 3.351 -6.052 1.00 0.00 C ATOM 994 C HIS A 67 -3.687 3.023 -5.840 1.00 0.00 C ATOM 995 O HIS A 67 -3.295 1.876 -5.780 1.00 0.00 O ATOM 996 CB HIS A 67 -5.308 4.576 -6.951 1.00 0.00 C ATOM 997 CG HIS A 67 -4.410 4.398 -8.140 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.656 3.436 -9.102 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.239 5.010 -8.509 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.653 3.488 -9.992 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -2.762 4.433 -9.681 1.00 0.00 N ATOM 0 H HIS A 67 -6.507 4.485 -4.844 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.623 2.460 -6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.343 4.694 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.039 5.480 -6.405 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.455 2.802 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.761 5.816 -7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.576 2.844 -10.855 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.862 4.027 -5.756 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.399 3.786 -5.581 1.00 0.00 C ATOM 1011 C ALA A 68 -1.132 2.724 -4.507 1.00 0.00 C ATOM 1012 O ALA A 68 -0.087 2.107 -4.485 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.828 5.133 -5.139 1.00 0.00 C ATOM 0 H ALA A 68 -3.136 5.008 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.944 3.417 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.248 5.040 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.024 5.881 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.300 5.440 -4.206 1.00 0.00 H new ATOM 1019 N MET A 69 -2.045 2.525 -3.598 1.00 0.00 N ATOM 1020 CA MET A 69 -1.806 1.523 -2.519 1.00 0.00 C ATOM 1021 C MET A 69 -2.310 0.128 -2.901 1.00 0.00 C ATOM 1022 O MET A 69 -1.733 -0.867 -2.508 1.00 0.00 O ATOM 1023 CB MET A 69 -2.580 2.063 -1.325 1.00 0.00 C ATOM 1024 CG MET A 69 -1.982 3.405 -0.906 1.00 0.00 C ATOM 1025 SD MET A 69 -1.077 3.212 0.649 1.00 0.00 S ATOM 1026 CE MET A 69 0.457 4.007 0.109 1.00 0.00 C ATOM 0 H MET A 69 -2.942 3.009 -3.554 1.00 0.00 H new ATOM 0 HA MET A 69 -0.742 1.400 -2.318 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.632 2.184 -1.583 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.534 1.356 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.313 3.774 -1.683 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.773 4.145 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.238 3.831 0.849 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.765 3.590 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.293 5.079 0.002 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.378 0.029 -3.640 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.887 -1.324 -3.998 1.00 0.00 C ATOM 1038 C HIS A 70 -3.671 -1.620 -5.486 1.00 0.00 C ATOM 1039 O HIS A 70 -3.840 -2.738 -5.932 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.377 -1.281 -3.664 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.551 -0.869 -2.228 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.789 0.446 -1.859 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.523 -1.587 -1.059 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.892 0.479 -0.517 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.739 -0.734 0.020 1.00 0.00 N ATOM 0 H HIS A 70 -3.915 0.814 -4.008 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.365 -2.112 -3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.889 -0.578 -4.321 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.828 -2.259 -3.831 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.871 1.244 -2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.358 -2.652 -0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.076 1.376 0.055 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.302 -0.637 -6.261 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.083 -0.885 -7.715 1.00 0.00 C ATOM 1055 C ASP A 71 -1.681 -1.449 -7.965 1.00 0.00 C ATOM 1056 O ASP A 71 -0.809 -1.366 -7.124 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.245 0.482 -8.373 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.734 0.822 -8.447 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.393 0.734 -7.426 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.191 1.156 -9.528 1.00 0.00 O ATOM 0 H ASP A 71 -3.143 0.322 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.782 -1.618 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.713 1.242 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.810 0.473 -9.372 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.464 -2.026 -9.116 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.123 -2.600 -9.426 1.00 0.00 C ATOM 1067 C LYS A 72 0.512 -1.852 -10.598 1.00 0.00 C ATOM 1068 O LYS A 72 1.571 -1.269 -10.477 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.393 -4.058 -9.802 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.306 -4.695 -8.752 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.614 -5.134 -9.412 1.00 0.00 C ATOM 1072 CE LYS A 72 -3.544 -5.733 -8.353 1.00 0.00 C ATOM 1073 NZ LYS A 72 -4.854 -5.057 -8.567 1.00 0.00 N ATOM 0 H LYS A 72 -2.159 -2.125 -9.856 1.00 0.00 H new ATOM 0 HA LYS A 72 0.566 -2.518 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.860 -4.111 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.546 -4.608 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.811 -5.552 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.511 -3.983 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.095 -4.282 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.412 -5.869 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.633 -6.813 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.166 -5.552 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.546 -5.415 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.740 -4.031 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.192 -5.253 -9.531 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.132 -1.859 -11.730 1.00 0.00 N ATOM 1088 CA GLY A 73 0.425 -1.143 -12.914 1.00 0.00 C ATOM 1089 C GLY A 73 0.403 0.362 -12.643 1.00 0.00 C ATOM 1090 O GLY A 73 -0.229 1.123 -13.347 1.00 0.00 O ATOM 0 H GLY A 73 -1.023 -2.330 -11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.445 -1.475 -13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.161 -1.374 -13.803 1.00 0.00 H new ATOM 1094 N THR A 74 1.083 0.792 -11.617 1.00 0.00 N ATOM 1095 CA THR A 74 1.101 2.243 -11.279 1.00 0.00 C ATOM 1096 C THR A 74 2.425 2.881 -11.706 1.00 0.00 C ATOM 1097 O THR A 74 3.407 2.202 -11.932 1.00 0.00 O ATOM 1098 CB THR A 74 0.972 2.279 -9.756 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.703 1.196 -9.199 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.498 2.161 -9.356 1.00 0.00 C ATOM 0 H THR A 74 1.630 0.197 -10.995 1.00 0.00 H new ATOM 0 HA THR A 74 0.308 2.793 -11.785 1.00 0.00 H new ATOM 0 HB THR A 74 1.369 3.223 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.583 1.512 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.583 2.187 -8.270 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.059 2.992 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.902 1.220 -9.729 1.00 0.00 H new ATOM 1108 N LYS A 75 2.461 4.185 -11.803 1.00 0.00 N ATOM 1109 CA LYS A 75 3.727 4.870 -12.197 1.00 0.00 C ATOM 1110 C LYS A 75 4.914 4.166 -11.534 1.00 0.00 C ATOM 1111 O LYS A 75 5.997 4.094 -12.083 1.00 0.00 O ATOM 1112 CB LYS A 75 3.584 6.297 -11.659 1.00 0.00 C ATOM 1113 CG LYS A 75 4.346 7.266 -12.565 1.00 0.00 C ATOM 1114 CD LYS A 75 3.859 7.109 -14.006 1.00 0.00 C ATOM 1115 CE LYS A 75 5.012 6.622 -14.886 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.400 5.617 -15.800 1.00 0.00 N ATOM 0 H LYS A 75 1.669 4.804 -11.627 1.00 0.00 H new ATOM 0 HA LYS A 75 3.898 4.857 -13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.531 6.576 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.971 6.353 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.193 8.291 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.416 7.068 -12.508 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.032 6.400 -14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.480 8.061 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.457 7.445 -15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.806 6.178 -14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.936 5.586 -16.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.422 4.680 -15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.414 5.883 -15.998 1.00 0.00 H new ATOM 1130 N PHE A 76 4.708 3.639 -10.360 1.00 0.00 N ATOM 1131 CA PHE A 76 5.808 2.922 -9.646 1.00 0.00 C ATOM 1132 C PHE A 76 5.258 1.692 -8.938 1.00 0.00 C ATOM 1133 O PHE A 76 4.065 1.464 -8.921 1.00 0.00 O ATOM 1134 CB PHE A 76 6.325 3.912 -8.609 1.00 0.00 C ATOM 1135 CG PHE A 76 6.723 5.187 -9.300 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.939 5.266 -9.987 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.864 6.289 -9.262 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.292 6.453 -10.638 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.218 7.473 -9.909 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.431 7.555 -10.598 1.00 0.00 C ATOM 0 H PHE A 76 3.820 3.673 -9.859 1.00 0.00 H new ATOM 0 HA PHE A 76 6.587 2.592 -10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.555 4.113 -7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.179 3.490 -8.079 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.603 4.414 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.926 6.224 -8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.229 6.519 -11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.555 8.325 -9.877 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.704 8.471 -11.101 1.00 0.00 H new ATOM 1150 N LYS A 77 6.101 0.905 -8.327 1.00 0.00 N ATOM 1151 CA LYS A 77 5.569 -0.274 -7.609 1.00 0.00 C ATOM 1152 C LYS A 77 4.835 0.214 -6.366 1.00 0.00 C ATOM 1153 O LYS A 77 5.403 0.815 -5.475 1.00 0.00 O ATOM 1154 CB LYS A 77 6.765 -1.138 -7.248 1.00 0.00 C ATOM 1155 CG LYS A 77 7.718 -0.359 -6.349 1.00 0.00 C ATOM 1156 CD LYS A 77 9.120 -0.963 -6.455 1.00 0.00 C ATOM 1157 CE LYS A 77 9.045 -2.486 -6.315 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.796 -3.014 -7.487 1.00 0.00 N ATOM 0 H LYS A 77 7.113 1.027 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 77 4.867 -0.853 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.431 -2.043 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.283 -1.454 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.738 0.690 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.372 -0.393 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.567 -0.699 -7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.763 -0.549 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.490 -2.819 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.012 -2.833 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.790 -4.054 -7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.345 -2.685 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.778 -2.672 -7.453 1.00 0.00 H new ATOM 1172 N SER A 78 3.567 -0.011 -6.342 1.00 0.00 N ATOM 1173 CA SER A 78 2.718 0.456 -5.208 1.00 0.00 C ATOM 1174 C SER A 78 2.841 -0.465 -3.993 1.00 0.00 C ATOM 1175 O SER A 78 3.538 -1.460 -4.015 1.00 0.00 O ATOM 1176 CB SER A 78 1.297 0.408 -5.760 1.00 0.00 C ATOM 1177 OG SER A 78 1.258 -0.476 -6.872 1.00 0.00 O ATOM 0 H SER A 78 3.061 -0.510 -7.073 1.00 0.00 H new ATOM 0 HA SER A 78 3.013 1.447 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.605 0.071 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.977 1.405 -6.062 1.00 0.00 H new ATOM 0 HG SER A 78 0.353 -0.838 -6.971 1.00 0.00 H new ATOM 1183 N CYS A 79 2.151 -0.133 -2.936 1.00 0.00 N ATOM 1184 CA CYS A 79 2.198 -0.973 -1.709 1.00 0.00 C ATOM 1185 C CYS A 79 1.711 -2.385 -2.035 1.00 0.00 C ATOM 1186 O CYS A 79 2.466 -3.337 -2.012 1.00 0.00 O ATOM 1187 CB CYS A 79 1.248 -0.279 -0.732 1.00 0.00 C ATOM 1188 SG CYS A 79 1.937 1.330 -0.263 1.00 0.00 S ATOM 0 H CYS A 79 1.553 0.691 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 79 3.202 -1.071 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.268 -0.147 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.104 -0.898 0.154 1.00 0.00 H new ATOM 1193 N VAL A 80 0.454 -2.524 -2.355 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.082 -3.871 -2.703 1.00 0.00 C ATOM 1195 C VAL A 80 0.497 -4.314 -4.050 1.00 0.00 C ATOM 1196 O VAL A 80 0.610 -5.490 -4.333 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.594 -3.684 -2.803 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.212 -4.893 -3.506 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.192 -3.550 -1.397 1.00 0.00 C ATOM 0 H VAL A 80 -0.225 -1.764 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 80 0.179 -4.632 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.809 -2.781 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.291 -4.760 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.791 -4.986 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.995 -5.796 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.271 -3.417 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.977 -4.451 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.754 -2.687 -0.896 1.00 0.00 H new ATOM 1209 N GLY A 81 0.866 -3.374 -4.881 1.00 0.00 N ATOM 1210 CA GLY A 81 1.445 -3.730 -6.209 1.00 0.00 C ATOM 1211 C GLY A 81 2.814 -4.378 -6.003 1.00 0.00 C ATOM 1212 O GLY A 81 3.135 -5.380 -6.611 1.00 0.00 O ATOM 0 H GLY A 81 0.791 -2.374 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.781 -4.415 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.541 -2.838 -6.828 1.00 0.00 H new ATOM 1216 N CYS A 82 3.614 -3.826 -5.133 1.00 0.00 N ATOM 1217 CA CYS A 82 4.954 -4.427 -4.870 1.00 0.00 C ATOM 1218 C CYS A 82 4.763 -5.661 -4.002 1.00 0.00 C ATOM 1219 O CYS A 82 5.588 -6.553 -3.962 1.00 0.00 O ATOM 1220 CB CYS A 82 5.736 -3.358 -4.104 1.00 0.00 C ATOM 1221 SG CYS A 82 7.500 -3.768 -4.129 1.00 0.00 S ATOM 0 H CYS A 82 3.400 -2.987 -4.594 1.00 0.00 H new ATOM 0 HA CYS A 82 5.475 -4.722 -5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.573 -2.379 -4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.380 -3.298 -3.076 1.00 0.00 H new ATOM 1226 N HIS A 83 3.666 -5.703 -3.306 1.00 0.00 N ATOM 1227 CA HIS A 83 3.375 -6.857 -2.425 1.00 0.00 C ATOM 1228 C HIS A 83 2.980 -8.073 -3.270 1.00 0.00 C ATOM 1229 O HIS A 83 3.604 -9.113 -3.201 1.00 0.00 O ATOM 1230 CB HIS A 83 2.222 -6.364 -1.554 1.00 0.00 C ATOM 1231 CG HIS A 83 2.793 -5.674 -0.348 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.098 -5.560 0.846 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.004 -5.062 -0.136 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.889 -4.910 1.715 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.061 -4.584 1.168 1.00 0.00 N ATOM 0 H HIS A 83 2.951 -4.976 -3.312 1.00 0.00 H new ATOM 0 HA HIS A 83 4.226 -7.179 -1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.589 -5.679 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.594 -7.201 -1.249 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.157 -5.907 1.031 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.791 -4.967 -0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.610 -4.679 2.733 1.00 0.00 H new ATOM 1243 N LEU A 84 1.967 -7.950 -4.087 1.00 0.00 N ATOM 1244 CA LEU A 84 1.567 -9.091 -4.946 1.00 0.00 C ATOM 1245 C LEU A 84 2.783 -9.594 -5.728 1.00 0.00 C ATOM 1246 O LEU A 84 2.852 -10.742 -6.121 1.00 0.00 O ATOM 1247 CB LEU A 84 0.524 -8.498 -5.887 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.738 -9.354 -5.850 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.944 -8.507 -6.261 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.587 -10.532 -6.815 1.00 0.00 C ATOM 0 H LEU A 84 1.403 -7.107 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 84 1.178 -9.940 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.291 -7.475 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.917 -8.455 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.889 -9.732 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.845 -9.120 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.053 -7.671 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.794 -8.126 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.489 -11.143 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.434 -10.156 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.270 -11.137 -6.519 1.00 0.00 H new ATOM 1262 N GLU A 85 3.745 -8.739 -5.946 1.00 0.00 N ATOM 1263 CA GLU A 85 4.965 -9.158 -6.693 1.00 0.00 C ATOM 1264 C GLU A 85 6.046 -9.610 -5.707 1.00 0.00 C ATOM 1265 O GLU A 85 6.603 -10.683 -5.831 1.00 0.00 O ATOM 1266 CB GLU A 85 5.419 -7.908 -7.448 1.00 0.00 C ATOM 1267 CG GLU A 85 4.841 -7.930 -8.864 1.00 0.00 C ATOM 1268 CD GLU A 85 5.821 -7.257 -9.826 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.759 -6.638 -9.350 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.619 -7.373 -11.024 1.00 0.00 O ATOM 0 H GLU A 85 3.738 -7.767 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 85 4.774 -9.992 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.088 -7.012 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.508 -7.870 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.656 -8.958 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.882 -7.413 -8.885 1.00 0.00 H new ATOM 1277 N THR A 86 6.341 -8.803 -4.724 1.00 0.00 N ATOM 1278 CA THR A 86 7.380 -9.195 -3.728 1.00 0.00 C ATOM 1279 C THR A 86 7.055 -10.577 -3.160 1.00 0.00 C ATOM 1280 O THR A 86 7.906 -11.257 -2.623 1.00 0.00 O ATOM 1281 CB THR A 86 7.308 -8.124 -2.633 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.033 -6.976 -3.049 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.913 -8.668 -1.337 1.00 0.00 C ATOM 0 H THR A 86 5.909 -7.892 -4.567 1.00 0.00 H new ATOM 0 HA THR A 86 8.377 -9.255 -4.164 1.00 0.00 H new ATOM 0 HB THR A 86 6.266 -7.856 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.434 -6.367 -3.529 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.860 -7.904 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.356 -9.549 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.955 -8.940 -1.508 1.00 0.00 H new ATOM 1291 N ALA A 87 5.825 -10.999 -3.280 1.00 0.00 N ATOM 1292 CA ALA A 87 5.440 -12.339 -2.754 1.00 0.00 C ATOM 1293 C ALA A 87 5.712 -13.413 -3.808 1.00 0.00 C ATOM 1294 O ALA A 87 6.108 -14.519 -3.499 1.00 0.00 O ATOM 1295 CB ALA A 87 3.941 -12.236 -2.464 1.00 0.00 C ATOM 0 H ALA A 87 5.070 -10.473 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 87 6.007 -12.615 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.580 -13.187 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.766 -11.450 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.408 -11.997 -3.384 1.00 0.00 H new ATOM 1301 N GLY A 88 5.505 -13.091 -5.054 1.00 0.00 N ATOM 1302 CA GLY A 88 5.753 -14.084 -6.135 1.00 0.00 C ATOM 1303 C GLY A 88 4.852 -15.302 -5.930 1.00 0.00 C ATOM 1304 O GLY A 88 3.656 -15.182 -5.755 1.00 0.00 O ATOM 0 H GLY A 88 5.174 -12.180 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.557 -13.634 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.800 -14.388 -6.130 1.00 0.00 H new ATOM 1308 N ALA A 89 5.418 -16.477 -5.952 1.00 0.00 N ATOM 1309 CA ALA A 89 4.596 -17.706 -5.761 1.00 0.00 C ATOM 1310 C ALA A 89 4.633 -18.147 -4.298 1.00 0.00 C ATOM 1311 O ALA A 89 4.835 -19.305 -3.993 1.00 0.00 O ATOM 1312 CB ALA A 89 5.253 -18.759 -6.645 1.00 0.00 C ATOM 0 H ALA A 89 6.415 -16.640 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 89 3.550 -17.545 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.705 -19.698 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.240 -18.423 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.284 -18.910 -6.325 1.00 0.00 H new ATOM 1318 N ASP A 90 4.434 -17.234 -3.394 1.00 0.00 N ATOM 1319 CA ASP A 90 4.452 -17.594 -1.955 1.00 0.00 C ATOM 1320 C ASP A 90 3.102 -17.257 -1.329 1.00 0.00 C ATOM 1321 O ASP A 90 2.931 -16.239 -0.691 1.00 0.00 O ATOM 1322 CB ASP A 90 5.565 -16.747 -1.348 1.00 0.00 C ATOM 1323 CG ASP A 90 5.616 -16.971 0.163 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.680 -17.550 0.689 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.591 -16.559 0.771 1.00 0.00 O ATOM 0 H ASP A 90 4.259 -16.249 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 90 4.626 -18.657 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.522 -17.011 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.392 -15.693 -1.564 1.00 0.00 H new ATOM 1330 N ALA A 91 2.145 -18.112 -1.524 1.00 0.00 N ATOM 1331 CA ALA A 91 0.783 -17.870 -0.961 1.00 0.00 C ATOM 1332 C ALA A 91 0.889 -17.259 0.439 1.00 0.00 C ATOM 1333 O ALA A 91 0.008 -16.550 0.886 1.00 0.00 O ATOM 1334 CB ALA A 91 0.131 -19.251 -0.894 1.00 0.00 C ATOM 0 H ALA A 91 2.243 -18.978 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 91 0.204 -17.174 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.877 -19.158 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.082 -19.679 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.722 -19.902 -0.250 1.00 0.00 H new ATOM 1340 N ALA A 92 1.968 -17.510 1.127 1.00 0.00 N ATOM 1341 CA ALA A 92 2.138 -16.925 2.484 1.00 0.00 C ATOM 1342 C ALA A 92 2.506 -15.454 2.334 1.00 0.00 C ATOM 1343 O ALA A 92 2.030 -14.598 3.052 1.00 0.00 O ATOM 1344 CB ALA A 92 3.284 -17.710 3.123 1.00 0.00 C ATOM 0 H ALA A 92 2.739 -18.096 0.807 1.00 0.00 H new ATOM 0 HA ALA A 92 1.236 -16.985 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.467 -17.333 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.018 -18.766 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.186 -17.592 2.522 1.00 0.00 H new ATOM 1350 N LYS A 93 3.339 -15.162 1.379 1.00 0.00 N ATOM 1351 CA LYS A 93 3.739 -13.755 1.135 1.00 0.00 C ATOM 1352 C LYS A 93 2.584 -13.015 0.461 1.00 0.00 C ATOM 1353 O LYS A 93 2.465 -11.810 0.553 1.00 0.00 O ATOM 1354 CB LYS A 93 4.934 -13.859 0.195 1.00 0.00 C ATOM 1355 CG LYS A 93 6.226 -13.800 1.007 1.00 0.00 C ATOM 1356 CD LYS A 93 7.427 -13.794 0.058 1.00 0.00 C ATOM 1357 CE LYS A 93 8.721 -13.723 0.873 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.602 -14.770 0.285 1.00 0.00 N ATOM 0 H LYS A 93 3.763 -15.845 0.752 1.00 0.00 H new ATOM 0 HA LYS A 93 3.985 -13.211 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.888 -14.791 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.911 -13.047 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.236 -12.905 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.285 -14.656 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.422 -14.693 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.364 -12.943 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.179 -12.736 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.533 -13.912 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.510 -14.784 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.143 -15.699 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.769 -14.559 -0.720 1.00 0.00 H new ATOM 1372 N LYS A 94 1.724 -13.732 -0.209 1.00 0.00 N ATOM 1373 CA LYS A 94 0.571 -13.067 -0.877 1.00 0.00 C ATOM 1374 C LYS A 94 -0.497 -12.727 0.165 1.00 0.00 C ATOM 1375 O LYS A 94 -1.291 -11.826 -0.012 1.00 0.00 O ATOM 1376 CB LYS A 94 0.044 -14.087 -1.886 1.00 0.00 C ATOM 1377 CG LYS A 94 0.341 -13.600 -3.306 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.767 -14.066 -4.250 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.148 -14.798 -5.443 1.00 0.00 C ATOM 1380 NZ LYS A 94 0.487 -16.014 -4.861 1.00 0.00 N ATOM 0 H LYS A 94 1.770 -14.745 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 94 0.852 -12.135 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.512 -15.057 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.029 -14.224 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.412 -12.512 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.304 -13.987 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.455 -14.726 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.348 -13.211 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.906 -15.063 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.587 -14.174 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.356 -16.817 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.503 -15.843 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.045 -16.232 -3.945 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.509 -13.438 1.258 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.510 -13.155 2.324 1.00 0.00 C ATOM 1396 C LYS A 95 -0.956 -12.093 3.274 1.00 0.00 C ATOM 1397 O LYS A 95 -1.685 -11.438 3.991 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.698 -14.484 3.055 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.412 -14.854 3.796 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.761 -15.403 5.181 1.00 0.00 C ATOM 1401 CE LYS A 95 -0.366 -14.381 6.250 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.279 -15.163 7.515 1.00 0.00 N ATOM 0 H LYS A 95 0.133 -14.205 1.459 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.452 -12.778 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.526 -14.408 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.957 -15.268 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.146 -15.598 3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.230 -13.978 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.829 -15.614 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.239 -16.345 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.587 -13.908 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.106 -13.585 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.012 -14.531 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.202 -15.596 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.438 -15.909 7.413 1.00 0.00 H new ATOM 1416 N GLU A 96 0.336 -11.924 3.277 1.00 0.00 N ATOM 1417 CA GLU A 96 0.966 -10.911 4.168 1.00 0.00 C ATOM 1418 C GLU A 96 1.158 -9.603 3.406 1.00 0.00 C ATOM 1419 O GLU A 96 0.903 -8.526 3.908 1.00 0.00 O ATOM 1420 CB GLU A 96 2.317 -11.520 4.537 1.00 0.00 C ATOM 1421 CG GLU A 96 3.221 -11.568 3.315 1.00 0.00 C ATOM 1422 CD GLU A 96 4.609 -12.060 3.734 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.674 -12.990 4.520 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.582 -11.497 3.260 1.00 0.00 O ATOM 0 H GLU A 96 0.988 -12.449 2.695 1.00 0.00 H new ATOM 0 HA GLU A 96 0.363 -10.683 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.787 -10.930 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.175 -12.525 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.799 -12.233 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.294 -10.579 2.863 1.00 0.00 H new ATOM 1431 N LEU A 97 1.612 -9.703 2.196 1.00 0.00 N ATOM 1432 CA LEU A 97 1.840 -8.486 1.367 1.00 0.00 C ATOM 1433 C LEU A 97 0.523 -7.966 0.790 1.00 0.00 C ATOM 1434 O LEU A 97 0.110 -6.859 1.071 1.00 0.00 O ATOM 1435 CB LEU A 97 2.768 -8.957 0.254 1.00 0.00 C ATOM 1436 CG LEU A 97 4.045 -9.524 0.872 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.120 -9.619 -0.202 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.528 -8.601 1.995 1.00 0.00 C ATOM 0 H LEU A 97 1.839 -10.584 1.736 1.00 0.00 H new ATOM 0 HA LEU A 97 2.264 -7.664 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.274 -9.717 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.009 -8.127 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 97 3.843 -10.514 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.034 -10.023 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.778 -10.275 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.319 -8.627 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.439 -9.008 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.732 -7.610 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.757 -8.527 2.762 1.00 0.00 H new ATOM 1450 N THR A 98 -0.134 -8.741 -0.020 1.00 0.00 N ATOM 1451 CA THR A 98 -1.417 -8.265 -0.616 1.00 0.00 C ATOM 1452 C THR A 98 -2.608 -8.652 0.259 1.00 0.00 C ATOM 1453 O THR A 98 -3.728 -8.257 0.005 1.00 0.00 O ATOM 1454 CB THR A 98 -1.505 -8.959 -1.971 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.508 -10.368 -1.782 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.302 -8.557 -2.823 1.00 0.00 C ATOM 0 H THR A 98 0.156 -9.679 -0.297 1.00 0.00 H new ATOM 0 HA THR A 98 -1.441 -7.179 -0.704 1.00 0.00 H new ATOM 0 HB THR A 98 -2.424 -8.662 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.491 -10.569 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.361 -9.051 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.302 -7.476 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.617 -8.856 -2.319 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.384 -9.421 1.284 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.516 -9.821 2.162 1.00 0.00 C ATOM 1466 C GLY A 99 -4.213 -8.568 2.699 1.00 0.00 C ATOM 1467 O GLY A 99 -3.619 -7.750 3.371 1.00 0.00 O ATOM 0 H GLY A 99 -1.471 -9.789 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.224 -10.433 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.151 -10.430 2.989 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.468 -8.407 2.403 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.197 -7.205 2.900 1.00 0.00 C ATOM 1473 C CYS A 100 -6.627 -7.395 4.348 1.00 0.00 C ATOM 1474 O CYS A 100 -6.276 -6.631 5.215 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.449 -7.062 2.039 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.247 -7.901 0.439 1.00 0.00 S ATOM 0 H CYS A 100 -6.023 -9.052 1.840 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.553 -6.327 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.306 -7.481 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.661 -6.006 1.874 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.420 -8.384 4.610 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.902 -8.590 6.005 1.00 0.00 C ATOM 1483 C LYS A 101 -7.125 -9.705 6.714 1.00 0.00 C ATOM 1484 O LYS A 101 -7.579 -10.250 7.701 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.368 -8.985 5.853 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.225 -8.158 6.814 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.743 -6.913 6.094 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.196 -7.135 5.670 1.00 0.00 C ATOM 1489 NZ LYS A 101 -12.631 -5.833 5.090 1.00 0.00 N ATOM 0 H LYS A 101 -7.758 -9.060 3.926 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.764 -7.694 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.695 -8.821 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.492 -10.048 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.061 -8.755 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.637 -7.869 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.673 -6.045 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.126 -6.702 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.275 -7.939 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.817 -7.415 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.620 -5.906 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.551 -5.088 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.026 -5.595 4.278 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.965 -10.051 6.234 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.188 -11.134 6.906 1.00 0.00 C ATOM 1505 C GLY A 102 -3.712 -11.047 6.511 1.00 0.00 C ATOM 1506 O GLY A 102 -3.061 -12.050 6.294 1.00 0.00 O ATOM 0 H GLY A 102 -5.522 -9.637 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.288 -11.046 7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.590 -12.108 6.626 1.00 0.00 H new ATOM 1510 N SER A 103 -3.179 -9.862 6.405 1.00 0.00 N ATOM 1511 CA SER A 103 -1.754 -9.723 6.014 1.00 0.00 C ATOM 1512 C SER A 103 -0.971 -8.918 7.050 1.00 0.00 C ATOM 1513 O SER A 103 -1.261 -8.942 8.230 1.00 0.00 O ATOM 1514 CB SER A 103 -1.806 -8.973 4.694 1.00 0.00 C ATOM 1515 OG SER A 103 -1.628 -7.583 4.932 1.00 0.00 O ATOM 0 H SER A 103 -3.671 -8.985 6.573 1.00 0.00 H new ATOM 0 HA SER A 103 -1.252 -10.688 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.029 -9.341 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.762 -9.149 4.201 1.00 0.00 H new ATOM 0 HG SER A 103 -2.317 -7.078 4.451 1.00 0.00 H new ATOM 1521 N LYS A 104 0.018 -8.201 6.602 1.00 0.00 N ATOM 1522 CA LYS A 104 0.841 -7.374 7.523 1.00 0.00 C ATOM 1523 C LYS A 104 0.404 -5.928 7.403 1.00 0.00 C ATOM 1524 O LYS A 104 0.576 -5.121 8.296 1.00 0.00 O ATOM 1525 CB LYS A 104 2.257 -7.522 6.989 1.00 0.00 C ATOM 1526 CG LYS A 104 2.719 -8.972 7.140 1.00 0.00 C ATOM 1527 CD LYS A 104 3.382 -9.157 8.506 1.00 0.00 C ATOM 1528 CE LYS A 104 4.781 -9.749 8.320 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.559 -11.214 8.167 1.00 0.00 N ATOM 0 H LYS A 104 0.295 -8.152 5.622 1.00 0.00 H new ATOM 0 HA LYS A 104 0.752 -7.673 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.293 -7.227 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.931 -6.858 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.869 -9.648 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.421 -9.226 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.447 -8.200 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.777 -9.816 9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.274 -9.330 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.419 -9.533 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.473 -11.692 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.094 -11.586 9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.954 -11.389 7.339 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.139 -5.605 6.273 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.581 -4.219 6.012 1.00 0.00 C ATOM 1545 C CYS A 105 -1.933 -3.948 6.681 1.00 0.00 C ATOM 1546 O CYS A 105 -2.267 -2.822 6.990 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.701 -4.169 4.493 1.00 0.00 C ATOM 1548 SG CYS A 105 0.073 -2.655 3.872 1.00 0.00 S ATOM 0 H CYS A 105 -0.298 -6.256 5.504 1.00 0.00 H new ATOM 0 HA CYS A 105 0.102 -3.467 6.408 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.221 -5.042 4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.750 -4.200 4.200 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.710 -4.971 6.912 1.00 0.00 N ATOM 1554 CA HIS A 106 -4.036 -4.765 7.567 1.00 0.00 C ATOM 1555 C HIS A 106 -4.152 -5.645 8.814 1.00 0.00 C ATOM 1556 O HIS A 106 -5.057 -6.447 8.937 1.00 0.00 O ATOM 1557 CB HIS A 106 -5.064 -5.185 6.517 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.404 -4.010 5.641 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.355 -2.708 6.115 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.750 -3.914 4.309 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.649 -1.890 5.091 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.890 -2.566 3.966 1.00 0.00 N ATOM 0 H HIS A 106 -2.486 -5.938 6.677 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.182 -3.735 7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.667 -6.000 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.964 -5.560 7.005 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.135 -2.423 7.069 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.890 -4.748 3.638 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.686 -0.813 5.169 1.00 0.00 H new ATOM 1570 N SER A 107 -3.244 -5.503 9.739 1.00 0.00 N ATOM 1571 CA SER A 107 -3.304 -6.332 10.977 1.00 0.00 C ATOM 1572 C SER A 107 -4.704 -6.262 11.593 1.00 0.00 C ATOM 1573 O SER A 107 -5.070 -7.192 12.291 1.00 0.00 O ATOM 1574 CB SER A 107 -2.273 -5.714 11.918 1.00 0.00 C ATOM 1575 OG SER A 107 -1.881 -6.680 12.885 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.385 -5.278 11.356 1.00 0.00 O ATOM 0 H SER A 107 -2.463 -4.849 9.692 1.00 0.00 H new ATOM 0 HA SER A 107 -3.096 -7.384 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.405 -5.375 11.353 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.693 -4.838 12.412 1.00 0.00 H new ATOM 0 HG SER A 107 -1.218 -6.287 13.490 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.312 6.582 3.333 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.815 8.005 5.103 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.415 9.001 4.410 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.853 5.095 1.688 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.188 4.241 2.213 1.00 0.00 C HETATM 1588 NA HEC A 201 9.143 8.148 4.458 1.00 0.00 N HETATM 1589 C1A HEC A 201 8.039 8.561 5.170 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.324 9.642 6.053 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.594 9.965 5.845 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.111 9.052 4.840 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.303 11.001 6.687 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.419 10.212 7.132 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.280 11.021 6.513 1.00 0.00 C HETATM 1596 CGA HEC A 201 6.118 12.340 7.272 1.00 0.00 C HETATM 1597 O1A HEC A 201 6.601 13.346 6.781 1.00 0.00 O HETATM 1598 O2A HEC A 201 5.513 12.320 8.332 1.00 0.00 O HETATM 1599 NB HEC A 201 11.201 6.955 3.109 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.931 8.011 3.612 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.321 7.925 3.225 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.444 6.810 2.477 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.132 6.226 2.403 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.431 8.893 3.596 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.707 6.248 1.842 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.692 5.682 2.867 1.00 0.00 C HETATM 1607 NC HEC A 201 9.493 5.005 2.223 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.621 4.518 1.605 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.337 3.366 0.791 1.00 0.00 C HETATM 1610 C3C HEC A 201 9.019 3.159 0.913 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.501 4.158 1.810 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.321 2.559 -0.040 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.191 2.117 0.197 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.730 0.699 0.389 1.00 0.00 C HETATM 1615 ND HEC A 201 7.426 6.216 3.589 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.686 5.175 3.089 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.334 5.200 3.622 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.241 6.305 4.376 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.527 6.908 4.362 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.249 4.153 3.492 1.00 0.00 C HETATM 1621 CAD HEC A 201 4.038 6.867 5.109 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.649 5.979 6.292 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.663 6.732 7.188 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.568 7.941 7.045 1.00 0.00 O HETATM 1625 O2D HEC A 201 2.021 6.088 8.002 1.00 0.00 O HETATM 0 HMD3 HEC A 201 4.019 3.997 2.438 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.593 3.216 3.931 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.353 4.491 4.013 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.784 3.206 -0.785 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 12.092 2.144 0.610 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.794 1.747 -0.541 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.187 9.887 3.221 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.534 8.930 4.680 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.369 8.558 3.153 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.790 11.958 6.595 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.299 10.686 7.731 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.332 11.107 6.344 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 3.199 5.053 5.934 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.537 5.702 6.861 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.747 0.641 0.001 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.732 0.451 1.450 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 8.096 -0.007 -0.147 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.992 6.470 3.557 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.215 4.875 3.423 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.572 5.297 2.352 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.489 11.218 5.462 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.352 10.451 6.552 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.262 7.873 5.464 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.196 6.951 4.422 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 7.010 9.402 7.735 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.999 10.846 7.802 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.491 3.509 1.806 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.672 4.622 1.147 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.085 9.801 4.724 1.00 0.00 H new HETATM 0 HHA HEC A 201 6.010 8.463 5.677 1.00 0.00 H new HETATM 1658 FE HEC A 202 3.031 8.530 -5.373 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.892 8.082 -8.502 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.921 5.217 -4.928 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.314 8.915 -2.290 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.818 11.853 -5.768 1.00 0.00 C HETATM 1663 NA HEC A 202 2.503 7.025 -6.441 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.947 7.022 -7.681 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.388 5.761 -8.007 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.699 4.933 -7.018 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.417 5.715 -6.069 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.314 3.478 -6.914 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.605 5.396 -9.235 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.477 6.414 -9.600 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.098 6.035 -10.947 1.00 0.00 C HETATM 1672 O1A HEC A 202 -0.693 5.026 -11.501 1.00 0.00 O HETATM 1673 O2A HEC A 202 -1.966 6.761 -11.401 1.00 0.00 O HETATM 1674 NB HEC A 202 3.593 7.340 -3.986 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.485 5.969 -3.960 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.893 5.405 -2.718 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.269 6.425 -1.944 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.096 7.636 -2.736 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.855 3.933 -2.348 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.731 6.236 -0.514 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.245 6.096 -0.386 1.00 0.00 C HETATM 1682 NC HEC A 202 3.511 10.043 -4.288 1.00 0.00 N HETATM 1683 C1C HEC A 202 4.057 10.054 -3.023 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.212 11.407 -2.537 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.699 12.204 -3.506 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.322 11.360 -4.591 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.829 11.835 -1.215 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.388 13.687 -3.499 1.00 0.00 C HETATM 1689 CBC HEC A 202 3.963 14.461 -2.316 1.00 0.00 C HETATM 1690 ND HEC A 202 2.463 9.705 -6.812 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.425 11.079 -6.837 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.147 11.563 -8.179 1.00 0.00 C HETATM 1693 C3D HEC A 202 2.033 10.471 -8.963 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.156 9.349 -8.100 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.024 12.998 -8.651 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.978 10.350 -10.476 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.229 10.956 -11.110 1.00 0.00 C HETATM 1698 CGD HEC A 202 2.913 11.402 -12.540 1.00 0.00 C HETATM 1699 O1D HEC A 202 2.631 10.543 -13.359 1.00 0.00 O HETATM 1700 O2D HEC A 202 2.959 12.595 -12.790 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.214 13.490 -8.112 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.959 13.525 -8.461 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.810 13.012 -9.720 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.265 11.397 -0.392 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.863 11.493 -1.168 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.802 12.922 -1.136 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.829 3.570 -2.406 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.480 3.368 -3.040 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.229 3.803 -1.332 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.228 3.388 -6.913 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.722 2.932 -7.765 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.714 3.061 -5.990 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.573 11.806 -10.520 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.037 10.224 -11.116 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.564 14.054 -1.387 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.049 14.370 -2.315 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 3.687 15.512 -2.400 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.580 5.230 -0.957 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.727 6.994 -0.772 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.511 5.964 0.663 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.245 6.438 -8.827 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.047 7.414 -9.654 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.892 9.301 -10.759 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.090 10.856 -10.855 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.292 5.292 -10.075 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 0.139 4.423 -9.082 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.722 12.935 -5.864 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.719 9.039 -1.286 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.871 4.139 -4.775 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.621 7.916 -9.545 1.00 0.00 H new HETATM 0 HAC HEC A 202 2.798 14.165 -4.281 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.805 -3.484 2.112 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.646 -6.069 4.106 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.588 -2.406 4.400 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.129 -0.774 0.223 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.159 -4.439 -0.124 1.00 0.00 C HETATM 1738 NA HEC A 203 5.237 -4.104 3.865 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.678 -5.207 4.559 1.00 0.00 C HETATM 1740 C2A HEC A 203 4.957 -5.357 5.800 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.076 -4.348 5.867 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.262 -3.566 4.674 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.070 -4.116 6.981 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.109 -6.440 6.847 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.573 -6.852 7.014 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.872 -7.091 8.495 1.00 0.00 C HETATM 1747 O1A HEC A 203 5.945 -7.022 9.285 1.00 0.00 O HETATM 1748 O2A HEC A 203 8.023 -7.341 8.815 1.00 0.00 O HETATM 1749 NB HEC A 203 4.673 -1.912 2.307 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.802 -1.615 3.320 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.127 -0.359 3.108 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.583 0.093 1.932 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.532 -0.862 1.446 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.113 0.307 4.024 1.00 0.00 C HETATM 1755 CAB HEC A 203 3.087 1.266 1.133 1.00 0.00 C HETATM 1756 CBB HEC A 203 4.094 2.418 1.058 1.00 0.00 C HETATM 1757 NC HEC A 203 6.449 -2.798 0.410 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.025 -1.681 -0.268 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.684 -1.540 -1.536 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.536 -2.578 -1.626 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.407 -3.334 -0.413 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.439 -0.447 -2.563 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.409 -2.933 -2.806 1.00 0.00 C HETATM 1764 CBC HEC A 203 9.018 -1.681 -3.438 1.00 0.00 C HETATM 1765 ND HEC A 203 7.071 -4.970 1.982 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.005 -5.212 1.000 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.827 -6.351 1.326 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.376 -6.828 2.497 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.295 -5.966 2.903 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.023 -6.882 0.558 1.00 0.00 C HETATM 1771 CAD HEC A 203 8.926 -8.030 3.245 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.699 -9.319 2.451 1.00 0.00 C HETATM 1773 CGD HEC A 203 9.531 -10.448 3.061 1.00 0.00 C HETATM 1774 O1D HEC A 203 9.270 -10.801 4.199 1.00 0.00 O HETATM 1775 O2D HEC A 203 10.414 -10.942 2.380 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.714 -7.160 -0.450 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.791 -6.111 0.502 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.424 -7.757 1.069 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.398 -0.476 -2.884 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.655 0.525 -2.119 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.088 -0.605 -3.424 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.253 -0.350 4.153 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.571 0.500 4.994 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.787 1.249 3.582 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.401 -4.974 7.052 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.597 -3.988 7.926 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.489 -3.220 6.765 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.642 -9.585 2.463 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 8.978 -9.170 1.408 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.220 -1.022 -3.781 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.627 -1.160 -2.699 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.642 -1.967 -4.285 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 4.313 2.776 2.064 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 5.014 2.068 0.589 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.673 3.231 0.467 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.774 -7.757 6.441 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.228 -6.074 6.621 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 9.992 -7.893 3.427 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.444 -8.109 4.219 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.718 -6.084 7.800 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.515 -7.309 6.563 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.934 -4.726 -0.835 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.874 0.079 -0.406 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.819 -2.094 5.106 1.00 0.00 H new HETATM 0 HHA HEC A 203 6.920 -6.901 4.754 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.852 -1.618 2.016 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.557 1.354 3.447 1.00 0.00 C HETATM 1810 CHB HEC A 204 -9.097 -2.064 1.315 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.126 -4.703 0.876 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.565 -1.036 2.481 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.464 -0.634 2.394 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.591 0.578 3.030 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.946 1.033 3.080 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.682 0.087 2.464 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.755 -0.946 2.039 1.00 0.00 C HETATM 1818 CMA HEC A 204 -11.180 0.141 2.212 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.410 2.356 3.673 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.178 3.173 2.635 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.291 4.624 3.105 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.757 4.833 4.214 1.00 0.00 O HETATM 1823 O2A HEC A 204 -9.909 5.502 2.350 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.875 -3.041 1.236 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.210 -3.031 0.903 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.561 -4.181 0.102 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.440 -4.923 0.030 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.414 -4.234 0.743 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.910 -4.484 -0.529 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.265 -6.335 -0.461 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.777 -6.362 -1.906 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.224 -2.615 1.687 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.094 -3.930 1.306 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.736 -4.393 1.406 1.00 0.00 C HETATM 1835 C3C HEC A 204 -2.031 -3.338 1.839 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.938 -2.242 1.966 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.218 -5.792 1.115 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.608 -3.296 2.327 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.429 -3.264 1.204 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.800 -0.151 2.735 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.433 -0.045 2.833 1.00 0.00 C HETATM 1842 C2D HEC A 204 -3.032 1.210 3.425 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.169 1.877 3.693 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.247 1.025 3.288 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.613 1.684 3.692 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.309 3.290 4.225 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.761 3.410 5.645 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.004 4.829 6.165 1.00 0.00 C HETATM 1849 O1D HEC A 204 -5.061 5.059 6.729 1.00 0.00 O HETATM 1850 O2D HEC A 204 -3.128 5.661 5.993 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.118 0.987 4.368 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.062 1.731 2.752 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.640 2.674 4.147 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.711 -6.507 1.774 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.430 -6.050 0.077 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.142 -5.824 1.284 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.668 -4.558 0.251 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.177 -3.684 -1.220 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.854 -5.428 -1.071 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.706 0.217 3.163 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.414 1.010 1.597 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.495 -0.765 1.695 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.247 2.684 6.297 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.695 3.185 5.655 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.325 -4.157 0.587 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.272 -2.378 0.589 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.430 -3.235 1.634 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.504 -5.860 -2.545 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.818 -5.849 -1.976 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.660 -7.396 -2.231 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.667 3.130 1.673 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -11.171 2.750 2.487 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.779 3.981 3.570 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.359 3.582 4.213 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.045 2.169 4.539 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.549 2.924 4.026 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.500 -0.851 2.621 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.924 -5.744 0.624 1.00 0.00 H new HETATM 0 HHB HEC A 204 -10.146 -2.193 1.049 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.792 2.298 3.939 1.00 0.00 H new