USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 908 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAC : A 202 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 74 THR OG1 : rot 97:sc= 0.84 USER MOD Set 1.2: A 78 SER OG : rot 141:sc= 0.56! USER MOD Set 2.1: A 44 GLN : amide:sc= -0.694 X(o=-0.77,f=-0.95) USER MOD Set 2.2: A 48 THR OG1 : rot 135:sc= -0.0791 USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0689 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -179:sc= -13.1! (180deg=-13.2!) USER MOD Single : A 13 LYS NZ :NH3+ -101:sc= 0.576 (180deg=-0.333) USER MOD Single : A 14 THR OG1 : rot 41:sc= -4.3! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.481 F(o=-1.7,f=-0.48) USER MOD Single : A 21 ASN : amide:sc= -6.92! C(o=-6.9!,f=-16!) USER MOD Single : A 23 SER OG : rot 143:sc= 1.13 USER MOD Single : A 24 THR OG1 : rot 82:sc= -0.962! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= 0.441 F(o=-1.7,f=0.44) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 19:sc= 0.428 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0219 F(o=-1,f=-0.022) USER MOD Single : A 55 MET CE :methyl -105:sc= -9.06! (180deg=-10.7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 110:sc= -0.983 USER MOD Single : A 66 TYR OH : rot 0:sc= -0.0868 USER MOD Single : A 67 HIS : no HE2:sc= -15.8! C(o=-16!,f=-27!) USER MOD Single : A 69 MET CE :methyl -169:sc= -1.32 (180deg=-1.93) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0.664 (180deg=0.0765!) USER MOD Single : A 86 THR OG1 : rot 96:sc= 0.63 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 28:sc= 0.395 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -156:sc= 0.593 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 20.404 14.613 2.366 1.00 0.00 N ATOM 2 CA ALA A 1 19.575 13.411 2.067 1.00 0.00 C ATOM 3 C ALA A 1 18.418 13.305 3.065 1.00 0.00 C ATOM 4 O ALA A 1 18.491 13.830 4.159 1.00 0.00 O ATOM 5 CB ALA A 1 20.526 12.224 2.220 1.00 0.00 C ATOM 0 H1 ALA A 1 20.193 15.361 1.675 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.187 14.955 3.324 1.00 0.00 H new ATOM 0 H3 ALA A 1 21.412 14.363 2.308 1.00 0.00 H new ATOM 0 HA ALA A 1 19.133 13.452 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.988 11.298 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.352 12.327 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.916 12.199 3.237 1.00 0.00 H new ATOM 13 N PRO A 2 17.385 12.622 2.650 1.00 0.00 N ATOM 14 CA PRO A 2 16.194 12.439 3.514 1.00 0.00 C ATOM 15 C PRO A 2 16.492 11.455 4.644 1.00 0.00 C ATOM 16 O PRO A 2 17.037 10.391 4.426 1.00 0.00 O ATOM 17 CB PRO A 2 15.147 11.860 2.567 1.00 0.00 C ATOM 18 CG PRO A 2 15.933 11.208 1.473 1.00 0.00 C ATOM 19 CD PRO A 2 17.231 11.964 1.349 1.00 0.00 C ATOM 0 HA PRO A 2 15.873 13.365 3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.508 11.139 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.496 12.641 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.119 10.159 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.381 11.234 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.065 11.294 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.194 12.690 0.537 1.00 0.00 H new ATOM 27 N LYS A 3 16.128 11.792 5.850 1.00 0.00 N ATOM 28 CA LYS A 3 16.382 10.861 6.982 1.00 0.00 C ATOM 29 C LYS A 3 15.153 9.995 7.226 1.00 0.00 C ATOM 30 O LYS A 3 14.305 10.309 8.038 1.00 0.00 O ATOM 31 CB LYS A 3 16.641 11.742 8.190 1.00 0.00 C ATOM 32 CG LYS A 3 17.779 12.719 7.886 1.00 0.00 C ATOM 33 CD LYS A 3 18.913 12.512 8.890 1.00 0.00 C ATOM 34 CE LYS A 3 18.701 13.425 10.099 1.00 0.00 C ATOM 35 NZ LYS A 3 18.857 12.538 11.285 1.00 0.00 N ATOM 0 H LYS A 3 15.668 12.668 6.099 1.00 0.00 H new ATOM 0 HA LYS A 3 17.222 10.197 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.737 12.292 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.899 11.126 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.145 12.563 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.415 13.745 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.944 11.470 9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.872 12.730 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.430 14.235 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.713 13.885 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.725 13.094 12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.146 11.780 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.809 12.120 11.283 1.00 0.00 H new ATOM 49 N ALA A 4 15.057 8.912 6.527 1.00 0.00 N ATOM 50 CA ALA A 4 13.887 8.006 6.703 1.00 0.00 C ATOM 51 C ALA A 4 13.537 7.887 8.187 1.00 0.00 C ATOM 52 O ALA A 4 14.410 7.779 9.024 1.00 0.00 O ATOM 53 CB ALA A 4 14.341 6.655 6.148 1.00 0.00 C ATOM 0 H ALA A 4 15.740 8.606 5.834 1.00 0.00 H new ATOM 0 HA ALA A 4 12.997 8.374 6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.531 5.932 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.609 6.765 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.208 6.304 6.708 1.00 0.00 H new ATOM 59 N PRO A 5 12.263 7.916 8.462 1.00 0.00 N ATOM 60 CA PRO A 5 11.788 7.815 9.856 1.00 0.00 C ATOM 61 C PRO A 5 11.879 6.375 10.354 1.00 0.00 C ATOM 62 O PRO A 5 12.002 5.443 9.584 1.00 0.00 O ATOM 63 CB PRO A 5 10.344 8.296 9.783 1.00 0.00 C ATOM 64 CG PRO A 5 9.915 8.082 8.363 1.00 0.00 C ATOM 65 CD PRO A 5 11.161 8.041 7.507 1.00 0.00 C ATOM 0 HA PRO A 5 12.383 8.402 10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.710 7.737 10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.267 9.347 10.061 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.356 7.151 8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.254 8.886 8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.139 7.199 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.258 8.945 6.906 1.00 0.00 H new ATOM 73 N ALA A 6 11.830 6.191 11.641 1.00 0.00 N ATOM 74 CA ALA A 6 11.926 4.819 12.205 1.00 0.00 C ATOM 75 C ALA A 6 10.829 3.928 11.628 1.00 0.00 C ATOM 76 O ALA A 6 10.040 4.342 10.803 1.00 0.00 O ATOM 77 CB ALA A 6 11.733 4.997 13.711 1.00 0.00 C ATOM 0 H ALA A 6 11.727 6.936 12.330 1.00 0.00 H new ATOM 0 HA ALA A 6 12.877 4.342 11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.790 4.026 14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.514 5.649 14.103 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.757 5.443 13.903 1.00 0.00 H new ATOM 83 N ASP A 7 10.776 2.707 12.068 1.00 0.00 N ATOM 84 CA ASP A 7 9.740 1.771 11.569 1.00 0.00 C ATOM 85 C ASP A 7 8.484 1.898 12.429 1.00 0.00 C ATOM 86 O ASP A 7 8.522 2.406 13.532 1.00 0.00 O ATOM 87 CB ASP A 7 10.359 0.385 11.731 1.00 0.00 C ATOM 88 CG ASP A 7 11.810 0.412 11.245 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.049 0.967 10.186 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.656 -0.124 11.942 1.00 0.00 O ATOM 0 H ASP A 7 11.414 2.314 12.760 1.00 0.00 H new ATOM 0 HA ASP A 7 9.451 1.970 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.320 0.078 12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.788 -0.349 11.162 1.00 0.00 H new ATOM 95 N GLY A 8 7.378 1.436 11.936 1.00 0.00 N ATOM 96 CA GLY A 8 6.119 1.520 12.727 1.00 0.00 C ATOM 97 C GLY A 8 5.299 2.730 12.284 1.00 0.00 C ATOM 98 O GLY A 8 4.370 3.137 12.953 1.00 0.00 O ATOM 0 H GLY A 8 7.286 1.002 11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.536 0.608 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.352 1.598 13.789 1.00 0.00 H new ATOM 102 N LEU A 9 5.619 3.305 11.157 1.00 0.00 N ATOM 103 CA LEU A 9 4.832 4.480 10.687 1.00 0.00 C ATOM 104 C LEU A 9 3.383 4.063 10.486 1.00 0.00 C ATOM 105 O LEU A 9 3.087 3.165 9.728 1.00 0.00 O ATOM 106 CB LEU A 9 5.455 4.898 9.359 1.00 0.00 C ATOM 107 CG LEU A 9 5.716 6.403 9.388 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.020 6.702 8.650 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.565 7.145 8.701 1.00 0.00 C ATOM 0 H LEU A 9 6.383 3.016 10.547 1.00 0.00 H new ATOM 0 HA LEU A 9 4.849 5.302 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.386 4.357 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.788 4.647 8.534 1.00 0.00 H new ATOM 0 HG LEU A 9 5.791 6.735 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.210 7.775 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.842 6.179 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.939 6.365 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.758 8.218 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.485 6.814 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.632 6.932 9.223 1.00 0.00 H new ATOM 121 N LYS A 10 2.478 4.695 11.165 1.00 0.00 N ATOM 122 CA LYS A 10 1.050 4.306 11.012 1.00 0.00 C ATOM 123 C LYS A 10 0.326 5.230 10.038 1.00 0.00 C ATOM 124 O LYS A 10 0.032 6.369 10.340 1.00 0.00 O ATOM 125 CB LYS A 10 0.444 4.432 12.403 1.00 0.00 C ATOM 126 CG LYS A 10 0.451 3.065 13.090 1.00 0.00 C ATOM 127 CD LYS A 10 -0.551 3.069 14.247 1.00 0.00 C ATOM 128 CE LYS A 10 -0.657 1.662 14.837 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.927 1.666 15.614 1.00 0.00 N ATOM 0 H LYS A 10 2.658 5.459 11.816 1.00 0.00 H new ATOM 0 HA LYS A 10 0.958 3.297 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.011 5.151 12.994 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.576 4.811 12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.192 2.285 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.450 2.838 13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.232 3.774 15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.528 3.401 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.676 0.905 14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.196 1.437 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.070 0.733 16.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.877 2.391 16.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.722 1.877 14.978 1.00 0.00 H new ATOM 143 N MET A 11 0.007 4.728 8.883 1.00 0.00 N ATOM 144 CA MET A 11 -0.735 5.555 7.892 1.00 0.00 C ATOM 145 C MET A 11 -2.224 5.460 8.206 1.00 0.00 C ATOM 146 O MET A 11 -2.883 4.512 7.839 1.00 0.00 O ATOM 147 CB MET A 11 -0.427 4.951 6.516 1.00 0.00 C ATOM 148 CG MET A 11 -0.430 3.425 6.595 1.00 0.00 C ATOM 149 SD MET A 11 1.275 2.819 6.574 1.00 0.00 S ATOM 150 CE MET A 11 1.543 2.976 4.791 1.00 0.00 C ATOM 0 H MET A 11 0.227 3.779 8.579 1.00 0.00 H new ATOM 0 HA MET A 11 -0.447 6.606 7.918 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.168 5.286 5.790 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.544 5.302 6.166 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.933 3.098 7.505 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.986 3.007 5.756 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.547 2.633 4.542 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.810 2.370 4.258 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.433 4.020 4.497 1.00 0.00 H new ATOM 160 N ASP A 12 -2.751 6.421 8.909 1.00 0.00 N ATOM 161 CA ASP A 12 -4.198 6.370 9.270 1.00 0.00 C ATOM 162 C ASP A 12 -5.011 7.302 8.381 1.00 0.00 C ATOM 163 O ASP A 12 -6.101 7.716 8.724 1.00 0.00 O ATOM 164 CB ASP A 12 -4.264 6.827 10.722 1.00 0.00 C ATOM 165 CG ASP A 12 -3.354 8.041 10.928 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.188 7.839 11.225 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.839 9.151 10.786 1.00 0.00 O ATOM 0 H ASP A 12 -2.246 7.239 9.250 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.613 5.371 9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.290 7.082 10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.957 6.016 11.382 1.00 0.00 H new ATOM 172 N LYS A 13 -4.495 7.625 7.237 1.00 0.00 N ATOM 173 CA LYS A 13 -5.240 8.519 6.314 1.00 0.00 C ATOM 174 C LYS A 13 -6.674 8.015 6.147 1.00 0.00 C ATOM 175 O LYS A 13 -7.599 8.779 5.960 1.00 0.00 O ATOM 176 CB LYS A 13 -4.482 8.414 4.997 1.00 0.00 C ATOM 177 CG LYS A 13 -3.152 9.159 5.113 1.00 0.00 C ATOM 178 CD LYS A 13 -3.415 10.656 5.288 1.00 0.00 C ATOM 179 CE LYS A 13 -2.083 11.392 5.458 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.442 12.837 5.472 1.00 0.00 N ATOM 0 H LYS A 13 -3.587 7.309 6.897 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.303 9.545 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.304 7.367 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.078 8.836 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.583 8.778 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.549 8.987 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.950 11.046 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.050 10.825 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.585 11.100 6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.398 11.163 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.243 13.253 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.454 12.941 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.881 13.327 6.197 1.00 0.00 H new ATOM 194 N THR A 14 -6.855 6.728 6.218 1.00 0.00 N ATOM 195 CA THR A 14 -8.226 6.151 6.065 1.00 0.00 C ATOM 196 C THR A 14 -8.670 5.469 7.363 1.00 0.00 C ATOM 197 O THR A 14 -7.946 5.437 8.339 1.00 0.00 O ATOM 198 CB THR A 14 -8.107 5.121 4.939 1.00 0.00 C ATOM 199 OG1 THR A 14 -7.015 4.254 5.204 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.883 5.838 3.608 1.00 0.00 C ATOM 0 H THR A 14 -6.114 6.045 6.376 1.00 0.00 H new ATOM 0 HA THR A 14 -8.966 6.919 5.840 1.00 0.00 H new ATOM 0 HB THR A 14 -9.026 4.538 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.997 4.033 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.799 5.102 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.725 6.500 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.965 6.424 3.660 1.00 0.00 H new ATOM 208 N LYS A 15 -9.854 4.918 7.378 1.00 0.00 N ATOM 209 CA LYS A 15 -10.345 4.232 8.608 1.00 0.00 C ATOM 210 C LYS A 15 -9.476 3.008 8.900 1.00 0.00 C ATOM 211 O LYS A 15 -9.399 2.539 10.018 1.00 0.00 O ATOM 212 CB LYS A 15 -11.778 3.809 8.282 1.00 0.00 C ATOM 213 CG LYS A 15 -12.759 4.799 8.910 1.00 0.00 C ATOM 214 CD LYS A 15 -13.629 5.421 7.816 1.00 0.00 C ATOM 215 CE LYS A 15 -14.512 6.513 8.421 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.229 7.114 7.262 1.00 0.00 N ATOM 0 H LYS A 15 -10.503 4.913 6.591 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.304 4.873 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.921 3.775 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.967 2.804 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.386 4.291 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.214 5.578 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.999 5.841 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.249 4.655 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.212 6.098 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.914 7.259 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.856 7.873 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.538 7.507 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.795 6.382 6.787 1.00 0.00 H new ATOM 230 N GLN A 16 -8.816 2.493 7.900 1.00 0.00 N ATOM 231 CA GLN A 16 -7.941 1.306 8.113 1.00 0.00 C ATOM 232 C GLN A 16 -6.475 1.745 8.120 1.00 0.00 C ATOM 233 O GLN A 16 -5.794 1.651 7.120 1.00 0.00 O ATOM 234 CB GLN A 16 -8.223 0.386 6.924 1.00 0.00 C ATOM 235 CG GLN A 16 -9.396 -0.537 7.260 1.00 0.00 C ATOM 236 CD GLN A 16 -9.101 -1.948 6.748 1.00 0.00 C ATOM 237 OE1 GLN A 16 -8.487 -2.099 5.606 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -9.433 -2.922 7.393 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.845 2.844 6.943 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.134 0.806 9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.455 0.979 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.337 -0.205 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.559 -0.557 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.312 -0.158 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.913 -2.803 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.232 -3.859 7.042 1.00 0.00 H new ATOM 247 N PRO A 17 -6.045 2.221 9.257 1.00 0.00 N ATOM 248 CA PRO A 17 -4.647 2.698 9.408 1.00 0.00 C ATOM 249 C PRO A 17 -3.658 1.536 9.299 1.00 0.00 C ATOM 250 O PRO A 17 -3.897 0.451 9.792 1.00 0.00 O ATOM 251 CB PRO A 17 -4.629 3.313 10.807 1.00 0.00 C ATOM 252 CG PRO A 17 -5.746 2.636 11.531 1.00 0.00 C ATOM 253 CD PRO A 17 -6.808 2.356 10.502 1.00 0.00 C ATOM 0 HA PRO A 17 -4.352 3.406 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.674 3.142 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.779 4.392 10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.404 1.712 11.998 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.134 3.271 12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.363 1.447 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.534 3.167 10.443 1.00 0.00 H new ATOM 261 N VAL A 18 -2.551 1.759 8.647 1.00 0.00 N ATOM 262 CA VAL A 18 -1.540 0.681 8.486 1.00 0.00 C ATOM 263 C VAL A 18 -0.183 1.127 9.042 1.00 0.00 C ATOM 264 O VAL A 18 0.152 2.295 9.030 1.00 0.00 O ATOM 265 CB VAL A 18 -1.454 0.466 6.978 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.187 -0.317 6.649 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.677 -0.321 6.503 1.00 0.00 C ATOM 0 H VAL A 18 -2.303 2.650 8.216 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.812 -0.228 9.023 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.427 1.432 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.124 -0.471 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.685 0.243 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.215 -1.283 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.615 -0.474 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.706 -1.288 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.583 0.237 6.739 1.00 0.00 H new ATOM 277 N VAL A 19 0.602 0.203 9.525 1.00 0.00 N ATOM 278 CA VAL A 19 1.939 0.568 10.076 1.00 0.00 C ATOM 279 C VAL A 19 3.034 0.248 9.051 1.00 0.00 C ATOM 280 O VAL A 19 3.291 -0.901 8.750 1.00 0.00 O ATOM 281 CB VAL A 19 2.104 -0.310 11.316 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.567 -0.294 11.762 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.223 0.226 12.445 1.00 0.00 C ATOM 0 H VAL A 19 0.375 -0.791 9.562 1.00 0.00 H new ATOM 0 HA VAL A 19 2.016 1.630 10.310 1.00 0.00 H new ATOM 0 HB VAL A 19 1.807 -1.331 11.077 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.685 -0.920 12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.196 -0.678 10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.864 0.728 11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.342 -0.401 13.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.518 1.248 12.683 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.180 0.214 12.129 1.00 0.00 H new ATOM 293 N PHE A 20 3.688 1.245 8.517 1.00 0.00 N ATOM 294 CA PHE A 20 4.765 0.967 7.522 1.00 0.00 C ATOM 295 C PHE A 20 6.122 0.898 8.217 1.00 0.00 C ATOM 296 O PHE A 20 6.578 1.855 8.813 1.00 0.00 O ATOM 297 CB PHE A 20 4.748 2.134 6.532 1.00 0.00 C ATOM 298 CG PHE A 20 5.820 1.897 5.493 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.746 0.775 4.662 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.892 2.788 5.369 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.740 0.545 3.705 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.885 2.557 4.411 1.00 0.00 C ATOM 303 CZ PHE A 20 7.810 1.437 3.579 1.00 0.00 C ATOM 0 H PHE A 20 3.526 2.231 8.724 1.00 0.00 H new ATOM 0 HA PHE A 20 4.600 0.013 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.770 2.213 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.926 3.075 7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.921 0.085 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.953 3.653 6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.681 -0.322 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.711 3.246 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.577 1.260 2.840 1.00 0.00 H new ATOM 313 N ASN A 21 6.777 -0.225 8.142 1.00 0.00 N ATOM 314 CA ASN A 21 8.103 -0.357 8.787 1.00 0.00 C ATOM 315 C ASN A 21 9.202 -0.115 7.749 1.00 0.00 C ATOM 316 O ASN A 21 9.576 -1.006 7.013 1.00 0.00 O ATOM 317 CB ASN A 21 8.134 -1.800 9.274 1.00 0.00 C ATOM 318 CG ASN A 21 8.170 -1.835 10.803 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.809 -0.876 11.454 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.594 -2.912 11.408 1.00 0.00 N ATOM 0 H ASN A 21 6.446 -1.060 7.658 1.00 0.00 H new ATOM 0 HA ASN A 21 8.263 0.356 9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.256 -2.334 8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.008 -2.310 8.870 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.622 -2.947 12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.897 -3.718 10.861 1.00 0.00 H new ATOM 327 N HIS A 22 9.721 1.080 7.679 1.00 0.00 N ATOM 328 CA HIS A 22 10.790 1.358 6.678 1.00 0.00 C ATOM 329 C HIS A 22 11.863 0.271 6.764 1.00 0.00 C ATOM 330 O HIS A 22 12.463 -0.104 5.776 1.00 0.00 O ATOM 331 CB HIS A 22 11.373 2.713 7.077 1.00 0.00 C ATOM 332 CG HIS A 22 10.574 3.827 6.452 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.766 4.664 7.207 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.477 4.284 5.156 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.233 5.576 6.374 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.635 5.393 5.116 1.00 0.00 N ATOM 0 H HIS A 22 9.454 1.870 8.266 1.00 0.00 H new ATOM 0 HA HIS A 22 10.412 1.369 5.656 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.366 2.815 8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.413 2.778 6.758 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.605 4.600 8.212 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.977 3.850 4.303 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.561 6.361 6.686 1.00 0.00 H new ATOM 344 N SER A 23 12.101 -0.245 7.941 1.00 0.00 N ATOM 345 CA SER A 23 13.127 -1.316 8.093 1.00 0.00 C ATOM 346 C SER A 23 12.884 -2.414 7.055 1.00 0.00 C ATOM 347 O SER A 23 13.804 -2.915 6.439 1.00 0.00 O ATOM 348 CB SER A 23 12.924 -1.861 9.506 1.00 0.00 C ATOM 349 OG SER A 23 13.994 -1.426 10.335 1.00 0.00 O ATOM 0 H SER A 23 11.629 0.029 8.803 1.00 0.00 H new ATOM 0 HA SER A 23 14.142 -0.947 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.972 -1.514 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.884 -2.950 9.486 1.00 0.00 H new ATOM 0 HG SER A 23 13.653 -1.230 11.233 1.00 0.00 H new ATOM 355 N THR A 24 11.649 -2.782 6.852 1.00 0.00 N ATOM 356 CA THR A 24 11.341 -3.841 5.849 1.00 0.00 C ATOM 357 C THR A 24 11.414 -3.254 4.438 1.00 0.00 C ATOM 358 O THR A 24 11.167 -3.929 3.460 1.00 0.00 O ATOM 359 CB THR A 24 9.915 -4.293 6.168 1.00 0.00 C ATOM 360 OG1 THR A 24 9.465 -3.646 7.351 1.00 0.00 O ATOM 361 CG2 THR A 24 9.894 -5.808 6.377 1.00 0.00 C ATOM 0 H THR A 24 10.839 -2.395 7.337 1.00 0.00 H new ATOM 0 HA THR A 24 12.046 -4.671 5.891 1.00 0.00 H new ATOM 0 HB THR A 24 9.258 -4.031 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.143 -2.747 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.878 -6.130 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.238 -6.305 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.552 -6.070 7.206 1.00 0.00 H new ATOM 369 N HIS A 25 11.739 -1.995 4.330 1.00 0.00 N ATOM 370 CA HIS A 25 11.812 -1.358 2.995 1.00 0.00 C ATOM 371 C HIS A 25 13.175 -0.694 2.786 1.00 0.00 C ATOM 372 O HIS A 25 13.509 -0.280 1.694 1.00 0.00 O ATOM 373 CB HIS A 25 10.692 -0.332 3.030 1.00 0.00 C ATOM 374 CG HIS A 25 9.396 -1.060 3.232 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.890 -1.324 4.495 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.512 -1.625 2.348 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.753 -2.024 4.338 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.479 -2.236 3.050 1.00 0.00 N ATOM 0 H HIS A 25 11.957 -1.382 5.115 1.00 0.00 H new ATOM 0 HA HIS A 25 11.703 -2.066 2.173 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.856 0.383 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.668 0.236 2.100 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.305 -1.039 5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.604 -1.599 1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.137 -2.372 5.154 1.00 0.00 H new ATOM 386 N LYS A 26 13.969 -0.597 3.815 1.00 0.00 N ATOM 387 CA LYS A 26 15.311 0.031 3.654 1.00 0.00 C ATOM 388 C LYS A 26 16.018 -0.581 2.443 1.00 0.00 C ATOM 389 O LYS A 26 16.830 0.051 1.797 1.00 0.00 O ATOM 390 CB LYS A 26 16.066 -0.298 4.941 1.00 0.00 C ATOM 391 CG LYS A 26 15.327 0.309 6.135 1.00 0.00 C ATOM 392 CD LYS A 26 16.229 0.267 7.369 1.00 0.00 C ATOM 393 CE LYS A 26 15.762 1.318 8.379 1.00 0.00 C ATOM 394 NZ LYS A 26 16.964 1.617 9.206 1.00 0.00 N ATOM 0 H LYS A 26 13.749 -0.923 4.756 1.00 0.00 H new ATOM 0 HA LYS A 26 15.253 1.107 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.148 -1.378 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.081 0.095 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.042 1.338 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.407 -0.243 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.200 -0.725 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.264 0.457 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.396 2.213 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.944 0.940 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.723 2.331 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.286 0.748 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.723 1.982 8.596 1.00 0.00 H new ATOM 408 N ALA A 27 15.707 -1.810 2.131 1.00 0.00 N ATOM 409 CA ALA A 27 16.349 -2.472 0.960 1.00 0.00 C ATOM 410 C ALA A 27 15.577 -2.136 -0.317 1.00 0.00 C ATOM 411 O ALA A 27 15.960 -2.517 -1.406 1.00 0.00 O ATOM 412 CB ALA A 27 16.270 -3.969 1.259 1.00 0.00 C ATOM 0 H ALA A 27 15.034 -2.385 2.638 1.00 0.00 H new ATOM 0 HA ALA A 27 17.377 -2.143 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.724 -4.528 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.804 -4.184 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.226 -4.264 1.365 1.00 0.00 H new ATOM 418 N VAL A 28 14.496 -1.414 -0.193 1.00 0.00 N ATOM 419 CA VAL A 28 13.704 -1.043 -1.397 1.00 0.00 C ATOM 420 C VAL A 28 14.280 0.227 -2.007 1.00 0.00 C ATOM 421 O VAL A 28 15.198 0.819 -1.476 1.00 0.00 O ATOM 422 CB VAL A 28 12.283 -0.801 -0.885 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.455 -0.093 -1.957 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.631 -2.140 -0.540 1.00 0.00 C ATOM 0 H VAL A 28 14.128 -1.065 0.692 1.00 0.00 H new ATOM 0 HA VAL A 28 13.723 -1.814 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 28 12.326 -0.174 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.445 0.075 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.916 0.864 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.413 -0.713 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.618 -1.968 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.594 -2.767 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.215 -2.641 0.232 1.00 0.00 H new ATOM 434 N LYS A 29 13.752 0.659 -3.111 1.00 0.00 N ATOM 435 CA LYS A 29 14.286 1.897 -3.727 1.00 0.00 C ATOM 436 C LYS A 29 13.515 3.102 -3.220 1.00 0.00 C ATOM 437 O LYS A 29 12.390 3.350 -3.603 1.00 0.00 O ATOM 438 CB LYS A 29 14.089 1.742 -5.224 1.00 0.00 C ATOM 439 CG LYS A 29 15.453 1.720 -5.907 1.00 0.00 C ATOM 440 CD LYS A 29 16.048 0.312 -5.821 1.00 0.00 C ATOM 441 CE LYS A 29 17.480 0.395 -5.288 1.00 0.00 C ATOM 442 NZ LYS A 29 17.833 -1.005 -4.918 1.00 0.00 N ATOM 0 H LYS A 29 12.981 0.214 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 29 15.336 2.048 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.546 0.822 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.488 2.564 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.354 2.021 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.121 2.438 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.440 -0.312 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.041 -0.158 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.161 0.788 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.543 1.059 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.803 -1.031 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.172 -1.350 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.771 -1.613 -5.760 1.00 0.00 H new ATOM 456 N CYS A 30 14.121 3.852 -2.365 1.00 0.00 N ATOM 457 CA CYS A 30 13.443 5.064 -1.822 1.00 0.00 C ATOM 458 C CYS A 30 12.797 5.839 -2.971 1.00 0.00 C ATOM 459 O CYS A 30 11.851 6.580 -2.784 1.00 0.00 O ATOM 460 CB CYS A 30 14.551 5.892 -1.170 1.00 0.00 C ATOM 461 SG CYS A 30 14.963 5.186 0.444 1.00 0.00 S ATOM 0 H CYS A 30 15.063 3.686 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 30 12.658 4.820 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.434 5.905 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.226 6.926 -1.054 1.00 0.00 H new ATOM 466 N GLY A 31 13.302 5.666 -4.163 1.00 0.00 N ATOM 467 CA GLY A 31 12.722 6.382 -5.334 1.00 0.00 C ATOM 468 C GLY A 31 11.575 5.558 -5.920 1.00 0.00 C ATOM 469 O GLY A 31 10.790 6.042 -6.704 1.00 0.00 O ATOM 0 H GLY A 31 14.093 5.058 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.360 7.364 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.490 6.545 -6.090 1.00 0.00 H new ATOM 473 N ASP A 32 11.458 4.316 -5.537 1.00 0.00 N ATOM 474 CA ASP A 32 10.344 3.489 -6.072 1.00 0.00 C ATOM 475 C ASP A 32 9.067 3.837 -5.307 1.00 0.00 C ATOM 476 O ASP A 32 7.993 3.919 -5.870 1.00 0.00 O ATOM 477 CB ASP A 32 10.766 2.042 -5.829 1.00 0.00 C ATOM 478 CG ASP A 32 10.607 1.246 -7.125 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.647 1.495 -7.835 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.451 0.406 -7.386 1.00 0.00 O ATOM 0 H ASP A 32 12.081 3.843 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 32 10.146 3.659 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.801 2.005 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.157 1.601 -5.040 1.00 0.00 H new ATOM 485 N CYS A 33 9.189 4.084 -4.031 1.00 0.00 N ATOM 486 CA CYS A 33 7.997 4.476 -3.229 1.00 0.00 C ATOM 487 C CYS A 33 7.851 5.997 -3.309 1.00 0.00 C ATOM 488 O CYS A 33 6.831 6.516 -3.718 1.00 0.00 O ATOM 489 CB CYS A 33 8.309 4.035 -1.798 1.00 0.00 C ATOM 490 SG CYS A 33 7.826 2.305 -1.575 1.00 0.00 S ATOM 0 H CYS A 33 10.064 4.031 -3.510 1.00 0.00 H new ATOM 0 HA CYS A 33 7.069 4.024 -3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.373 4.155 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.775 4.666 -1.088 1.00 0.00 H new ATOM 495 N HIS A 34 8.887 6.711 -2.954 1.00 0.00 N ATOM 496 CA HIS A 34 8.840 8.197 -3.042 1.00 0.00 C ATOM 497 C HIS A 34 9.378 8.622 -4.409 1.00 0.00 C ATOM 498 O HIS A 34 10.205 9.505 -4.508 1.00 0.00 O ATOM 499 CB HIS A 34 9.776 8.704 -1.943 1.00 0.00 C ATOM 500 CG HIS A 34 9.193 8.428 -0.583 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.018 9.018 -0.141 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.634 7.651 0.458 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.799 8.594 1.117 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.756 7.760 1.528 1.00 0.00 N ATOM 0 H HIS A 34 9.765 6.326 -2.606 1.00 0.00 H new ATOM 0 HA HIS A 34 7.831 8.591 -2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.748 8.219 -2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.941 9.775 -2.064 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.427 9.657 -0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.529 7.046 0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.953 8.892 1.719 1.00 0.00 H new ATOM 512 N HIS A 35 8.934 7.979 -5.457 1.00 0.00 N ATOM 513 CA HIS A 35 9.433 8.322 -6.822 1.00 0.00 C ATOM 514 C HIS A 35 9.748 9.817 -6.926 1.00 0.00 C ATOM 515 O HIS A 35 9.255 10.617 -6.156 1.00 0.00 O ATOM 516 CB HIS A 35 8.307 7.927 -7.776 1.00 0.00 C ATOM 517 CG HIS A 35 6.991 8.369 -7.218 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.527 9.642 -7.430 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.025 7.726 -6.475 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.331 9.746 -6.834 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.970 8.605 -6.236 1.00 0.00 N ATOM 0 H HIS A 35 8.244 7.228 -5.426 1.00 0.00 H new ATOM 0 HA HIS A 35 10.360 7.799 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.469 8.382 -8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.305 6.847 -7.924 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.006 10.378 -7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.077 6.703 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.730 10.644 -6.836 1.00 0.00 H new ATOM 529 N PRO A 36 10.585 10.136 -7.876 1.00 0.00 N ATOM 530 CA PRO A 36 11.014 11.543 -8.087 1.00 0.00 C ATOM 531 C PRO A 36 9.849 12.424 -8.535 1.00 0.00 C ATOM 532 O PRO A 36 9.411 12.377 -9.668 1.00 0.00 O ATOM 533 CB PRO A 36 12.079 11.432 -9.177 1.00 0.00 C ATOM 534 CG PRO A 36 11.760 10.158 -9.888 1.00 0.00 C ATOM 535 CD PRO A 36 11.200 9.226 -8.849 1.00 0.00 C ATOM 0 HA PRO A 36 11.387 12.010 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.042 12.284 -9.855 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.082 11.407 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.039 10.328 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.653 9.736 -10.349 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.469 8.540 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.980 8.617 -8.393 1.00 0.00 H new ATOM 543 N VAL A 37 9.358 13.243 -7.646 1.00 0.00 N ATOM 544 CA VAL A 37 8.236 14.156 -7.996 1.00 0.00 C ATOM 545 C VAL A 37 8.755 15.592 -8.042 1.00 0.00 C ATOM 546 O VAL A 37 9.740 15.922 -7.414 1.00 0.00 O ATOM 547 CB VAL A 37 7.219 13.984 -6.869 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.003 14.874 -7.132 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.775 12.521 -6.803 1.00 0.00 C ATOM 0 H VAL A 37 9.690 13.319 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 37 7.795 13.935 -8.968 1.00 0.00 H new ATOM 0 HB VAL A 37 7.677 14.270 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.280 14.749 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.318 15.916 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.544 14.592 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.049 12.397 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.319 12.236 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.640 11.886 -6.612 1.00 0.00 H new ATOM 559 N ASN A 38 8.101 16.451 -8.767 1.00 0.00 N ATOM 560 CA ASN A 38 8.567 17.863 -8.829 1.00 0.00 C ATOM 561 C ASN A 38 10.068 17.920 -9.134 1.00 0.00 C ATOM 562 O ASN A 38 10.726 18.903 -8.854 1.00 0.00 O ATOM 563 CB ASN A 38 8.307 18.388 -7.427 1.00 0.00 C ATOM 564 CG ASN A 38 8.319 19.918 -7.433 1.00 0.00 C ATOM 565 OD1 ASN A 38 7.325 20.568 -6.892 1.00 0.00 O flip ATOM 566 ND2 ASN A 38 9.242 20.527 -7.935 1.00 0.00 N flip ATOM 0 H ASN A 38 7.268 16.240 -9.317 1.00 0.00 H new ATOM 0 HA ASN A 38 8.064 18.438 -9.606 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.345 18.025 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.067 18.012 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.019 20.018 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.241 21.547 -7.934 1.00 0.00 H new ATOM 573 N GLY A 39 10.623 16.875 -9.684 1.00 0.00 N ATOM 574 CA GLY A 39 12.079 16.881 -9.975 1.00 0.00 C ATOM 575 C GLY A 39 12.813 16.216 -8.813 1.00 0.00 C ATOM 576 O GLY A 39 13.989 15.924 -8.894 1.00 0.00 O ATOM 0 H GLY A 39 10.130 16.020 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.281 16.348 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.433 17.903 -10.110 1.00 0.00 H new ATOM 580 N LYS A 40 12.126 15.971 -7.725 1.00 0.00 N ATOM 581 CA LYS A 40 12.798 15.321 -6.559 1.00 0.00 C ATOM 582 C LYS A 40 11.845 14.341 -5.867 1.00 0.00 C ATOM 583 O LYS A 40 10.665 14.596 -5.735 1.00 0.00 O ATOM 584 CB LYS A 40 13.159 16.472 -5.618 1.00 0.00 C ATOM 585 CG LYS A 40 11.970 17.427 -5.494 1.00 0.00 C ATOM 586 CD LYS A 40 12.392 18.665 -4.701 1.00 0.00 C ATOM 587 CE LYS A 40 11.204 19.177 -3.883 1.00 0.00 C ATOM 588 NZ LYS A 40 11.705 20.404 -3.204 1.00 0.00 N ATOM 0 H LYS A 40 11.139 16.191 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 40 13.674 14.747 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.428 16.082 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.029 17.007 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.619 17.718 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.139 16.928 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.224 18.421 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.742 19.443 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.351 19.401 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.873 18.432 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.946 20.814 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.513 20.159 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.007 21.097 -3.918 1.00 0.00 H new ATOM 602 N GLU A 41 12.351 13.220 -5.423 1.00 0.00 N ATOM 603 CA GLU A 41 11.471 12.229 -4.738 1.00 0.00 C ATOM 604 C GLU A 41 10.921 12.819 -3.443 1.00 0.00 C ATOM 605 O GLU A 41 11.649 13.035 -2.494 1.00 0.00 O ATOM 606 CB GLU A 41 12.368 11.034 -4.413 1.00 0.00 C ATOM 607 CG GLU A 41 12.630 10.218 -5.680 1.00 0.00 C ATOM 608 CD GLU A 41 13.892 9.375 -5.491 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.368 9.301 -4.370 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.361 8.818 -6.470 1.00 0.00 O ATOM 0 H GLU A 41 13.331 12.949 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 41 10.623 11.949 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.312 11.381 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.894 10.407 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.777 9.573 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.748 10.883 -6.536 1.00 0.00 H new ATOM 617 N ASP A 42 9.645 13.069 -3.381 1.00 0.00 N ATOM 618 CA ASP A 42 9.079 13.627 -2.126 1.00 0.00 C ATOM 619 C ASP A 42 9.229 12.600 -1.009 1.00 0.00 C ATOM 620 O ASP A 42 8.476 11.651 -0.915 1.00 0.00 O ATOM 621 CB ASP A 42 7.607 13.885 -2.415 1.00 0.00 C ATOM 622 CG ASP A 42 7.461 15.167 -3.235 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.192 15.316 -4.199 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.620 15.979 -2.885 1.00 0.00 O ATOM 0 H ASP A 42 8.977 12.913 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 42 9.585 14.540 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.180 13.043 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.053 13.974 -1.481 1.00 0.00 H new ATOM 629 N TYR A 43 10.200 12.780 -0.169 1.00 0.00 N ATOM 630 CA TYR A 43 10.412 11.813 0.942 1.00 0.00 C ATOM 631 C TYR A 43 9.471 12.139 2.102 1.00 0.00 C ATOM 632 O TYR A 43 9.902 12.443 3.198 1.00 0.00 O ATOM 633 CB TYR A 43 11.869 12.004 1.364 1.00 0.00 C ATOM 634 CG TYR A 43 12.777 11.751 0.185 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.916 10.456 -0.330 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.483 12.814 -0.393 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.759 10.224 -1.423 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.327 12.581 -1.485 1.00 0.00 C ATOM 639 CZ TYR A 43 14.466 11.286 -2.000 1.00 0.00 C ATOM 640 OH TYR A 43 15.297 11.057 -3.077 1.00 0.00 O ATOM 0 H TYR A 43 10.861 13.557 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 43 10.209 10.785 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.019 13.016 1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.115 11.322 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.373 9.636 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.376 13.813 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.864 9.226 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.871 13.400 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 43 15.062 10.203 -3.496 1.00 0.00 H new ATOM 650 N GLN A 44 8.188 12.088 1.871 1.00 0.00 N ATOM 651 CA GLN A 44 7.223 12.406 2.963 1.00 0.00 C ATOM 652 C GLN A 44 6.050 11.426 2.945 1.00 0.00 C ATOM 653 O GLN A 44 5.959 10.566 2.094 1.00 0.00 O ATOM 654 CB GLN A 44 6.741 13.827 2.667 1.00 0.00 C ATOM 655 CG GLN A 44 6.145 13.882 1.259 1.00 0.00 C ATOM 656 CD GLN A 44 6.194 15.319 0.738 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.214 15.830 0.237 1.00 0.00 O ATOM 658 NE2 GLN A 44 7.305 15.998 0.836 1.00 0.00 N ATOM 0 H GLN A 44 7.766 11.841 0.976 1.00 0.00 H new ATOM 0 HA GLN A 44 7.681 12.327 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.994 14.129 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.571 14.528 2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.701 13.223 0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.115 13.525 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.129 15.569 1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.349 16.957 0.492 1.00 0.00 H new ATOM 667 N LYS A 45 5.156 11.548 3.884 1.00 0.00 N ATOM 668 CA LYS A 45 3.995 10.618 3.932 1.00 0.00 C ATOM 669 C LYS A 45 3.413 10.408 2.536 1.00 0.00 C ATOM 670 O LYS A 45 3.203 11.343 1.787 1.00 0.00 O ATOM 671 CB LYS A 45 2.969 11.293 4.840 1.00 0.00 C ATOM 672 CG LYS A 45 2.886 12.788 4.517 1.00 0.00 C ATOM 673 CD LYS A 45 1.879 13.456 5.454 1.00 0.00 C ATOM 674 CE LYS A 45 2.341 13.290 6.904 1.00 0.00 C ATOM 675 NZ LYS A 45 2.496 14.679 7.419 1.00 0.00 N ATOM 0 H LYS A 45 5.179 12.252 4.621 1.00 0.00 H new ATOM 0 HA LYS A 45 4.284 9.635 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.992 10.829 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.248 11.153 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.867 13.250 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.584 12.931 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.786 14.514 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.893 13.011 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.611 12.731 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.281 12.741 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.811 14.649 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.202 15.185 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.584 15.175 7.361 1.00 0.00 H new ATOM 689 N CYS A 46 3.148 9.183 2.186 1.00 0.00 N ATOM 690 CA CYS A 46 2.573 8.891 0.846 1.00 0.00 C ATOM 691 C CYS A 46 1.324 9.740 0.609 1.00 0.00 C ATOM 692 O CYS A 46 1.077 10.219 -0.480 1.00 0.00 O ATOM 693 CB CYS A 46 2.200 7.413 0.905 1.00 0.00 C ATOM 694 SG CYS A 46 3.701 6.415 1.069 1.00 0.00 S ATOM 0 H CYS A 46 3.306 8.365 2.775 1.00 0.00 H new ATOM 0 HA CYS A 46 3.269 9.115 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.535 7.229 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.658 7.128 0.003 1.00 0.00 H new ATOM 699 N ALA A 47 0.528 9.916 1.625 1.00 0.00 N ATOM 700 CA ALA A 47 -0.719 10.720 1.475 1.00 0.00 C ATOM 701 C ALA A 47 -0.574 12.084 2.150 1.00 0.00 C ATOM 702 O ALA A 47 -1.379 12.471 2.974 1.00 0.00 O ATOM 703 CB ALA A 47 -1.792 9.902 2.177 1.00 0.00 C ATOM 0 H ALA A 47 0.687 9.536 2.558 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.954 10.913 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.747 10.424 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.879 8.927 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.520 9.768 3.224 1.00 0.00 H new ATOM 709 N THR A 48 0.448 12.810 1.807 1.00 0.00 N ATOM 710 CA THR A 48 0.659 14.151 2.420 1.00 0.00 C ATOM 711 C THR A 48 -0.625 14.989 2.353 1.00 0.00 C ATOM 712 O THR A 48 -1.690 14.496 2.040 1.00 0.00 O ATOM 713 CB THR A 48 1.767 14.800 1.590 1.00 0.00 C ATOM 714 OG1 THR A 48 2.653 13.795 1.119 1.00 0.00 O ATOM 715 CG2 THR A 48 2.537 15.799 2.454 1.00 0.00 C ATOM 0 H THR A 48 1.153 12.532 1.124 1.00 0.00 H new ATOM 0 HA THR A 48 0.927 14.077 3.474 1.00 0.00 H new ATOM 0 HB THR A 48 1.327 15.323 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.853 13.952 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.326 16.261 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.856 16.570 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.979 15.280 3.304 1.00 0.00 H new ATOM 723 N ALA A 49 -0.524 16.255 2.652 1.00 0.00 N ATOM 724 CA ALA A 49 -1.730 17.139 2.618 1.00 0.00 C ATOM 725 C ALA A 49 -2.178 17.389 1.175 1.00 0.00 C ATOM 726 O ALA A 49 -3.223 17.958 0.928 1.00 0.00 O ATOM 727 CB ALA A 49 -1.278 18.445 3.271 1.00 0.00 C ATOM 0 H ALA A 49 0.344 16.719 2.920 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.579 16.691 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.108 19.151 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.952 18.247 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.451 18.869 2.702 1.00 0.00 H new ATOM 733 N GLY A 50 -1.400 16.962 0.222 1.00 0.00 N ATOM 734 CA GLY A 50 -1.777 17.164 -1.206 1.00 0.00 C ATOM 735 C GLY A 50 -1.230 15.990 -2.008 1.00 0.00 C ATOM 736 O GLY A 50 -1.080 16.048 -3.212 1.00 0.00 O ATOM 0 H GLY A 50 -0.514 16.479 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.860 17.224 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.369 18.103 -1.579 1.00 0.00 H new ATOM 740 N CYS A 51 -0.915 14.930 -1.325 1.00 0.00 N ATOM 741 CA CYS A 51 -0.355 13.731 -1.978 1.00 0.00 C ATOM 742 C CYS A 51 -1.464 12.675 -2.142 1.00 0.00 C ATOM 743 O CYS A 51 -2.546 12.985 -2.603 1.00 0.00 O ATOM 744 CB CYS A 51 0.723 13.322 -0.979 1.00 0.00 C ATOM 745 SG CYS A 51 2.349 13.792 -1.614 1.00 0.00 S ATOM 0 H CYS A 51 -1.027 14.848 -0.315 1.00 0.00 H new ATOM 0 HA CYS A 51 0.043 13.874 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.544 13.804 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.685 12.246 -0.808 1.00 0.00 H new ATOM 750 N HIS A 52 -1.233 11.444 -1.768 1.00 0.00 N ATOM 751 CA HIS A 52 -2.308 10.422 -1.913 1.00 0.00 C ATOM 752 C HIS A 52 -3.307 10.570 -0.764 1.00 0.00 C ATOM 753 O HIS A 52 -3.605 9.625 -0.060 1.00 0.00 O ATOM 754 CB HIS A 52 -1.599 9.069 -1.819 1.00 0.00 C ATOM 755 CG HIS A 52 -0.724 8.861 -3.013 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.257 8.676 -4.264 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.639 8.795 -3.165 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.237 8.509 -5.124 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.945 8.575 -4.503 1.00 0.00 N ATOM 0 H HIS A 52 -0.356 11.106 -1.373 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.855 10.527 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.001 9.026 -0.909 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.335 8.268 -1.755 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.249 8.667 -4.499 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.361 8.898 -2.369 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.358 8.342 -6.184 1.00 0.00 H new ATOM 767 N ASP A 53 -3.814 11.755 -0.555 1.00 0.00 N ATOM 768 CA ASP A 53 -4.774 11.966 0.564 1.00 0.00 C ATOM 769 C ASP A 53 -6.224 11.872 0.081 1.00 0.00 C ATOM 770 O ASP A 53 -7.129 12.358 0.730 1.00 0.00 O ATOM 771 CB ASP A 53 -4.474 13.373 1.079 1.00 0.00 C ATOM 772 CG ASP A 53 -4.737 14.392 -0.032 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.747 13.991 -1.185 1.00 0.00 O ATOM 774 OD2 ASP A 53 -4.923 15.554 0.288 1.00 0.00 O ATOM 0 H ASP A 53 -3.605 12.584 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.662 11.206 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.097 13.595 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.437 13.438 1.408 1.00 0.00 H new ATOM 779 N ASN A 54 -6.468 11.243 -1.037 1.00 0.00 N ATOM 780 CA ASN A 54 -7.875 11.124 -1.513 1.00 0.00 C ATOM 781 C ASN A 54 -8.565 9.982 -0.765 1.00 0.00 C ATOM 782 O ASN A 54 -8.379 8.823 -1.074 1.00 0.00 O ATOM 783 CB ASN A 54 -7.779 10.816 -3.006 1.00 0.00 C ATOM 784 CG ASN A 54 -8.497 11.908 -3.800 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.465 11.579 -4.608 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.174 13.074 -3.682 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.763 10.811 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.455 12.030 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.734 10.759 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.226 9.845 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.416 13.332 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.661 13.794 -4.215 1.00 0.00 H new ATOM 793 N MET A 55 -9.350 10.301 0.229 1.00 0.00 N ATOM 794 CA MET A 55 -10.037 9.235 1.008 1.00 0.00 C ATOM 795 C MET A 55 -11.272 8.730 0.257 1.00 0.00 C ATOM 796 O MET A 55 -12.180 8.175 0.843 1.00 0.00 O ATOM 797 CB MET A 55 -10.444 9.912 2.316 1.00 0.00 C ATOM 798 CG MET A 55 -9.213 10.553 2.961 1.00 0.00 C ATOM 799 SD MET A 55 -7.987 9.272 3.322 1.00 0.00 S ATOM 800 CE MET A 55 -6.873 9.626 1.941 1.00 0.00 C ATOM 0 H MET A 55 -9.544 11.255 0.534 1.00 0.00 H new ATOM 0 HA MET A 55 -9.398 8.368 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.204 10.669 2.125 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.885 9.182 2.994 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.787 11.301 2.293 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.497 11.069 3.878 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.990 8.861 1.174 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.114 10.602 1.520 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.843 9.629 2.296 1.00 0.00 H new ATOM 810 N ASP A 56 -11.308 8.904 -1.035 1.00 0.00 N ATOM 811 CA ASP A 56 -12.479 8.420 -1.815 1.00 0.00 C ATOM 812 C ASP A 56 -12.349 6.915 -2.047 1.00 0.00 C ATOM 813 O ASP A 56 -13.306 6.238 -2.368 1.00 0.00 O ATOM 814 CB ASP A 56 -12.416 9.179 -3.140 1.00 0.00 C ATOM 815 CG ASP A 56 -13.740 9.012 -3.889 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.766 8.947 -3.232 1.00 0.00 O ATOM 817 OD2 ASP A 56 -13.705 8.950 -5.108 1.00 0.00 O ATOM 0 H ASP A 56 -10.578 9.360 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.426 8.589 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.221 10.236 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.593 8.803 -3.747 1.00 0.00 H new ATOM 822 N LYS A 57 -11.165 6.387 -1.883 1.00 0.00 N ATOM 823 CA LYS A 57 -10.967 4.925 -2.088 1.00 0.00 C ATOM 824 C LYS A 57 -11.377 4.535 -3.511 1.00 0.00 C ATOM 825 O LYS A 57 -11.570 3.376 -3.818 1.00 0.00 O ATOM 826 CB LYS A 57 -11.877 4.259 -1.059 1.00 0.00 C ATOM 827 CG LYS A 57 -11.574 4.823 0.329 1.00 0.00 C ATOM 828 CD LYS A 57 -12.844 5.437 0.921 1.00 0.00 C ATOM 829 CE LYS A 57 -13.849 4.326 1.236 1.00 0.00 C ATOM 830 NZ LYS A 57 -15.126 4.777 0.616 1.00 0.00 N ATOM 0 H LYS A 57 -10.328 6.905 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.927 4.622 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.922 4.434 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.724 3.180 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.202 4.032 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.790 5.577 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.604 5.992 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.279 6.147 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.525 3.371 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.960 4.187 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.866 4.067 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.413 5.685 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.992 4.895 -0.409 1.00 0.00 H new ATOM 844 N LYS A 58 -11.514 5.500 -4.379 1.00 0.00 N ATOM 845 CA LYS A 58 -11.914 5.191 -5.783 1.00 0.00 C ATOM 846 C LYS A 58 -11.006 5.927 -6.776 1.00 0.00 C ATOM 847 O LYS A 58 -10.922 5.568 -7.934 1.00 0.00 O ATOM 848 CB LYS A 58 -13.353 5.691 -5.901 1.00 0.00 C ATOM 849 CG LYS A 58 -14.205 5.068 -4.793 1.00 0.00 C ATOM 850 CD LYS A 58 -15.416 4.368 -5.411 1.00 0.00 C ATOM 851 CE LYS A 58 -15.328 2.863 -5.147 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.698 2.346 -5.414 1.00 0.00 N ATOM 0 H LYS A 58 -11.366 6.489 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.828 4.128 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.378 6.778 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.761 5.430 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.612 4.354 -4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.534 5.839 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.336 4.769 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.451 4.558 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.593 2.390 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.022 2.659 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.719 1.319 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.375 2.809 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.959 2.548 -6.400 1.00 0.00 H new ATOM 866 N ASP A 59 -10.328 6.954 -6.337 1.00 0.00 N ATOM 867 CA ASP A 59 -9.433 7.705 -7.266 1.00 0.00 C ATOM 868 C ASP A 59 -8.412 6.757 -7.901 1.00 0.00 C ATOM 869 O ASP A 59 -7.473 6.324 -7.265 1.00 0.00 O ATOM 870 CB ASP A 59 -8.729 8.742 -6.390 1.00 0.00 C ATOM 871 CG ASP A 59 -7.527 9.318 -7.141 1.00 0.00 C ATOM 872 OD1 ASP A 59 -7.418 9.065 -8.329 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.735 10.003 -6.515 1.00 0.00 O ATOM 0 H ASP A 59 -10.355 7.304 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.985 8.170 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.422 9.541 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.402 8.283 -5.457 1.00 0.00 H new ATOM 878 N LYS A 60 -8.588 6.435 -9.154 1.00 0.00 N ATOM 879 CA LYS A 60 -7.626 5.519 -9.830 1.00 0.00 C ATOM 880 C LYS A 60 -6.488 6.326 -10.463 1.00 0.00 C ATOM 881 O LYS A 60 -5.818 5.868 -11.366 1.00 0.00 O ATOM 882 CB LYS A 60 -8.446 4.810 -10.909 1.00 0.00 C ATOM 883 CG LYS A 60 -8.578 3.327 -10.559 1.00 0.00 C ATOM 884 CD LYS A 60 -7.308 2.587 -10.980 1.00 0.00 C ATOM 885 CE LYS A 60 -7.594 1.749 -12.228 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.504 2.096 -13.182 1.00 0.00 N ATOM 0 H LYS A 60 -9.356 6.766 -9.738 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.169 4.813 -9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.433 5.265 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.964 4.924 -11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.742 3.209 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.445 2.899 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.509 3.300 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.963 1.945 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.592 0.684 -11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.573 1.983 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.631 1.560 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.534 3.115 -13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.584 1.856 -12.761 1.00 0.00 H new ATOM 900 N SER A 61 -6.269 7.524 -9.996 1.00 0.00 N ATOM 901 CA SER A 61 -5.178 8.362 -10.570 1.00 0.00 C ATOM 902 C SER A 61 -3.923 8.274 -9.696 1.00 0.00 C ATOM 903 O SER A 61 -3.726 7.320 -8.969 1.00 0.00 O ATOM 904 CB SER A 61 -5.730 9.787 -10.571 1.00 0.00 C ATOM 905 OG SER A 61 -5.674 10.311 -11.891 1.00 0.00 O ATOM 0 H SER A 61 -6.799 7.960 -9.241 1.00 0.00 H new ATOM 0 HA SER A 61 -4.891 8.035 -11.569 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.758 9.791 -10.209 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.151 10.414 -9.893 1.00 0.00 H new ATOM 0 HG SER A 61 -6.029 11.224 -11.896 1.00 0.00 H new ATOM 911 N ALA A 62 -3.073 9.261 -9.764 1.00 0.00 N ATOM 912 CA ALA A 62 -1.830 9.235 -8.940 1.00 0.00 C ATOM 913 C ALA A 62 -2.002 10.107 -7.691 1.00 0.00 C ATOM 914 O ALA A 62 -1.049 10.645 -7.163 1.00 0.00 O ATOM 915 CB ALA A 62 -0.747 9.815 -9.850 1.00 0.00 C ATOM 0 H ALA A 62 -3.185 10.085 -10.355 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.583 8.231 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.204 9.832 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.653 9.197 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.019 10.830 -10.138 1.00 0.00 H new ATOM 921 N LYS A 63 -3.211 10.257 -7.219 1.00 0.00 N ATOM 922 CA LYS A 63 -3.439 11.101 -6.010 1.00 0.00 C ATOM 923 C LYS A 63 -4.389 10.397 -5.038 1.00 0.00 C ATOM 924 O LYS A 63 -4.776 10.948 -4.027 1.00 0.00 O ATOM 925 CB LYS A 63 -4.090 12.375 -6.545 1.00 0.00 C ATOM 926 CG LYS A 63 -3.549 13.587 -5.785 1.00 0.00 C ATOM 927 CD LYS A 63 -3.375 14.760 -6.752 1.00 0.00 C ATOM 928 CE LYS A 63 -2.686 15.920 -6.030 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.471 16.954 -7.080 1.00 0.00 N ATOM 0 H LYS A 63 -4.049 9.833 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.515 11.299 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.885 12.480 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.173 12.317 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.234 13.862 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.595 13.341 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.782 14.450 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.346 15.079 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.305 16.304 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.741 15.604 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.002 17.782 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.873 16.563 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.388 17.240 -7.478 1.00 0.00 H new ATOM 943 N GLY A 64 -4.777 9.188 -5.337 1.00 0.00 N ATOM 944 CA GLY A 64 -5.711 8.466 -4.429 1.00 0.00 C ATOM 945 C GLY A 64 -4.950 7.423 -3.614 1.00 0.00 C ATOM 946 O GLY A 64 -4.248 6.587 -4.147 1.00 0.00 O ATOM 0 H GLY A 64 -4.489 8.671 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.201 9.174 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.495 7.982 -5.011 1.00 0.00 H new ATOM 950 N TYR A 65 -5.098 7.460 -2.318 1.00 0.00 N ATOM 951 CA TYR A 65 -4.399 6.467 -1.456 1.00 0.00 C ATOM 952 C TYR A 65 -4.701 5.051 -1.956 1.00 0.00 C ATOM 953 O TYR A 65 -3.827 4.332 -2.394 1.00 0.00 O ATOM 954 CB TYR A 65 -4.992 6.691 -0.062 1.00 0.00 C ATOM 955 CG TYR A 65 -3.904 6.624 0.987 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.617 7.096 0.701 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.187 6.096 2.252 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.616 7.036 1.676 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.185 6.039 3.229 1.00 0.00 C ATOM 960 CZ TYR A 65 -1.899 6.509 2.940 1.00 0.00 C ATOM 961 OH TYR A 65 -0.911 6.453 3.902 1.00 0.00 O ATOM 0 H TYR A 65 -5.674 8.137 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.315 6.582 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.487 7.661 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.752 5.937 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.397 7.507 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.179 5.732 2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.623 7.397 1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.405 5.632 4.205 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.107 7.101 4.611 1.00 0.00 H new ATOM 971 N TYR A 66 -5.941 4.655 -1.892 1.00 0.00 N ATOM 972 CA TYR A 66 -6.330 3.294 -2.355 1.00 0.00 C ATOM 973 C TYR A 66 -5.583 2.895 -3.631 1.00 0.00 C ATOM 974 O TYR A 66 -4.776 1.985 -3.629 1.00 0.00 O ATOM 975 CB TYR A 66 -7.822 3.414 -2.645 1.00 0.00 C ATOM 976 CG TYR A 66 -8.504 2.105 -2.347 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.534 1.094 -3.313 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.110 1.908 -1.105 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.174 -0.120 -3.034 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.749 0.695 -0.825 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.781 -0.319 -1.789 1.00 0.00 C ATOM 982 OH TYR A 66 -10.413 -1.515 -1.513 1.00 0.00 O ATOM 0 H TYR A 66 -6.710 5.222 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.091 2.532 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.257 4.208 -2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.979 3.687 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.064 1.249 -4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.086 2.691 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.199 -0.902 -3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.218 0.541 0.136 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.345 -2.108 -2.290 1.00 0.00 H new ATOM 992 N HIS A 67 -5.868 3.545 -4.722 1.00 0.00 N ATOM 993 CA HIS A 67 -5.203 3.181 -6.004 1.00 0.00 C ATOM 994 C HIS A 67 -3.725 2.841 -5.794 1.00 0.00 C ATOM 995 O HIS A 67 -3.342 1.688 -5.752 1.00 0.00 O ATOM 996 CB HIS A 67 -5.333 4.417 -6.891 1.00 0.00 C ATOM 997 CG HIS A 67 -4.484 4.217 -8.111 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.770 3.238 -9.047 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.331 4.823 -8.541 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.806 3.275 -9.980 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -2.903 4.226 -9.724 1.00 0.00 N ATOM 0 H HIS A 67 -6.534 4.315 -4.783 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.663 2.298 -6.447 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.374 4.572 -7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.014 5.308 -6.349 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.569 2.604 -9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.832 5.638 -8.039 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.765 2.616 -10.834 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.893 3.836 -5.687 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.433 3.579 -5.508 1.00 0.00 C ATOM 1011 C ALA A 68 -1.187 2.515 -4.431 1.00 0.00 C ATOM 1012 O ALA A 68 -0.155 1.880 -4.404 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.849 4.921 -5.068 1.00 0.00 C ATOM 0 H ALA A 68 -3.159 4.820 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.975 3.204 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.225 4.818 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.035 5.669 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.320 5.235 -4.137 1.00 0.00 H new ATOM 1019 N MET A 69 -2.108 2.333 -3.526 1.00 0.00 N ATOM 1020 CA MET A 69 -1.892 1.328 -2.445 1.00 0.00 C ATOM 1021 C MET A 69 -2.386 -0.067 -2.843 1.00 0.00 C ATOM 1022 O MET A 69 -1.842 -1.063 -2.410 1.00 0.00 O ATOM 1023 CB MET A 69 -2.698 1.860 -1.268 1.00 0.00 C ATOM 1024 CG MET A 69 -2.116 3.202 -0.828 1.00 0.00 C ATOM 1025 SD MET A 69 -1.169 2.984 0.699 1.00 0.00 S ATOM 1026 CE MET A 69 0.257 3.990 0.221 1.00 0.00 C ATOM 0 H MET A 69 -2.996 2.833 -3.487 1.00 0.00 H new ATOM 0 HA MET A 69 -0.832 1.208 -2.220 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.744 1.979 -1.552 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.671 1.149 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.474 3.605 -1.611 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.918 3.923 -0.670 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.064 3.842 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.595 3.693 -0.772 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.028 5.042 0.207 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.413 -0.165 -3.640 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.913 -1.518 -4.017 1.00 0.00 C ATOM 1038 C HIS A 70 -3.694 -1.792 -5.508 1.00 0.00 C ATOM 1039 O HIS A 70 -3.885 -2.898 -5.975 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.404 -1.489 -3.686 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.586 -1.066 -2.254 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.859 0.245 -1.900 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.530 -1.769 -1.077 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.955 0.293 -0.559 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.764 -0.908 -0.009 1.00 0.00 N ATOM 0 H HIS A 70 -3.923 0.621 -4.043 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.386 -2.309 -3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.923 -0.798 -4.350 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.843 -2.474 -3.845 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.968 1.032 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.334 -2.828 -0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.161 1.192 0.003 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.299 -0.803 -6.260 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.076 -1.028 -7.718 1.00 0.00 C ATOM 1055 C ASP A 71 -1.655 -1.533 -7.978 1.00 0.00 C ATOM 1056 O ASP A 71 -0.751 -1.300 -7.202 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.293 0.340 -8.359 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.792 0.630 -8.421 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.436 0.539 -7.389 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.272 0.934 -9.501 1.00 0.00 O ATOM 0 H ASP A 71 -3.121 0.146 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.747 -1.784 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.784 1.111 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.865 0.358 -9.361 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.455 -2.225 -9.069 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.094 -2.749 -9.385 1.00 0.00 C ATOM 1067 C LYS A 72 0.481 -2.017 -10.599 1.00 0.00 C ATOM 1068 O LYS A 72 1.627 -1.614 -10.610 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.299 -4.232 -9.693 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.106 -4.383 -10.984 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.495 -5.851 -11.176 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.209 -6.019 -12.519 1.00 0.00 C ATOM 1073 NZ LYS A 72 -2.301 -7.491 -12.723 1.00 0.00 N ATOM 0 H LYS A 72 -2.176 -2.450 -9.755 1.00 0.00 H new ATOM 0 HA LYS A 72 0.608 -2.602 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.666 -4.729 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.821 -4.716 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.001 -3.762 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.519 -4.037 -11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.606 -6.481 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.145 -6.175 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.198 -5.560 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.651 -5.543 -13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.780 -7.687 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.345 -7.899 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.843 -7.916 -11.944 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.311 -1.833 -11.617 1.00 0.00 N ATOM 1088 CA GLY A 73 0.184 -1.118 -12.828 1.00 0.00 C ATOM 1089 C GLY A 73 0.197 0.382 -12.540 1.00 0.00 C ATOM 1090 O GLY A 73 -0.492 1.156 -13.176 1.00 0.00 O ATOM 0 H GLY A 73 -1.280 -2.147 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.185 -1.462 -13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.458 -1.333 -13.682 1.00 0.00 H new ATOM 1094 N THR A 74 0.966 0.795 -11.572 1.00 0.00 N ATOM 1095 CA THR A 74 1.019 2.241 -11.218 1.00 0.00 C ATOM 1096 C THR A 74 2.346 2.862 -11.662 1.00 0.00 C ATOM 1097 O THR A 74 3.317 2.170 -11.897 1.00 0.00 O ATOM 1098 CB THR A 74 0.914 2.262 -9.693 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.648 1.168 -9.160 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.551 2.145 -9.274 1.00 0.00 C ATOM 0 H THR A 74 1.563 0.190 -11.008 1.00 0.00 H new ATOM 0 HA THR A 74 0.229 2.812 -11.705 1.00 0.00 H new ATOM 0 HB THR A 74 1.321 3.199 -9.313 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.540 1.472 -8.892 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.621 2.160 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.115 2.982 -9.686 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.964 1.209 -9.651 1.00 0.00 H new ATOM 1108 N LYS A 75 2.396 4.164 -11.767 1.00 0.00 N ATOM 1109 CA LYS A 75 3.662 4.834 -12.181 1.00 0.00 C ATOM 1110 C LYS A 75 4.855 4.130 -11.528 1.00 0.00 C ATOM 1111 O LYS A 75 5.919 4.020 -12.103 1.00 0.00 O ATOM 1112 CB LYS A 75 3.538 6.268 -11.655 1.00 0.00 C ATOM 1113 CG LYS A 75 4.327 7.218 -12.558 1.00 0.00 C ATOM 1114 CD LYS A 75 3.887 7.026 -14.011 1.00 0.00 C ATOM 1115 CE LYS A 75 5.034 6.413 -14.816 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.583 7.539 -15.622 1.00 0.00 N ATOM 0 H LYS A 75 1.614 4.792 -11.584 1.00 0.00 H new ATOM 0 HA LYS A 75 3.818 4.807 -13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.490 6.565 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.914 6.325 -10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.161 8.250 -12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.395 7.024 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.012 6.378 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.596 7.983 -14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.795 5.989 -14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.679 5.605 -15.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.375 7.197 -16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.839 7.918 -16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.919 8.290 -14.986 1.00 0.00 H new ATOM 1130 N PHE A 76 4.675 3.650 -10.328 1.00 0.00 N ATOM 1131 CA PHE A 76 5.789 2.945 -9.624 1.00 0.00 C ATOM 1132 C PHE A 76 5.260 1.713 -8.901 1.00 0.00 C ATOM 1133 O PHE A 76 4.070 1.479 -8.849 1.00 0.00 O ATOM 1134 CB PHE A 76 6.308 3.945 -8.600 1.00 0.00 C ATOM 1135 CG PHE A 76 6.699 5.217 -9.300 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.911 5.297 -9.992 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.835 6.316 -9.264 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.258 6.482 -10.649 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.182 7.498 -9.918 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.391 7.581 -10.611 1.00 0.00 C ATOM 0 H PHE A 76 3.804 3.715 -9.802 1.00 0.00 H new ATOM 0 HA PHE A 76 6.562 2.616 -10.319 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.541 4.149 -7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.166 3.529 -8.071 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.577 4.447 -10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.899 6.249 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.193 6.549 -11.185 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.516 8.348 -9.888 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.658 8.496 -11.119 1.00 0.00 H new ATOM 1150 N LYS A 77 6.126 0.931 -8.314 1.00 0.00 N ATOM 1151 CA LYS A 77 5.627 -0.252 -7.578 1.00 0.00 C ATOM 1152 C LYS A 77 4.873 0.229 -6.345 1.00 0.00 C ATOM 1153 O LYS A 77 5.424 0.834 -5.447 1.00 0.00 O ATOM 1154 CB LYS A 77 6.846 -1.079 -7.199 1.00 0.00 C ATOM 1155 CG LYS A 77 7.817 -0.240 -6.369 1.00 0.00 C ATOM 1156 CD LYS A 77 9.129 -1.011 -6.205 1.00 0.00 C ATOM 1157 CE LYS A 77 9.659 -1.422 -7.582 1.00 0.00 C ATOM 1158 NZ LYS A 77 11.024 -1.960 -7.325 1.00 0.00 N ATOM 0 H LYS A 77 7.138 1.061 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 77 4.944 -0.858 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.537 -1.957 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.344 -1.440 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.001 0.716 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.385 -0.020 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.864 -0.392 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.969 -1.895 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.019 -2.174 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.692 -0.571 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.317 -2.559 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.694 -1.171 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.015 -2.526 -6.453 1.00 0.00 H new ATOM 1172 N SER A 78 3.606 -0.012 -6.333 1.00 0.00 N ATOM 1173 CA SER A 78 2.743 0.445 -5.206 1.00 0.00 C ATOM 1174 C SER A 78 2.867 -0.478 -3.991 1.00 0.00 C ATOM 1175 O SER A 78 3.610 -1.440 -3.996 1.00 0.00 O ATOM 1176 CB SER A 78 1.325 0.382 -5.769 1.00 0.00 C ATOM 1177 OG SER A 78 1.324 -0.419 -6.943 1.00 0.00 O ATOM 0 H SER A 78 3.112 -0.517 -7.069 1.00 0.00 H new ATOM 0 HA SER A 78 3.024 1.440 -4.860 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.645 -0.037 -5.028 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.967 1.386 -5.999 1.00 0.00 H new ATOM 0 HG SER A 78 0.514 -0.970 -6.962 1.00 0.00 H new ATOM 1183 N CYS A 79 2.130 -0.188 -2.953 1.00 0.00 N ATOM 1184 CA CYS A 79 2.181 -1.035 -1.730 1.00 0.00 C ATOM 1185 C CYS A 79 1.715 -2.452 -2.066 1.00 0.00 C ATOM 1186 O CYS A 79 2.492 -3.387 -2.074 1.00 0.00 O ATOM 1187 CB CYS A 79 1.217 -0.365 -0.752 1.00 0.00 C ATOM 1188 SG CYS A 79 1.862 1.267 -0.289 1.00 0.00 S ATOM 0 H CYS A 79 1.491 0.605 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 79 3.185 -1.119 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.232 -0.263 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.094 -0.985 0.136 1.00 0.00 H new ATOM 1193 N VAL A 80 0.456 -2.614 -2.361 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.056 -3.968 -2.717 1.00 0.00 C ATOM 1195 C VAL A 80 0.525 -4.390 -4.068 1.00 0.00 C ATOM 1196 O VAL A 80 0.647 -5.561 -4.367 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.572 -3.811 -2.807 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.172 -5.027 -3.517 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.165 -3.700 -1.396 1.00 0.00 C ATOM 0 H VAL A 80 -0.241 -1.869 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 80 0.223 -4.729 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.807 -2.908 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.254 -4.914 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.756 -5.104 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.934 -5.930 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.247 -3.588 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.928 -4.601 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.741 -2.832 -0.891 1.00 0.00 H new ATOM 1209 N GLY A 81 0.893 -3.436 -4.884 1.00 0.00 N ATOM 1210 CA GLY A 81 1.478 -3.770 -6.215 1.00 0.00 C ATOM 1211 C GLY A 81 2.875 -4.356 -6.014 1.00 0.00 C ATOM 1212 O GLY A 81 3.246 -5.332 -6.634 1.00 0.00 O ATOM 0 H GLY A 81 0.813 -2.439 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.842 -4.485 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.531 -2.877 -6.837 1.00 0.00 H new ATOM 1216 N CYS A 82 3.645 -3.779 -5.131 1.00 0.00 N ATOM 1217 CA CYS A 82 5.010 -4.319 -4.867 1.00 0.00 C ATOM 1218 C CYS A 82 4.874 -5.553 -3.988 1.00 0.00 C ATOM 1219 O CYS A 82 5.766 -6.371 -3.885 1.00 0.00 O ATOM 1220 CB CYS A 82 5.748 -3.208 -4.116 1.00 0.00 C ATOM 1221 SG CYS A 82 7.535 -3.441 -4.291 1.00 0.00 S ATOM 0 H CYS A 82 3.389 -2.959 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 82 5.542 -4.601 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.458 -2.234 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.471 -3.221 -3.062 1.00 0.00 H new ATOM 1226 N HIS A 83 3.744 -5.681 -3.356 1.00 0.00 N ATOM 1227 CA HIS A 83 3.498 -6.844 -2.471 1.00 0.00 C ATOM 1228 C HIS A 83 3.125 -8.069 -3.314 1.00 0.00 C ATOM 1229 O HIS A 83 3.775 -9.094 -3.251 1.00 0.00 O ATOM 1230 CB HIS A 83 2.340 -6.385 -1.586 1.00 0.00 C ATOM 1231 CG HIS A 83 2.899 -5.677 -0.384 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.197 -5.561 0.805 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.101 -5.047 -0.174 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.975 -4.888 1.670 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.145 -4.551 1.125 1.00 0.00 N ATOM 0 H HIS A 83 2.971 -5.018 -3.418 1.00 0.00 H new ATOM 0 HA HIS A 83 4.365 -7.141 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.680 -5.719 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.741 -7.241 -1.275 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.261 -5.921 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.891 -4.951 -0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.688 -4.649 2.683 1.00 0.00 H new ATOM 1243 N LEU A 84 2.099 -7.971 -4.118 1.00 0.00 N ATOM 1244 CA LEU A 84 1.713 -9.122 -4.973 1.00 0.00 C ATOM 1245 C LEU A 84 2.935 -9.625 -5.744 1.00 0.00 C ATOM 1246 O LEU A 84 3.053 -10.794 -6.049 1.00 0.00 O ATOM 1247 CB LEU A 84 0.672 -8.542 -5.925 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.577 -9.417 -5.903 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.787 -8.588 -6.338 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.394 -10.597 -6.859 1.00 0.00 C ATOM 0 H LEU A 84 1.514 -7.141 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 84 1.327 -9.970 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.421 -7.523 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.076 -8.491 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.738 -9.793 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.680 -9.212 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.919 -7.750 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.625 -8.211 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.287 -11.221 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.231 -10.224 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.467 -11.188 -6.547 1.00 0.00 H new ATOM 1262 N GLU A 85 3.850 -8.746 -6.055 1.00 0.00 N ATOM 1263 CA GLU A 85 5.070 -9.167 -6.799 1.00 0.00 C ATOM 1264 C GLU A 85 6.137 -9.655 -5.816 1.00 0.00 C ATOM 1265 O GLU A 85 6.688 -10.728 -5.965 1.00 0.00 O ATOM 1266 CB GLU A 85 5.546 -7.909 -7.528 1.00 0.00 C ATOM 1267 CG GLU A 85 4.717 -7.713 -8.800 1.00 0.00 C ATOM 1268 CD GLU A 85 5.386 -6.663 -9.688 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.263 -5.972 -9.196 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.010 -6.569 -10.845 1.00 0.00 O ATOM 0 H GLU A 85 3.804 -7.753 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 85 4.873 -9.985 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.446 -7.039 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.603 -7.999 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.628 -8.657 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.706 -7.397 -8.543 1.00 0.00 H new ATOM 1277 N THR A 86 6.428 -8.879 -4.806 1.00 0.00 N ATOM 1278 CA THR A 86 7.453 -9.307 -3.812 1.00 0.00 C ATOM 1279 C THR A 86 7.053 -10.655 -3.207 1.00 0.00 C ATOM 1280 O THR A 86 7.858 -11.346 -2.615 1.00 0.00 O ATOM 1281 CB THR A 86 7.459 -8.208 -2.744 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.270 -7.128 -3.186 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.018 -8.764 -1.432 1.00 0.00 C ATOM 0 H THR A 86 6.001 -7.970 -4.627 1.00 0.00 H new ATOM 0 HA THR A 86 8.440 -9.436 -4.256 1.00 0.00 H new ATOM 0 HB THR A 86 6.440 -7.858 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.705 -6.445 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.020 -7.979 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.396 -9.592 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.037 -9.117 -1.591 1.00 0.00 H new ATOM 1291 N ALA A 87 5.812 -11.034 -3.357 1.00 0.00 N ATOM 1292 CA ALA A 87 5.356 -12.338 -2.798 1.00 0.00 C ATOM 1293 C ALA A 87 5.517 -13.440 -3.847 1.00 0.00 C ATOM 1294 O ALA A 87 5.824 -14.572 -3.533 1.00 0.00 O ATOM 1295 CB ALA A 87 3.878 -12.130 -2.459 1.00 0.00 C ATOM 0 H ALA A 87 5.094 -10.496 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 87 5.933 -12.641 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.468 -13.049 -2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.782 -11.325 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.331 -11.868 -3.364 1.00 0.00 H new ATOM 1301 N GLY A 88 5.311 -13.111 -5.090 1.00 0.00 N ATOM 1302 CA GLY A 88 5.451 -14.129 -6.167 1.00 0.00 C ATOM 1303 C GLY A 88 4.480 -15.282 -5.911 1.00 0.00 C ATOM 1304 O GLY A 88 3.364 -15.081 -5.475 1.00 0.00 O ATOM 0 H GLY A 88 5.051 -12.177 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.247 -13.677 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.475 -14.502 -6.198 1.00 0.00 H new ATOM 1308 N ALA A 89 4.897 -16.487 -6.180 1.00 0.00 N ATOM 1309 CA ALA A 89 3.998 -17.655 -5.953 1.00 0.00 C ATOM 1310 C ALA A 89 4.101 -18.130 -4.505 1.00 0.00 C ATOM 1311 O ALA A 89 4.262 -19.303 -4.234 1.00 0.00 O ATOM 1312 CB ALA A 89 4.512 -18.733 -6.899 1.00 0.00 C ATOM 0 H ALA A 89 5.821 -16.715 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 89 2.951 -17.411 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.902 -19.630 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.454 -18.373 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.548 -18.968 -6.654 1.00 0.00 H new ATOM 1318 N ASP A 90 4.005 -17.229 -3.573 1.00 0.00 N ATOM 1319 CA ASP A 90 4.091 -17.622 -2.146 1.00 0.00 C ATOM 1320 C ASP A 90 2.784 -17.269 -1.445 1.00 0.00 C ATOM 1321 O ASP A 90 2.666 -16.258 -0.783 1.00 0.00 O ATOM 1322 CB ASP A 90 5.252 -16.811 -1.583 1.00 0.00 C ATOM 1323 CG ASP A 90 5.404 -17.101 -0.088 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.522 -17.738 0.465 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.398 -16.680 0.479 1.00 0.00 O ATOM 0 H ASP A 90 3.870 -16.232 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 90 4.251 -18.691 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.173 -17.063 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.076 -15.747 -1.741 1.00 0.00 H new ATOM 1330 N ALA A 91 1.801 -18.103 -1.604 1.00 0.00 N ATOM 1331 CA ALA A 91 0.475 -17.844 -0.968 1.00 0.00 C ATOM 1332 C ALA A 91 0.662 -17.252 0.431 1.00 0.00 C ATOM 1333 O ALA A 91 -0.181 -16.530 0.927 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.197 -19.215 -0.885 1.00 0.00 C ATOM 0 H ALA A 91 1.855 -18.962 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.122 -17.130 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.181 -19.111 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.305 -19.628 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.415 -19.884 -0.281 1.00 0.00 H new ATOM 1340 N ALA A 92 1.766 -17.533 1.063 1.00 0.00 N ATOM 1341 CA ALA A 92 2.012 -16.966 2.417 1.00 0.00 C ATOM 1342 C ALA A 92 2.417 -15.505 2.265 1.00 0.00 C ATOM 1343 O ALA A 92 1.992 -14.643 3.006 1.00 0.00 O ATOM 1344 CB ALA A 92 3.159 -17.792 3.000 1.00 0.00 C ATOM 0 H ALA A 92 2.509 -18.131 0.701 1.00 0.00 H new ATOM 0 HA ALA A 92 1.136 -17.005 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.396 -17.430 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.862 -18.839 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.037 -17.696 2.362 1.00 0.00 H new ATOM 1350 N LYS A 93 3.227 -15.227 1.285 1.00 0.00 N ATOM 1351 CA LYS A 93 3.660 -13.829 1.044 1.00 0.00 C ATOM 1352 C LYS A 93 2.526 -13.056 0.371 1.00 0.00 C ATOM 1353 O LYS A 93 2.444 -11.847 0.462 1.00 0.00 O ATOM 1354 CB LYS A 93 4.852 -13.962 0.105 1.00 0.00 C ATOM 1355 CG LYS A 93 6.144 -13.934 0.917 1.00 0.00 C ATOM 1356 CD LYS A 93 7.343 -13.823 -0.026 1.00 0.00 C ATOM 1357 CE LYS A 93 8.639 -13.889 0.785 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.709 -14.146 -0.219 1.00 0.00 N ATOM 0 H LYS A 93 3.610 -15.915 0.637 1.00 0.00 H new ATOM 0 HA LYS A 93 3.917 -13.293 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.783 -14.893 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.849 -13.150 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.133 -13.091 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.226 -14.838 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.319 -14.630 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.297 -12.886 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.817 -12.957 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.598 -14.683 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.629 -14.204 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.517 -15.043 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.729 -13.370 -0.912 1.00 0.00 H new ATOM 1372 N LYS A 94 1.646 -13.749 -0.298 1.00 0.00 N ATOM 1373 CA LYS A 94 0.510 -13.052 -0.967 1.00 0.00 C ATOM 1374 C LYS A 94 -0.540 -12.663 0.075 1.00 0.00 C ATOM 1375 O LYS A 94 -1.273 -11.708 -0.090 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.057 -14.067 -1.958 1.00 0.00 C ATOM 1377 CG LYS A 94 0.142 -13.553 -3.386 1.00 0.00 C ATOM 1378 CD LYS A 94 -1.123 -13.814 -4.204 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.775 -14.671 -5.424 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.247 -16.041 -5.077 1.00 0.00 N ATOM 0 H LYS A 94 1.663 -14.763 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 94 0.819 -12.135 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.440 -15.029 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.117 -14.229 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.365 -12.486 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.995 -14.051 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.867 -14.321 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.563 -12.870 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.268 -14.299 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.297 -14.661 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.044 -16.688 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.755 -16.371 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.272 -16.021 -4.901 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.607 -13.393 1.155 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.599 -13.067 2.219 1.00 0.00 C ATOM 1396 C LYS A 95 -1.002 -12.033 3.176 1.00 0.00 C ATOM 1397 O LYS A 95 -1.707 -11.340 3.883 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.850 -14.391 2.942 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.699 -14.682 3.907 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.165 -14.441 5.345 1.00 0.00 C ATOM 1401 CE LYS A 95 -0.085 -13.670 6.108 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.186 -14.155 7.514 1.00 0.00 N ATOM 0 H LYS A 95 -0.017 -14.202 1.347 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.521 -12.644 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.792 -14.344 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.942 -15.200 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.364 -15.713 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.153 -14.042 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.099 -13.878 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.365 -15.392 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.905 -13.863 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.251 -12.594 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.524 -13.671 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.136 -13.952 7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.016 -15.181 7.540 1.00 0.00 H new ATOM 1416 N GLU A 96 0.297 -11.925 3.194 1.00 0.00 N ATOM 1417 CA GLU A 96 0.961 -10.939 4.091 1.00 0.00 C ATOM 1418 C GLU A 96 1.200 -9.637 3.334 1.00 0.00 C ATOM 1419 O GLU A 96 0.974 -8.553 3.835 1.00 0.00 O ATOM 1420 CB GLU A 96 2.289 -11.597 4.462 1.00 0.00 C ATOM 1421 CG GLU A 96 3.201 -11.649 3.247 1.00 0.00 C ATOM 1422 CD GLU A 96 4.569 -12.193 3.667 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.627 -13.340 4.082 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.535 -11.455 3.567 1.00 0.00 O ATOM 0 H GLU A 96 0.932 -12.482 2.622 1.00 0.00 H new ATOM 0 HA GLU A 96 0.365 -10.694 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.770 -11.037 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.112 -12.605 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.764 -12.285 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.309 -10.654 2.816 1.00 0.00 H new ATOM 1431 N LEU A 97 1.658 -9.749 2.126 1.00 0.00 N ATOM 1432 CA LEU A 97 1.927 -8.538 1.301 1.00 0.00 C ATOM 1433 C LEU A 97 0.627 -7.986 0.717 1.00 0.00 C ATOM 1434 O LEU A 97 0.228 -6.876 1.009 1.00 0.00 O ATOM 1435 CB LEU A 97 2.846 -9.032 0.190 1.00 0.00 C ATOM 1436 CG LEU A 97 4.112 -9.621 0.810 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.177 -9.759 -0.268 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.625 -8.691 1.914 1.00 0.00 C ATOM 0 H LEU A 97 1.861 -10.636 1.666 1.00 0.00 H new ATOM 0 HA LEU A 97 2.373 -7.730 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.337 -9.785 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.102 -8.210 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 97 3.889 -10.599 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.084 -10.179 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.814 -10.419 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.398 -8.778 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.528 -9.113 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.851 -7.713 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.861 -8.584 2.684 1.00 0.00 H new ATOM 1450 N THR A 98 -0.035 -8.739 -0.109 1.00 0.00 N ATOM 1451 CA THR A 98 -1.303 -8.236 -0.712 1.00 0.00 C ATOM 1452 C THR A 98 -2.507 -8.636 0.131 1.00 0.00 C ATOM 1453 O THR A 98 -3.566 -8.048 0.032 1.00 0.00 O ATOM 1454 CB THR A 98 -1.380 -8.894 -2.084 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.212 -10.298 -1.946 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.278 -8.329 -2.978 1.00 0.00 C ATOM 0 H THR A 98 0.242 -9.678 -0.395 1.00 0.00 H new ATOM 0 HA THR A 98 -1.313 -7.148 -0.772 1.00 0.00 H new ATOM 0 HB THR A 98 -2.352 -8.691 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.519 -10.579 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.330 -8.798 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.410 -7.252 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.694 -8.533 -2.530 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.364 -9.623 0.962 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.512 -10.035 1.802 1.00 0.00 C ATOM 1466 C GLY A 99 -4.130 -8.792 2.431 1.00 0.00 C ATOM 1467 O GLY A 99 -3.461 -8.000 3.058 1.00 0.00 O ATOM 0 H GLY A 99 -1.507 -10.159 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.252 -10.561 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.183 -10.727 2.577 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.401 -8.605 2.267 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.041 -7.406 2.873 1.00 0.00 C ATOM 1473 C CYS A 100 -6.284 -7.655 4.351 1.00 0.00 C ATOM 1474 O CYS A 100 -5.733 -6.999 5.200 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.386 -7.208 2.173 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.433 -8.079 0.579 1.00 0.00 S ATOM 0 H CYS A 100 -6.024 -9.221 1.745 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.404 -6.528 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.189 -7.573 2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.563 -6.144 2.014 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.114 -8.599 4.663 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.395 -8.881 6.095 1.00 0.00 C ATOM 1483 C LYS A 101 -6.572 -10.080 6.576 1.00 0.00 C ATOM 1484 O LYS A 101 -6.775 -11.197 6.144 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.890 -9.193 6.156 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.671 -8.092 5.436 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.129 -8.525 5.273 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.738 -7.822 4.058 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.000 -8.562 3.778 1.00 0.00 N ATOM 0 H LYS A 101 -7.611 -9.188 3.994 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.130 -8.041 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.090 -10.159 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.215 -9.265 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.618 -7.163 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.227 -7.895 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.186 -9.606 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.695 -8.278 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.935 -6.771 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.063 -7.855 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.476 -8.138 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.781 -9.558 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.626 -8.507 4.607 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.646 -9.856 7.469 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.814 -10.982 7.978 1.00 0.00 C ATOM 1505 C GLY A 102 -3.386 -10.847 7.448 1.00 0.00 C ATOM 1506 O GLY A 102 -2.503 -11.596 7.818 1.00 0.00 O ATOM 0 H GLY A 102 -5.430 -8.942 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.810 -10.980 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.241 -11.934 7.663 1.00 0.00 H new ATOM 1510 N SER A 103 -3.150 -9.899 6.583 1.00 0.00 N ATOM 1511 CA SER A 103 -1.779 -9.718 6.030 1.00 0.00 C ATOM 1512 C SER A 103 -0.905 -8.934 7.008 1.00 0.00 C ATOM 1513 O SER A 103 -1.118 -8.950 8.204 1.00 0.00 O ATOM 1514 CB SER A 103 -1.975 -8.921 4.744 1.00 0.00 C ATOM 1515 OG SER A 103 -2.538 -7.655 5.064 1.00 0.00 O ATOM 0 H SER A 103 -3.848 -9.242 6.235 1.00 0.00 H new ATOM 0 HA SER A 103 -1.281 -10.672 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.021 -8.790 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.630 -9.463 4.062 1.00 0.00 H new ATOM 0 HG SER A 103 -3.016 -7.303 4.284 1.00 0.00 H new ATOM 1521 N LYS A 104 0.072 -8.240 6.499 1.00 0.00 N ATOM 1522 CA LYS A 104 0.966 -7.439 7.372 1.00 0.00 C ATOM 1523 C LYS A 104 0.558 -5.980 7.282 1.00 0.00 C ATOM 1524 O LYS A 104 0.782 -5.187 8.175 1.00 0.00 O ATOM 1525 CB LYS A 104 2.347 -7.620 6.762 1.00 0.00 C ATOM 1526 CG LYS A 104 2.768 -9.087 6.865 1.00 0.00 C ATOM 1527 CD LYS A 104 3.542 -9.308 8.167 1.00 0.00 C ATOM 1528 CE LYS A 104 4.306 -10.632 8.091 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.044 -10.722 9.381 1.00 0.00 N ATOM 0 H LYS A 104 0.290 -8.194 5.504 1.00 0.00 H new ATOM 0 HA LYS A 104 0.929 -7.741 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.338 -7.307 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.069 -6.987 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.889 -9.731 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.388 -9.359 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.237 -8.485 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.855 -9.321 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.626 -11.474 7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.990 -10.645 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.593 -11.605 9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.688 -9.911 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.366 -10.714 10.170 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.024 -5.631 6.177 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.446 -4.232 5.947 1.00 0.00 C ATOM 1545 C CYS A 105 -1.770 -3.937 6.664 1.00 0.00 C ATOM 1546 O CYS A 105 -2.063 -2.807 7.001 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.614 -4.160 4.434 1.00 0.00 C ATOM 1548 SG CYS A 105 0.147 -2.638 3.812 1.00 0.00 S ATOM 0 H CYS A 105 -0.229 -6.270 5.409 1.00 0.00 H new ATOM 0 HA CYS A 105 0.266 -3.501 6.330 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.152 -5.028 3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.672 -4.183 4.174 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.571 -4.940 6.900 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.872 -4.708 7.596 1.00 0.00 C ATOM 1555 C HIS A 106 -3.940 -5.538 8.880 1.00 0.00 C ATOM 1556 O HIS A 106 -4.740 -6.443 9.005 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.939 -5.171 6.604 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.316 -4.032 5.696 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.316 -2.718 6.137 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.657 -3.984 4.361 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.636 -1.937 5.091 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.845 -2.651 3.981 1.00 0.00 N ATOM 0 H HIS A 106 -2.383 -5.909 6.642 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.006 -3.665 7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.564 -6.009 6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.818 -5.527 7.141 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.110 -2.401 7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.762 -4.840 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.715 -0.861 5.142 1.00 0.00 H new ATOM 1570 N SER A 107 -3.105 -5.237 9.837 1.00 0.00 N ATOM 1571 CA SER A 107 -3.123 -6.010 11.113 1.00 0.00 C ATOM 1572 C SER A 107 -4.092 -5.367 12.108 1.00 0.00 C ATOM 1573 O SER A 107 -4.703 -6.100 12.868 1.00 0.00 O ATOM 1574 CB SER A 107 -1.690 -5.939 11.638 1.00 0.00 C ATOM 1575 OG SER A 107 -1.090 -7.224 11.542 1.00 0.00 O ATOM 1576 OXT SER A 107 -4.207 -4.153 12.093 1.00 0.00 O ATOM 0 H SER A 107 -2.412 -4.490 9.791 1.00 0.00 H new ATOM 0 HA SER A 107 -3.454 -7.038 10.968 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.115 -5.213 11.063 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.686 -5.600 12.674 1.00 0.00 H new ATOM 0 HG SER A 107 -0.170 -7.181 11.877 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.199 6.596 3.325 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.677 8.058 5.041 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.297 9.014 4.403 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.741 5.112 1.666 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.081 4.259 2.215 1.00 0.00 C HETATM 1588 NA HEC A 201 9.020 8.174 4.432 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.909 8.600 5.124 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.187 9.689 5.995 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.464 10.006 5.803 1.00 0.00 C HETATM 1592 C4A HEC A 201 9.989 9.077 4.814 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.174 11.046 6.640 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.256 10.274 7.045 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.297 11.280 6.413 1.00 0.00 C HETATM 1596 CGA HEC A 201 6.368 12.604 7.175 1.00 0.00 C HETATM 1597 O1A HEC A 201 6.024 13.620 6.594 1.00 0.00 O HETATM 1598 O2A HEC A 201 6.767 12.580 8.329 1.00 0.00 O HETATM 1599 NB HEC A 201 11.088 6.962 3.106 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.818 8.014 3.619 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.207 7.933 3.231 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.330 6.836 2.463 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.019 6.244 2.384 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.328 8.875 3.634 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.602 6.313 1.814 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.618 5.795 2.835 1.00 0.00 C HETATM 1607 NC HEC A 201 9.386 5.013 2.227 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.512 4.526 1.602 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.220 3.363 0.800 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.899 3.160 0.930 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.394 4.164 1.825 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.202 2.543 -0.022 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.034 2.144 0.219 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.499 0.699 0.392 1.00 0.00 C HETATM 1615 ND HEC A 201 7.307 6.246 3.567 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.572 5.203 3.070 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.208 5.246 3.566 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.098 6.374 4.285 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.394 6.961 4.302 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.144 4.175 3.443 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.871 6.971 4.953 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.228 5.966 5.909 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.272 6.699 6.853 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.081 6.220 7.958 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.748 7.725 6.453 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.951 3.973 2.389 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.488 3.262 3.930 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.226 4.517 3.921 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.667 3.180 -0.774 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.971 2.133 0.633 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.672 1.727 -0.514 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.095 9.884 3.295 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.433 8.872 4.719 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.262 8.546 3.178 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.670 12.006 6.532 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.157 10.744 7.687 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.207 11.139 6.306 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.687 5.206 5.345 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 3.998 5.450 6.483 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.509 0.592 -0.003 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.494 0.439 1.451 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.826 0.033 -0.148 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.897 6.602 3.512 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.176 4.979 3.406 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.505 5.435 2.315 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.556 11.437 5.366 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.279 10.891 6.434 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.151 7.871 5.500 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.148 7.271 4.194 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.690 9.474 7.523 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.840 10.761 7.826 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.385 3.523 1.812 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.556 4.649 1.109 1.00 0.00 H new HETATM 0 HHB HEC A 201 11.968 9.812 4.721 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.867 8.528 5.598 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.993 8.525 -5.324 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.862 8.059 -8.452 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.933 5.201 -4.887 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.262 8.906 -2.240 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.703 11.851 -5.699 1.00 0.00 C HETATM 1663 NA HEC A 202 2.494 7.009 -6.395 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.927 6.998 -7.632 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.370 5.729 -7.945 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.695 4.907 -6.957 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.423 5.696 -6.023 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.308 3.450 -6.844 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.548 5.339 -9.139 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.531 6.360 -9.503 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.211 5.938 -10.807 1.00 0.00 C HETATM 1672 O1A HEC A 202 -0.779 4.955 -11.386 1.00 0.00 O HETATM 1673 O2A HEC A 202 -2.152 6.605 -11.204 1.00 0.00 O HETATM 1674 NB HEC A 202 3.565 7.333 -3.943 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.483 5.960 -3.921 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.891 5.398 -2.679 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.231 6.422 -1.902 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.049 7.631 -2.689 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.891 3.926 -2.303 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.648 6.245 -0.461 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.161 6.129 -0.292 1.00 0.00 C HETATM 1682 NC HEC A 202 3.435 10.048 -4.226 1.00 0.00 N HETATM 1683 C1C HEC A 202 4.000 10.042 -2.971 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.148 11.376 -2.462 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.602 12.195 -3.383 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.209 11.376 -4.501 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.808 11.782 -1.155 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.276 13.648 -3.155 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.527 14.490 -2.880 1.00 0.00 C HETATM 1690 ND HEC A 202 2.418 9.693 -6.762 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.354 11.065 -6.779 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.080 11.546 -8.126 1.00 0.00 C HETATM 1693 C3D HEC A 202 2.001 10.451 -8.910 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.125 9.331 -8.050 1.00 0.00 C HETATM 1695 CMD HEC A 202 1.914 12.978 -8.598 1.00 0.00 C HETATM 1696 CAD HEC A 202 2.004 10.332 -10.422 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.301 10.900 -10.997 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.042 11.454 -12.398 1.00 0.00 C HETATM 1699 O1D HEC A 202 2.246 10.865 -13.110 1.00 0.00 O HETATM 1700 O2D HEC A 202 3.644 12.460 -12.737 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.079 13.440 -8.071 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.827 13.537 -8.392 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.717 12.987 -9.670 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.284 11.313 -0.322 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.849 11.458 -1.157 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.765 12.866 -1.047 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.876 3.534 -2.369 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.538 3.376 -2.986 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.259 3.811 -1.283 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.222 3.362 -6.828 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.703 2.901 -7.699 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.719 3.035 -5.924 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.684 11.688 -10.348 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.064 10.122 -11.038 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 5.030 14.114 -1.989 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.203 14.426 -3.733 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.239 15.529 -2.722 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.525 5.267 -0.851 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.639 7.033 -0.668 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.401 6.004 0.764 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.267 6.429 -8.702 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.088 7.350 -9.615 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.897 9.287 -10.711 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.150 10.866 -10.837 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.209 5.201 -9.995 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 0.074 4.377 -8.944 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.570 12.928 -5.797 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.667 9.030 -1.235 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.901 4.122 -4.737 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.584 7.892 -9.493 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.865 -3.406 2.053 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.767 -6.006 4.000 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.650 -2.399 4.377 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.093 -0.702 0.194 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.204 -4.294 -0.223 1.00 0.00 C HETATM 1738 NA HEC A 203 5.327 -4.058 3.805 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.785 -5.169 4.474 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.067 -5.358 5.711 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.177 -4.360 5.805 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.350 -3.549 4.630 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.164 -4.173 6.920 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.226 -6.472 6.726 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.694 -6.870 6.886 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.973 -7.223 8.347 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.023 -7.498 9.061 1.00 0.00 O HETATM 1748 O2A HEC A 203 8.131 -7.212 8.729 1.00 0.00 O HETATM 1749 NB HEC A 203 4.702 -1.861 2.277 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.835 -1.594 3.302 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.117 -0.361 3.100 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.544 0.114 1.923 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.519 -0.809 1.426 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.065 0.249 4.011 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.989 1.264 1.127 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.952 2.452 1.011 1.00 0.00 C HETATM 1757 NC HEC A 203 6.466 -2.694 0.349 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.001 -1.584 -0.314 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.629 -1.422 -1.593 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.512 -2.430 -1.705 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.423 -3.202 -0.495 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.328 -0.329 -2.605 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.410 -2.707 -2.887 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.974 -1.389 -3.419 1.00 0.00 C HETATM 1765 ND HEC A 203 7.161 -4.862 1.896 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.091 -5.071 0.902 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.947 -6.192 1.210 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.510 -6.698 2.374 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.412 -5.866 2.799 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.161 -6.671 0.436 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.081 -7.906 3.098 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.659 -9.205 2.407 1.00 0.00 C HETATM 1773 CGD HEC A 203 9.474 -10.371 2.970 1.00 0.00 C HETATM 1774 O1D HEC A 203 9.710 -10.380 4.167 1.00 0.00 O HETATM 1775 O2D HEC A 203 9.848 -11.235 2.195 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.864 -6.939 -0.578 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.905 -5.876 0.398 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.587 -7.543 0.931 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.280 -0.386 -2.901 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.527 0.645 -2.158 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 6.961 -0.462 -3.483 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.229 -0.442 4.115 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.500 0.442 4.991 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.710 1.186 3.581 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.503 -5.039 6.960 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.685 -4.070 7.872 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.575 -3.276 6.730 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.595 -9.383 2.562 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 8.815 -9.124 1.331 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.154 -0.742 -3.730 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.548 -0.896 -2.635 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.622 -1.589 -4.272 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 4.186 2.829 2.007 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.870 2.130 0.520 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.485 3.243 0.424 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.922 -7.722 6.245 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.340 -6.051 6.569 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.169 -7.839 3.124 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.738 -7.911 4.132 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.827 -6.151 7.688 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.644 -7.339 6.413 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.969 -4.564 -0.951 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.807 0.146 -0.428 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.884 -2.108 5.096 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.056 -6.848 4.629 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.840 -1.746 2.007 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.578 1.236 3.401 1.00 0.00 C HETATM 1810 CHB HEC A 204 -9.077 -2.227 1.308 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.082 -4.846 0.945 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.554 -1.090 2.405 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.462 -0.777 2.382 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.604 0.435 3.018 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.965 0.869 3.072 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.687 -0.078 2.443 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.747 -1.100 2.020 1.00 0.00 C HETATM 1818 CMA HEC A 204 -11.183 -0.033 2.165 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.449 2.175 3.685 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.373 2.909 2.714 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.864 4.208 3.356 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.503 5.263 2.861 1.00 0.00 O HETATM 1823 O2A HEC A 204 -11.592 4.126 4.331 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.848 -3.196 1.267 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.184 -3.203 0.930 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.525 -4.382 0.169 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.395 -5.117 0.118 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.375 -4.396 0.806 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.874 -4.723 -0.440 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.208 -6.539 -0.340 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.770 -6.586 -1.799 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.199 -2.724 1.685 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.056 -4.053 1.363 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.691 -4.498 1.501 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.995 -3.407 1.848 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.914 -2.317 1.929 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.167 -5.919 1.404 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.560 -3.318 2.295 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.446 -3.328 1.143 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.806 -0.250 2.677 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.438 -0.110 2.741 1.00 0.00 C HETATM 1842 C2D HEC A 204 -3.054 1.166 3.293 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.203 1.801 3.573 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.267 0.925 3.213 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.644 1.683 3.522 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.381 3.191 4.136 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.950 3.238 5.600 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.757 4.312 6.327 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.465 5.479 6.131 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.656 3.950 7.068 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.119 1.016 4.206 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.112 1.721 2.572 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.689 2.683 3.953 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.641 -6.535 2.169 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.396 -6.325 0.418 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.088 -5.920 1.555 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.624 -4.783 0.348 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.158 -3.949 -1.153 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.810 -5.683 -0.953 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.726 0.038 3.107 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.412 0.835 1.547 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.483 -0.940 1.641 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.108 2.267 6.069 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.884 3.456 5.671 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.340 -4.253 0.576 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.258 -2.477 0.488 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.458 -3.261 1.543 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.529 -6.114 -2.422 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.825 -6.054 -1.913 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.641 -7.624 -2.107 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.843 3.127 1.787 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -11.222 2.276 2.455 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.793 3.902 3.555 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.425 3.494 4.049 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -9.977 1.973 4.617 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.596 2.806 3.932 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.491 -0.881 2.524 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.868 -5.888 0.709 1.00 0.00 H new HETATM 0 HHB HEC A 204 -10.121 -2.358 1.022 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.818 2.182 3.887 1.00 0.00 H new