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 -129:sc= -1.23! USER MOD Set 1.2: A 78 SER OG : rot 138:sc= 1.77! USER MOD Set 2.1: A 44 GLN : amide:sc= -0.77 K(o=-0.36,f=-8!) USER MOD Set 2.2: A 48 THR OG1 : rot 153:sc= 0.412 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 177:sc= -17.1! (180deg=-17.7!) USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= 0.565 (180deg=-2.24!) USER MOD Single : A 14 THR OG1 : rot 40:sc= -4.36! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0361 F(o=-0.54,f=-0.036) USER MOD Single : A 21 ASN : amide:sc= -6.99! C(o=-7!,f=-16!) USER MOD Single : A 23 SER OG : rot 149:sc= 0.438 USER MOD Single : A 24 THR OG1 : rot 83:sc= -0.802! 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= 0.406 F(o=-1.6,f=0.41) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 152:sc= -1.19! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0429 F(o=-0.9,f=-0.043) USER MOD Single : A 55 MET CE :methyl -118:sc= -0.789 (180deg=-2.4!) 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 -71:sc= 0.225 USER MOD Single : A 66 TYR OH : rot -30:sc= -1.55 USER MOD Single : A 67 HIS : no HE2:sc= -15.3! C(o=-15!,f=-26!) USER MOD Single : A 69 MET CE :methyl -163:sc= -1.47 (180deg=-2.28!) 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+ -118:sc= -2.91! (180deg=-5.3!) USER MOD Single : A 86 THR OG1 : rot 77:sc= 1.1 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 -17:sc= -0.799! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -132:sc= 0.658 USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= 0.207 (180deg=0.169) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0708 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.496 14.668 1.258 1.00 0.00 N ATOM 2 CA ALA A 1 19.585 13.367 1.983 1.00 0.00 C ATOM 3 C ALA A 1 18.445 13.249 2.998 1.00 0.00 C ATOM 4 O ALA A 1 18.535 13.764 4.095 1.00 0.00 O ATOM 5 CB ALA A 1 20.937 13.402 2.694 1.00 0.00 C ATOM 0 H1 ALA A 1 20.275 14.737 0.572 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.587 14.725 0.757 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.565 15.451 1.939 1.00 0.00 H new ATOM 0 HA ALA A 1 19.501 12.512 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.079 12.476 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.733 13.507 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.965 14.248 3.381 1.00 0.00 H new ATOM 13 N PRO A 2 17.408 12.570 2.594 1.00 0.00 N ATOM 14 CA PRO A 2 16.231 12.377 3.477 1.00 0.00 C ATOM 15 C PRO A 2 16.552 11.381 4.591 1.00 0.00 C ATOM 16 O PRO A 2 17.077 10.313 4.349 1.00 0.00 O ATOM 17 CB PRO A 2 15.170 11.804 2.543 1.00 0.00 C ATOM 18 CG PRO A 2 15.938 11.162 1.431 1.00 0.00 C ATOM 19 CD PRO A 2 17.231 11.922 1.289 1.00 0.00 C ATOM 0 HA PRO A 2 15.915 13.298 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.541 11.078 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.511 12.587 2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.131 10.112 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.369 11.193 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.062 11.256 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.177 12.655 0.484 1.00 0.00 H new ATOM 27 N LYS A 3 16.231 11.716 5.808 1.00 0.00 N ATOM 28 CA LYS A 3 16.508 10.776 6.927 1.00 0.00 C ATOM 29 C LYS A 3 15.279 9.920 7.200 1.00 0.00 C ATOM 30 O LYS A 3 14.454 10.236 8.035 1.00 0.00 O ATOM 31 CB LYS A 3 16.811 11.646 8.132 1.00 0.00 C ATOM 32 CG LYS A 3 17.900 12.661 7.781 1.00 0.00 C ATOM 33 CD LYS A 3 18.571 13.155 9.064 1.00 0.00 C ATOM 34 CE LYS A 3 17.576 13.992 9.871 1.00 0.00 C ATOM 35 NZ LYS A 3 17.571 13.379 11.228 1.00 0.00 N ATOM 0 H LYS A 3 15.791 12.596 6.076 1.00 0.00 H new ATOM 0 HA LYS A 3 17.336 10.105 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.908 12.165 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.136 11.025 8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.640 12.204 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.467 13.501 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.914 12.307 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.451 13.751 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.881 15.038 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.583 13.966 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.911 13.899 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.271 12.386 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.528 13.424 11.633 1.00 0.00 H new ATOM 49 N ALA A 4 15.157 8.841 6.497 1.00 0.00 N ATOM 50 CA ALA A 4 13.984 7.941 6.695 1.00 0.00 C ATOM 51 C ALA A 4 13.654 7.828 8.185 1.00 0.00 C ATOM 52 O ALA A 4 14.538 7.732 9.012 1.00 0.00 O ATOM 53 CB ALA A 4 14.421 6.587 6.138 1.00 0.00 C ATOM 0 H ALA A 4 15.821 8.535 5.786 1.00 0.00 H new ATOM 0 HA ALA A 4 13.089 8.314 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.608 5.869 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.672 6.692 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.295 6.233 6.685 1.00 0.00 H new ATOM 59 N PRO A 5 12.383 7.845 8.474 1.00 0.00 N ATOM 60 CA PRO A 5 11.922 7.744 9.871 1.00 0.00 C ATOM 61 C PRO A 5 11.997 6.299 10.360 1.00 0.00 C ATOM 62 O PRO A 5 12.081 5.369 9.582 1.00 0.00 O ATOM 63 CB PRO A 5 10.485 8.248 9.815 1.00 0.00 C ATOM 64 CG PRO A 5 10.036 8.053 8.397 1.00 0.00 C ATOM 65 CD PRO A 5 11.271 7.956 7.528 1.00 0.00 C ATOM 0 HA PRO A 5 12.532 8.318 10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.849 7.694 10.506 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.428 9.298 10.102 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.435 7.148 8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.409 8.885 8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.224 7.089 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.378 8.835 6.892 1.00 0.00 H new ATOM 73 N ALA A 6 11.980 6.109 11.648 1.00 0.00 N ATOM 74 CA ALA A 6 12.064 4.733 12.202 1.00 0.00 C ATOM 75 C ALA A 6 10.934 3.869 11.651 1.00 0.00 C ATOM 76 O ALA A 6 10.140 4.301 10.839 1.00 0.00 O ATOM 77 CB ALA A 6 11.919 4.906 13.714 1.00 0.00 C ATOM 0 H ALA A 6 11.911 6.852 12.344 1.00 0.00 H new ATOM 0 HA ALA A 6 12.998 4.238 11.935 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.971 3.931 14.198 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.724 5.539 14.087 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.959 5.371 13.937 1.00 0.00 H new ATOM 83 N ASP A 7 10.860 2.650 12.093 1.00 0.00 N ATOM 84 CA ASP A 7 9.790 1.741 11.615 1.00 0.00 C ATOM 85 C ASP A 7 8.557 1.895 12.502 1.00 0.00 C ATOM 86 O ASP A 7 8.631 2.393 13.608 1.00 0.00 O ATOM 87 CB ASP A 7 10.378 0.339 11.758 1.00 0.00 C ATOM 88 CG ASP A 7 11.819 0.333 11.243 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.040 0.832 10.151 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.677 -0.171 11.949 1.00 0.00 O ATOM 0 H ASP A 7 11.502 2.241 12.772 1.00 0.00 H new ATOM 0 HA ASP A 7 9.483 1.951 10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.353 0.028 12.802 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.778 -0.377 11.197 1.00 0.00 H new ATOM 95 N GLY A 8 7.428 1.465 12.031 1.00 0.00 N ATOM 96 CA GLY A 8 6.190 1.576 12.847 1.00 0.00 C ATOM 97 C GLY A 8 5.367 2.780 12.393 1.00 0.00 C ATOM 98 O GLY A 8 4.438 3.192 13.059 1.00 0.00 O ATOM 0 H GLY A 8 7.305 1.039 11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.599 0.665 12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.448 1.679 13.901 1.00 0.00 H new ATOM 102 N LEU A 9 5.685 3.345 11.262 1.00 0.00 N ATOM 103 CA LEU A 9 4.895 4.512 10.783 1.00 0.00 C ATOM 104 C LEU A 9 3.444 4.093 10.621 1.00 0.00 C ATOM 105 O LEU A 9 3.136 3.155 9.919 1.00 0.00 O ATOM 106 CB LEU A 9 5.491 4.903 9.435 1.00 0.00 C ATOM 107 CG LEU A 9 5.755 6.407 9.432 1.00 0.00 C ATOM 108 CD1 LEU A 9 6.979 6.701 8.566 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.543 7.149 8.862 1.00 0.00 C ATOM 0 H LEU A 9 6.450 3.053 10.654 1.00 0.00 H new ATOM 0 HA LEU A 9 4.930 5.349 11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.418 4.357 9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.807 4.638 8.629 1.00 0.00 H new ATOM 0 HG LEU A 9 5.933 6.743 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.172 7.774 8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.846 6.179 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.794 6.360 7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.739 8.221 8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.359 6.815 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.667 6.940 9.476 1.00 0.00 H new ATOM 121 N LYS A 10 2.551 4.766 11.275 1.00 0.00 N ATOM 122 CA LYS A 10 1.119 4.375 11.164 1.00 0.00 C ATOM 123 C LYS A 10 0.397 5.214 10.113 1.00 0.00 C ATOM 124 O LYS A 10 0.208 6.404 10.269 1.00 0.00 O ATOM 125 CB LYS A 10 0.522 4.625 12.545 1.00 0.00 C ATOM 126 CG LYS A 10 0.401 3.297 13.294 1.00 0.00 C ATOM 127 CD LYS A 10 -0.605 3.446 14.438 1.00 0.00 C ATOM 128 CE LYS A 10 -0.804 2.093 15.124 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.791 2.353 16.208 1.00 0.00 N ATOM 0 H LYS A 10 2.743 5.565 11.879 1.00 0.00 H new ATOM 0 HA LYS A 10 1.015 3.335 10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.152 5.316 13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.458 5.092 12.450 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.078 2.511 12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.373 2.999 13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.246 4.181 15.158 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.556 3.814 14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.175 1.346 14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.135 1.713 15.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.979 1.470 16.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.407 3.063 16.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.677 2.707 15.793 1.00 0.00 H new ATOM 143 N MET A 11 -0.033 4.587 9.057 1.00 0.00 N ATOM 144 CA MET A 11 -0.776 5.322 8.000 1.00 0.00 C ATOM 145 C MET A 11 -2.260 5.295 8.343 1.00 0.00 C ATOM 146 O MET A 11 -2.936 4.317 8.114 1.00 0.00 O ATOM 147 CB MET A 11 -0.505 4.548 6.710 1.00 0.00 C ATOM 148 CG MET A 11 0.685 5.172 5.984 1.00 0.00 C ATOM 149 SD MET A 11 0.875 4.402 4.357 1.00 0.00 S ATOM 150 CE MET A 11 0.564 2.698 4.875 1.00 0.00 C ATOM 0 H MET A 11 0.099 3.591 8.880 1.00 0.00 H new ATOM 0 HA MET A 11 -0.472 6.364 7.905 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.299 3.502 6.937 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.387 4.567 6.069 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.534 6.246 5.874 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.594 5.036 6.570 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.580 2.044 4.003 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.336 2.385 5.578 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.412 2.637 5.357 1.00 0.00 H new ATOM 160 N ASP A 12 -2.766 6.348 8.917 1.00 0.00 N ATOM 161 CA ASP A 12 -4.210 6.357 9.300 1.00 0.00 C ATOM 162 C ASP A 12 -5.008 7.296 8.401 1.00 0.00 C ATOM 163 O ASP A 12 -6.103 7.708 8.730 1.00 0.00 O ATOM 164 CB ASP A 12 -4.233 6.854 10.742 1.00 0.00 C ATOM 165 CG ASP A 12 -3.254 8.019 10.906 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.501 9.061 10.322 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.274 7.848 11.614 1.00 0.00 O ATOM 0 H ASP A 12 -2.249 7.199 9.138 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.662 5.371 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.240 7.173 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.965 6.044 11.420 1.00 0.00 H new ATOM 172 N LYS A 13 -4.473 7.628 7.270 1.00 0.00 N ATOM 173 CA LYS A 13 -5.201 8.532 6.341 1.00 0.00 C ATOM 174 C LYS A 13 -6.632 8.031 6.133 1.00 0.00 C ATOM 175 O LYS A 13 -7.541 8.797 5.879 1.00 0.00 O ATOM 176 CB LYS A 13 -4.410 8.453 5.043 1.00 0.00 C ATOM 177 CG LYS A 13 -3.172 9.342 5.154 1.00 0.00 C ATOM 178 CD LYS A 13 -3.605 10.794 5.366 1.00 0.00 C ATOM 179 CE LYS A 13 -2.387 11.713 5.246 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.924 12.992 4.704 1.00 0.00 N ATOM 0 H LYS A 13 -3.559 7.313 6.943 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.278 9.552 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.116 7.422 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.029 8.774 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.548 9.012 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.569 9.259 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.357 11.072 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.064 10.908 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.909 11.864 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.635 11.287 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.407 13.247 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.934 12.879 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.807 13.745 5.412 1.00 0.00 H new ATOM 194 N THR A 14 -6.833 6.749 6.240 1.00 0.00 N ATOM 195 CA THR A 14 -8.204 6.183 6.049 1.00 0.00 C ATOM 196 C THR A 14 -8.693 5.513 7.336 1.00 0.00 C ATOM 197 O THR A 14 -8.039 5.557 8.360 1.00 0.00 O ATOM 198 CB THR A 14 -8.054 5.144 4.938 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.956 4.294 5.230 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.816 5.849 3.603 1.00 0.00 C ATOM 0 H THR A 14 -6.108 6.064 6.452 1.00 0.00 H new ATOM 0 HA THR A 14 -8.931 6.955 5.797 1.00 0.00 H new ATOM 0 HB THR A 14 -8.965 4.550 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.940 4.099 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.709 5.106 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.662 6.498 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.906 6.446 3.664 1.00 0.00 H new ATOM 208 N LYS A 15 -9.839 4.886 7.290 1.00 0.00 N ATOM 209 CA LYS A 15 -10.372 4.206 8.504 1.00 0.00 C ATOM 210 C LYS A 15 -9.520 2.976 8.821 1.00 0.00 C ATOM 211 O LYS A 15 -9.461 2.519 9.945 1.00 0.00 O ATOM 212 CB LYS A 15 -11.797 3.792 8.136 1.00 0.00 C ATOM 213 CG LYS A 15 -12.786 4.817 8.693 1.00 0.00 C ATOM 214 CD LYS A 15 -13.550 5.470 7.539 1.00 0.00 C ATOM 215 CE LYS A 15 -14.657 6.365 8.101 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.511 6.702 6.928 1.00 0.00 N ATOM 0 H LYS A 15 -10.429 4.816 6.461 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.354 4.848 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.899 3.724 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.016 2.803 8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.483 4.331 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.254 5.576 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.869 6.059 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.980 4.704 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.230 5.848 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.244 7.263 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.294 7.315 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.940 7.199 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.896 5.828 6.516 1.00 0.00 H new ATOM 230 N GLN A 16 -8.850 2.445 7.835 1.00 0.00 N ATOM 231 CA GLN A 16 -7.987 1.254 8.070 1.00 0.00 C ATOM 232 C GLN A 16 -6.521 1.688 8.096 1.00 0.00 C ATOM 233 O GLN A 16 -5.832 1.610 7.099 1.00 0.00 O ATOM 234 CB GLN A 16 -8.255 0.327 6.883 1.00 0.00 C ATOM 235 CG GLN A 16 -9.404 -0.624 7.226 1.00 0.00 C ATOM 236 CD GLN A 16 -9.455 -1.755 6.198 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.043 -1.552 5.050 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -8.956 -2.835 6.442 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.864 2.786 6.874 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.198 0.760 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.506 0.914 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.357 -0.242 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.265 -1.034 8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.349 -0.082 7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.497 -2.994 7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.996 -3.583 5.750 1.00 0.00 H new ATOM 247 N PRO A 17 -6.101 2.148 9.241 1.00 0.00 N ATOM 248 CA PRO A 17 -4.704 2.623 9.409 1.00 0.00 C ATOM 249 C PRO A 17 -3.710 1.465 9.299 1.00 0.00 C ATOM 250 O PRO A 17 -3.894 0.414 9.881 1.00 0.00 O ATOM 251 CB PRO A 17 -4.699 3.227 10.813 1.00 0.00 C ATOM 252 CG PRO A 17 -5.822 2.545 11.523 1.00 0.00 C ATOM 253 CD PRO A 17 -6.874 2.266 10.481 1.00 0.00 C ATOM 0 HA PRO A 17 -4.403 3.336 8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.748 3.052 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.848 4.306 10.780 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.482 1.620 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.220 3.176 12.318 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.424 1.351 10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.606 3.072 10.423 1.00 0.00 H new ATOM 261 N VAL A 18 -2.657 1.654 8.551 1.00 0.00 N ATOM 262 CA VAL A 18 -1.645 0.578 8.389 1.00 0.00 C ATOM 263 C VAL A 18 -0.267 1.073 8.838 1.00 0.00 C ATOM 264 O VAL A 18 0.154 2.160 8.497 1.00 0.00 O ATOM 265 CB VAL A 18 -1.639 0.281 6.893 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.386 -0.517 6.543 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.884 -0.531 6.527 1.00 0.00 C ATOM 0 H VAL A 18 -2.455 2.515 8.043 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.875 -0.304 8.987 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.643 1.217 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.378 -0.731 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.499 0.063 6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.383 -1.453 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.879 -0.743 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.883 -1.469 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.778 0.040 6.780 1.00 0.00 H new ATOM 277 N VAL A 19 0.441 0.282 9.597 1.00 0.00 N ATOM 278 CA VAL A 19 1.791 0.707 10.060 1.00 0.00 C ATOM 279 C VAL A 19 2.851 0.349 9.011 1.00 0.00 C ATOM 280 O VAL A 19 2.977 -0.793 8.617 1.00 0.00 O ATOM 281 CB VAL A 19 2.034 -0.084 11.346 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.516 -0.013 11.718 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.196 0.510 12.479 1.00 0.00 C ATOM 0 H VAL A 19 0.143 -0.640 9.916 1.00 0.00 H new ATOM 0 HA VAL A 19 1.850 1.784 10.220 1.00 0.00 H new ATOM 0 HB VAL A 19 1.748 -1.124 11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.688 -0.577 12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.114 -0.438 10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.803 1.027 11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.370 -0.055 13.395 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.480 1.551 12.635 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.139 0.458 12.216 1.00 0.00 H new ATOM 293 N PHE A 20 3.621 1.306 8.562 1.00 0.00 N ATOM 294 CA PHE A 20 4.671 0.990 7.550 1.00 0.00 C ATOM 295 C PHE A 20 6.041 0.923 8.223 1.00 0.00 C ATOM 296 O PHE A 20 6.529 1.899 8.759 1.00 0.00 O ATOM 297 CB PHE A 20 4.644 2.131 6.530 1.00 0.00 C ATOM 298 CG PHE A 20 5.743 1.899 5.519 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.686 0.786 4.674 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.821 2.790 5.428 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.703 0.562 3.738 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.836 2.565 4.492 1.00 0.00 C ATOM 303 CZ PHE A 20 7.777 1.453 3.647 1.00 0.00 C ATOM 0 H PHE A 20 3.569 2.283 8.849 1.00 0.00 H new ATOM 0 HA PHE A 20 4.486 0.027 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.675 2.171 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.786 3.089 7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.856 0.098 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.868 3.650 6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.658 -0.298 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.667 3.252 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.561 1.282 2.924 1.00 0.00 H new ATOM 313 N ASN A 21 6.668 -0.218 8.200 1.00 0.00 N ATOM 314 CA ASN A 21 8.001 -0.348 8.833 1.00 0.00 C ATOM 315 C ASN A 21 9.097 -0.109 7.791 1.00 0.00 C ATOM 316 O ASN A 21 9.454 -0.997 7.042 1.00 0.00 O ATOM 317 CB ASN A 21 8.034 -1.788 9.329 1.00 0.00 C ATOM 318 CG ASN A 21 8.076 -1.813 10.858 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.791 -0.824 11.501 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.416 -2.913 11.471 1.00 0.00 N ATOM 0 H ASN A 21 6.310 -1.069 7.767 1.00 0.00 H new ATOM 0 HA ASN A 21 8.167 0.371 9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.155 -2.325 8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.907 -2.301 8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.442 -2.942 12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.656 -3.745 10.931 1.00 0.00 H new ATOM 327 N HIS A 22 9.633 1.079 7.733 1.00 0.00 N ATOM 328 CA HIS A 22 10.702 1.358 6.732 1.00 0.00 C ATOM 329 C HIS A 22 11.768 0.263 6.802 1.00 0.00 C ATOM 330 O HIS A 22 12.352 -0.114 5.806 1.00 0.00 O ATOM 331 CB HIS A 22 11.298 2.704 7.142 1.00 0.00 C ATOM 332 CG HIS A 22 10.537 3.830 6.493 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.737 4.691 7.227 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.476 4.278 5.192 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.241 5.609 6.379 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.661 5.407 5.129 1.00 0.00 N ATOM 0 H HIS A 22 9.379 1.865 8.332 1.00 0.00 H new ATOM 0 HA HIS A 22 10.319 1.381 5.712 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.264 2.810 8.226 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.347 2.749 6.850 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.557 4.638 8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.981 3.825 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.582 6.413 6.674 1.00 0.00 H new ATOM 344 N SER A 23 12.022 -0.256 7.974 1.00 0.00 N ATOM 345 CA SER A 23 13.046 -1.332 8.105 1.00 0.00 C ATOM 346 C SER A 23 12.781 -2.425 7.068 1.00 0.00 C ATOM 347 O SER A 23 13.685 -2.917 6.424 1.00 0.00 O ATOM 348 CB SER A 23 12.869 -1.880 9.520 1.00 0.00 C ATOM 349 OG SER A 23 13.895 -1.361 10.356 1.00 0.00 O ATOM 0 H SER A 23 11.566 0.018 8.844 1.00 0.00 H new ATOM 0 HA SER A 23 14.059 -0.967 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.890 -1.602 9.910 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.910 -2.969 9.508 1.00 0.00 H new ATOM 0 HG SER A 23 13.554 -1.263 11.270 1.00 0.00 H new ATOM 355 N THR A 24 11.543 -2.800 6.898 1.00 0.00 N ATOM 356 CA THR A 24 11.216 -3.852 5.894 1.00 0.00 C ATOM 357 C THR A 24 11.378 -3.284 4.484 1.00 0.00 C ATOM 358 O THR A 24 11.320 -3.998 3.504 1.00 0.00 O ATOM 359 CB THR A 24 9.755 -4.220 6.160 1.00 0.00 C ATOM 360 OG1 THR A 24 9.308 -3.564 7.339 1.00 0.00 O ATOM 361 CG2 THR A 24 9.633 -5.734 6.341 1.00 0.00 C ATOM 0 H THR A 24 10.745 -2.424 7.410 1.00 0.00 H new ATOM 0 HA THR A 24 11.870 -4.721 5.972 1.00 0.00 H new ATOM 0 HB THR A 24 9.143 -3.906 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.034 -2.649 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.592 -5.995 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.974 -6.237 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.246 -6.050 7.185 1.00 0.00 H new ATOM 369 N HIS A 25 11.567 -1.999 4.379 1.00 0.00 N ATOM 370 CA HIS A 25 11.717 -1.371 3.046 1.00 0.00 C ATOM 371 C HIS A 25 13.076 -0.675 2.929 1.00 0.00 C ATOM 372 O HIS A 25 13.444 -0.186 1.880 1.00 0.00 O ATOM 373 CB HIS A 25 10.573 -0.372 2.995 1.00 0.00 C ATOM 374 CG HIS A 25 9.292 -1.109 3.253 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.817 -1.335 4.535 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.392 -1.707 2.408 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.680 -2.045 4.426 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.379 -2.300 3.152 1.00 0.00 N ATOM 0 H HIS A 25 11.624 -1.355 5.168 1.00 0.00 H new ATOM 0 HA HIS A 25 11.682 -2.086 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.718 0.410 3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.540 0.118 2.022 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.251 -1.020 5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.460 -1.716 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.084 -2.369 5.267 1.00 0.00 H new ATOM 386 N LYS A 26 13.830 -0.639 3.994 1.00 0.00 N ATOM 387 CA LYS A 26 15.168 0.015 3.931 1.00 0.00 C ATOM 388 C LYS A 26 15.969 -0.573 2.768 1.00 0.00 C ATOM 389 O LYS A 26 16.909 0.023 2.281 1.00 0.00 O ATOM 390 CB LYS A 26 15.836 -0.313 5.268 1.00 0.00 C ATOM 391 CG LYS A 26 15.876 -1.829 5.465 1.00 0.00 C ATOM 392 CD LYS A 26 17.195 -2.382 4.919 1.00 0.00 C ATOM 393 CE LYS A 26 17.261 -3.890 5.171 1.00 0.00 C ATOM 394 NZ LYS A 26 18.418 -4.076 6.091 1.00 0.00 N ATOM 0 H LYS A 26 13.579 -1.032 4.901 1.00 0.00 H new ATOM 0 HA LYS A 26 15.103 1.091 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.847 0.093 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.287 0.155 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.779 -2.071 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.034 -2.295 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.273 -2.177 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.037 -1.885 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.337 -4.256 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.404 -4.440 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.528 -5.087 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.284 -3.725 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.251 -3.547 6.971 1.00 0.00 H new ATOM 408 N ALA A 27 15.595 -1.739 2.314 1.00 0.00 N ATOM 409 CA ALA A 27 16.322 -2.369 1.177 1.00 0.00 C ATOM 410 C ALA A 27 15.580 -2.088 -0.133 1.00 0.00 C ATOM 411 O ALA A 27 16.031 -2.441 -1.203 1.00 0.00 O ATOM 412 CB ALA A 27 16.321 -3.867 1.485 1.00 0.00 C ATOM 0 H ALA A 27 14.815 -2.283 2.683 1.00 0.00 H new ATOM 0 HA ALA A 27 17.334 -1.981 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.840 -4.402 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.829 -4.044 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.293 -4.224 1.551 1.00 0.00 H new ATOM 418 N VAL A 28 14.446 -1.443 -0.051 1.00 0.00 N ATOM 419 CA VAL A 28 13.677 -1.126 -1.286 1.00 0.00 C ATOM 420 C VAL A 28 14.253 0.130 -1.926 1.00 0.00 C ATOM 421 O VAL A 28 15.153 0.748 -1.394 1.00 0.00 O ATOM 422 CB VAL A 28 12.245 -0.880 -0.813 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.414 -0.296 -1.954 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.623 -2.201 -0.360 1.00 0.00 C ATOM 0 H VAL A 28 14.021 -1.123 0.819 1.00 0.00 H new ATOM 0 HA VAL A 28 13.721 -1.924 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 28 12.260 -0.176 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.394 -0.123 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.853 0.648 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.401 -0.996 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.602 -2.025 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.614 -2.904 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.209 -2.617 0.459 1.00 0.00 H new ATOM 434 N LYS A 29 13.746 0.524 -3.056 1.00 0.00 N ATOM 435 CA LYS A 29 14.284 1.749 -3.694 1.00 0.00 C ATOM 436 C LYS A 29 13.543 2.968 -3.173 1.00 0.00 C ATOM 437 O LYS A 29 12.412 3.229 -3.526 1.00 0.00 O ATOM 438 CB LYS A 29 14.048 1.588 -5.184 1.00 0.00 C ATOM 439 CG LYS A 29 15.393 1.481 -5.895 1.00 0.00 C ATOM 440 CD LYS A 29 15.791 0.009 -6.022 1.00 0.00 C ATOM 441 CE LYS A 29 15.117 -0.598 -7.254 1.00 0.00 C ATOM 442 NZ LYS A 29 16.127 -0.480 -8.342 1.00 0.00 N ATOM 0 H LYS A 29 12.992 0.057 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 29 15.343 1.886 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.450 0.697 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.486 2.439 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.331 1.938 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.154 2.027 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.874 -0.080 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.495 -0.537 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.842 -1.639 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.201 -0.064 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.738 -0.876 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.364 0.522 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.986 -1.004 -8.077 1.00 0.00 H new ATOM 456 N CYS A 30 14.182 3.715 -2.335 1.00 0.00 N ATOM 457 CA CYS A 30 13.532 4.934 -1.778 1.00 0.00 C ATOM 458 C CYS A 30 12.856 5.714 -2.907 1.00 0.00 C ATOM 459 O CYS A 30 11.932 6.471 -2.690 1.00 0.00 O ATOM 460 CB CYS A 30 14.668 5.753 -1.164 1.00 0.00 C ATOM 461 SG CYS A 30 15.090 5.077 0.462 1.00 0.00 S ATOM 0 H CYS A 30 15.131 3.540 -2.005 1.00 0.00 H new ATOM 0 HA CYS A 30 12.766 4.698 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.541 5.730 -1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.368 6.797 -1.069 1.00 0.00 H new ATOM 466 N GLY A 31 13.314 5.528 -4.115 1.00 0.00 N ATOM 467 CA GLY A 31 12.703 6.249 -5.267 1.00 0.00 C ATOM 468 C GLY A 31 11.565 5.411 -5.852 1.00 0.00 C ATOM 469 O GLY A 31 10.780 5.885 -6.644 1.00 0.00 O ATOM 0 H GLY A 31 14.087 4.906 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.325 7.218 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.457 6.440 -6.031 1.00 0.00 H new ATOM 473 N ASP A 32 11.454 4.171 -5.462 1.00 0.00 N ATOM 474 CA ASP A 32 10.350 3.335 -5.997 1.00 0.00 C ATOM 475 C ASP A 32 9.069 3.680 -5.240 1.00 0.00 C ATOM 476 O ASP A 32 7.982 3.652 -5.783 1.00 0.00 O ATOM 477 CB ASP A 32 10.786 1.894 -5.741 1.00 0.00 C ATOM 478 CG ASP A 32 10.723 1.109 -7.051 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.806 1.347 -7.820 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.596 0.285 -7.267 1.00 0.00 O ATOM 0 H ASP A 32 12.076 3.706 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 32 10.153 3.495 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.799 1.874 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.139 1.433 -4.995 1.00 0.00 H new ATOM 485 N CYS A 33 9.201 4.051 -3.996 1.00 0.00 N ATOM 486 CA CYS A 33 8.009 4.453 -3.201 1.00 0.00 C ATOM 487 C CYS A 33 7.864 5.972 -3.305 1.00 0.00 C ATOM 488 O CYS A 33 6.859 6.484 -3.756 1.00 0.00 O ATOM 489 CB CYS A 33 8.320 4.031 -1.763 1.00 0.00 C ATOM 490 SG CYS A 33 7.914 2.282 -1.536 1.00 0.00 S ATOM 0 H CYS A 33 10.088 4.093 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 33 7.081 3.997 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.374 4.200 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.748 4.640 -1.064 1.00 0.00 H new ATOM 495 N HIS A 34 8.887 6.697 -2.925 1.00 0.00 N ATOM 496 CA HIS A 34 8.839 8.180 -3.040 1.00 0.00 C ATOM 497 C HIS A 34 9.368 8.577 -4.418 1.00 0.00 C ATOM 498 O HIS A 34 10.188 9.462 -4.542 1.00 0.00 O ATOM 499 CB HIS A 34 9.780 8.712 -1.959 1.00 0.00 C ATOM 500 CG HIS A 34 9.221 8.439 -0.588 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.064 9.045 -0.121 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.672 7.653 0.442 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.866 8.620 1.141 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.819 7.772 1.531 1.00 0.00 N ATOM 0 H HIS A 34 9.753 6.321 -2.540 1.00 0.00 H new ATOM 0 HA HIS A 34 7.830 8.575 -2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.759 8.243 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.925 9.784 -2.091 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.472 9.694 -0.639 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.557 7.035 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.037 8.928 1.761 1.00 0.00 H new ATOM 512 N HIS A 35 8.924 7.905 -5.448 1.00 0.00 N ATOM 513 CA HIS A 35 9.415 8.216 -6.823 1.00 0.00 C ATOM 514 C HIS A 35 9.724 9.709 -6.969 1.00 0.00 C ATOM 515 O HIS A 35 9.247 10.525 -6.205 1.00 0.00 O ATOM 516 CB HIS A 35 8.282 7.798 -7.757 1.00 0.00 C ATOM 517 CG HIS A 35 6.974 8.278 -7.213 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.551 9.566 -7.424 1.00 0.00 N ATOM 519 CD2 HIS A 35 5.981 7.662 -6.484 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.350 9.702 -6.841 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.950 8.570 -6.251 1.00 0.00 N ATOM 0 H HIS A 35 8.239 7.151 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 35 10.342 7.690 -7.051 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.447 8.212 -8.752 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.267 6.713 -7.862 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.058 10.290 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.999 6.636 -6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.775 10.616 -6.847 1.00 0.00 H new ATOM 529 N PRO A 36 10.535 10.008 -7.947 1.00 0.00 N ATOM 530 CA PRO A 36 10.951 11.410 -8.202 1.00 0.00 C ATOM 531 C PRO A 36 9.772 12.269 -8.657 1.00 0.00 C ATOM 532 O PRO A 36 9.356 12.226 -9.797 1.00 0.00 O ATOM 533 CB PRO A 36 11.999 11.275 -9.307 1.00 0.00 C ATOM 534 CG PRO A 36 11.674 9.983 -9.981 1.00 0.00 C ATOM 535 CD PRO A 36 11.128 9.076 -8.912 1.00 0.00 C ATOM 0 HA PRO A 36 11.336 11.904 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.948 12.110 -10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.009 11.265 -8.896 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.943 10.132 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.562 9.550 -10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.386 8.385 -9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.913 8.472 -8.457 1.00 0.00 H new ATOM 543 N VAL A 37 9.248 13.066 -7.768 1.00 0.00 N ATOM 544 CA VAL A 37 8.110 13.954 -8.130 1.00 0.00 C ATOM 545 C VAL A 37 8.610 15.393 -8.245 1.00 0.00 C ATOM 546 O VAL A 37 9.611 15.756 -7.663 1.00 0.00 O ATOM 547 CB VAL A 37 7.114 13.816 -6.978 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.151 15.005 -6.986 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.321 12.518 -7.144 1.00 0.00 C ATOM 0 H VAL A 37 9.562 13.140 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 37 7.654 13.690 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 37 7.655 13.795 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.442 14.905 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.715 15.930 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.609 15.028 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.611 12.418 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.781 12.540 -8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.006 11.670 -7.136 1.00 0.00 H new ATOM 559 N ASN A 38 7.921 16.217 -8.977 1.00 0.00 N ATOM 560 CA ASN A 38 8.366 17.632 -9.107 1.00 0.00 C ATOM 561 C ASN A 38 9.864 17.695 -9.421 1.00 0.00 C ATOM 562 O ASN A 38 10.516 18.688 -9.165 1.00 0.00 O ATOM 563 CB ASN A 38 8.101 18.220 -7.731 1.00 0.00 C ATOM 564 CG ASN A 38 8.090 19.747 -7.812 1.00 0.00 C ATOM 565 OD1 ASN A 38 7.071 20.407 -7.331 1.00 0.00 O flip ATOM 566 ND2 ASN A 38 9.018 20.347 -8.318 1.00 0.00 N flip ATOM 0 H ASN A 38 7.073 15.976 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 38 7.853 18.163 -9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.145 17.860 -7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.868 17.890 -7.031 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.814 19.832 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.001 21.366 -8.367 1.00 0.00 H new ATOM 573 N GLY A 39 10.423 16.646 -9.957 1.00 0.00 N ATOM 574 CA GLY A 39 11.877 16.659 -10.261 1.00 0.00 C ATOM 575 C GLY A 39 12.634 16.077 -9.067 1.00 0.00 C ATOM 576 O GLY A 39 13.815 15.804 -9.141 1.00 0.00 O ATOM 0 H GLY A 39 9.935 15.783 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.080 16.075 -11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.212 17.677 -10.461 1.00 0.00 H new ATOM 580 N LYS A 40 11.960 15.884 -7.962 1.00 0.00 N ATOM 581 CA LYS A 40 12.649 15.317 -6.764 1.00 0.00 C ATOM 582 C LYS A 40 11.743 14.303 -6.057 1.00 0.00 C ATOM 583 O LYS A 40 10.550 14.499 -5.942 1.00 0.00 O ATOM 584 CB LYS A 40 12.920 16.517 -5.857 1.00 0.00 C ATOM 585 CG LYS A 40 11.603 17.234 -5.549 1.00 0.00 C ATOM 586 CD LYS A 40 11.899 18.590 -4.904 1.00 0.00 C ATOM 587 CE LYS A 40 10.614 19.419 -4.844 1.00 0.00 C ATOM 588 NZ LYS A 40 11.069 20.836 -4.910 1.00 0.00 N ATOM 0 H LYS A 40 10.969 16.093 -7.838 1.00 0.00 H new ATOM 0 HA LYS A 40 13.566 14.790 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.392 16.187 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.615 17.203 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.029 17.373 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.994 16.626 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.299 18.447 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.659 19.119 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.949 19.178 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.061 19.224 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.244 21.468 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.695 21.038 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.587 20.993 -5.798 1.00 0.00 H new ATOM 602 N GLU A 41 12.301 13.220 -5.581 1.00 0.00 N ATOM 603 CA GLU A 41 11.462 12.203 -4.881 1.00 0.00 C ATOM 604 C GLU A 41 10.900 12.785 -3.589 1.00 0.00 C ATOM 605 O GLU A 41 11.620 13.013 -2.637 1.00 0.00 O ATOM 606 CB GLU A 41 12.401 11.042 -4.552 1.00 0.00 C ATOM 607 CG GLU A 41 12.770 10.294 -5.834 1.00 0.00 C ATOM 608 CD GLU A 41 14.110 9.581 -5.642 1.00 0.00 C ATOM 609 OE1 GLU A 41 15.113 10.267 -5.537 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.111 8.362 -5.603 1.00 0.00 O ATOM 0 H GLU A 41 13.294 12.997 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 41 10.622 11.887 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.302 11.417 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.920 10.362 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.993 9.570 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.834 10.992 -6.669 1.00 0.00 H new ATOM 617 N ASP A 42 9.621 13.012 -3.532 1.00 0.00 N ATOM 618 CA ASP A 42 9.039 13.560 -2.280 1.00 0.00 C ATOM 619 C ASP A 42 9.178 12.522 -1.172 1.00 0.00 C ATOM 620 O ASP A 42 8.393 11.601 -1.062 1.00 0.00 O ATOM 621 CB ASP A 42 7.573 13.822 -2.581 1.00 0.00 C ATOM 622 CG ASP A 42 7.448 15.029 -3.512 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.182 15.079 -4.486 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.624 15.885 -3.235 1.00 0.00 O ATOM 0 H ASP A 42 8.959 12.844 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 42 9.540 14.471 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.124 12.944 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.029 14.006 -1.655 1.00 0.00 H new ATOM 629 N TYR A 43 10.178 12.662 -0.360 1.00 0.00 N ATOM 630 CA TYR A 43 10.388 11.682 0.739 1.00 0.00 C ATOM 631 C TYR A 43 9.468 12.012 1.917 1.00 0.00 C ATOM 632 O TYR A 43 9.907 12.149 3.041 1.00 0.00 O ATOM 633 CB TYR A 43 11.855 11.842 1.141 1.00 0.00 C ATOM 634 CG TYR A 43 12.741 11.433 -0.013 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.916 10.077 -0.316 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.386 12.410 -0.779 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.738 9.699 -1.384 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.208 12.032 -1.848 1.00 0.00 C ATOM 639 CZ TYR A 43 14.384 10.677 -2.151 1.00 0.00 C ATOM 640 OH TYR A 43 15.193 10.304 -3.204 1.00 0.00 O ATOM 0 H TYR A 43 10.864 13.415 -0.407 1.00 0.00 H new ATOM 0 HA TYR A 43 10.162 10.661 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.056 12.877 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.073 11.229 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.417 9.323 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.250 13.456 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.874 8.653 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.706 12.786 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 43 15.201 11.015 -3.878 1.00 0.00 H new ATOM 650 N GLN A 44 8.195 12.147 1.666 1.00 0.00 N ATOM 651 CA GLN A 44 7.249 12.476 2.771 1.00 0.00 C ATOM 652 C GLN A 44 6.086 11.484 2.788 1.00 0.00 C ATOM 653 O GLN A 44 5.975 10.627 1.935 1.00 0.00 O ATOM 654 CB GLN A 44 6.747 13.886 2.459 1.00 0.00 C ATOM 655 CG GLN A 44 6.354 13.973 0.982 1.00 0.00 C ATOM 656 CD GLN A 44 5.566 15.261 0.738 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.584 15.260 0.023 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.960 16.369 1.304 1.00 0.00 N ATOM 0 H GLN A 44 7.769 12.044 0.745 1.00 0.00 H new ATOM 0 HA GLN A 44 7.726 12.421 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.890 14.126 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.523 14.618 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.246 13.956 0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.752 13.108 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.785 16.370 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.443 17.234 1.146 1.00 0.00 H new ATOM 667 N LYS A 45 5.223 11.589 3.761 1.00 0.00 N ATOM 668 CA LYS A 45 4.076 10.644 3.841 1.00 0.00 C ATOM 669 C LYS A 45 3.469 10.421 2.458 1.00 0.00 C ATOM 670 O LYS A 45 3.275 11.344 1.692 1.00 0.00 O ATOM 671 CB LYS A 45 3.061 11.310 4.767 1.00 0.00 C ATOM 672 CG LYS A 45 2.930 12.793 4.418 1.00 0.00 C ATOM 673 CD LYS A 45 2.021 13.477 5.440 1.00 0.00 C ATOM 674 CE LYS A 45 2.384 14.962 5.533 1.00 0.00 C ATOM 675 NZ LYS A 45 2.922 15.139 6.911 1.00 0.00 N ATOM 0 H LYS A 45 5.263 12.288 4.503 1.00 0.00 H new ATOM 0 HA LYS A 45 4.384 9.667 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.093 10.819 4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.375 11.198 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.912 13.265 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.518 12.907 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.977 13.364 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.131 13.003 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.125 15.236 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.511 15.593 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.194 16.133 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.193 14.877 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.756 14.531 7.039 1.00 0.00 H new ATOM 689 N CYS A 46 3.164 9.197 2.140 1.00 0.00 N ATOM 690 CA CYS A 46 2.565 8.892 0.813 1.00 0.00 C ATOM 691 C CYS A 46 1.314 9.742 0.587 1.00 0.00 C ATOM 692 O CYS A 46 1.050 10.203 -0.506 1.00 0.00 O ATOM 693 CB CYS A 46 2.196 7.414 0.895 1.00 0.00 C ATOM 694 SG CYS A 46 3.703 6.420 1.037 1.00 0.00 S ATOM 0 H CYS A 46 3.305 8.389 2.746 1.00 0.00 H new ATOM 0 HA CYS A 46 3.244 9.107 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.549 7.237 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.636 7.119 0.008 1.00 0.00 H new ATOM 699 N ALA A 47 0.541 9.942 1.613 1.00 0.00 N ATOM 700 CA ALA A 47 -0.705 10.751 1.469 1.00 0.00 C ATOM 701 C ALA A 47 -0.541 12.121 2.127 1.00 0.00 C ATOM 702 O ALA A 47 -1.350 12.534 2.934 1.00 0.00 O ATOM 703 CB ALA A 47 -1.775 9.948 2.193 1.00 0.00 C ATOM 0 H ALA A 47 0.716 9.580 2.551 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.954 10.932 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.727 10.475 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.873 8.968 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.492 9.824 3.238 1.00 0.00 H new ATOM 709 N THR A 48 0.498 12.823 1.792 1.00 0.00 N ATOM 710 CA THR A 48 0.726 14.167 2.390 1.00 0.00 C ATOM 711 C THR A 48 -0.547 15.019 2.319 1.00 0.00 C ATOM 712 O THR A 48 -1.612 14.544 1.980 1.00 0.00 O ATOM 713 CB THR A 48 1.841 14.795 1.553 1.00 0.00 C ATOM 714 OG1 THR A 48 2.736 13.779 1.122 1.00 0.00 O ATOM 715 CG2 THR A 48 2.599 15.822 2.397 1.00 0.00 C ATOM 0 H THR A 48 1.208 12.523 1.123 1.00 0.00 H new ATOM 0 HA THR A 48 0.995 14.100 3.444 1.00 0.00 H new ATOM 0 HB THR A 48 1.409 15.291 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.166 14.055 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.393 16.269 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.911 16.601 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.033 15.329 3.267 1.00 0.00 H new ATOM 723 N ALA A 49 -0.437 16.278 2.643 1.00 0.00 N ATOM 724 CA ALA A 49 -1.632 17.176 2.607 1.00 0.00 C ATOM 725 C ALA A 49 -2.075 17.433 1.164 1.00 0.00 C ATOM 726 O ALA A 49 -3.109 18.022 0.916 1.00 0.00 O ATOM 727 CB ALA A 49 -1.168 18.476 3.264 1.00 0.00 C ATOM 0 H ALA A 49 0.432 16.728 2.933 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.487 16.737 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.991 19.191 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.848 18.273 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.334 18.892 2.698 1.00 0.00 H new ATOM 733 N GLY A 50 -1.304 16.991 0.212 1.00 0.00 N ATOM 734 CA GLY A 50 -1.677 17.197 -1.217 1.00 0.00 C ATOM 735 C GLY A 50 -1.147 16.013 -2.015 1.00 0.00 C ATOM 736 O GLY A 50 -0.982 16.070 -3.217 1.00 0.00 O ATOM 0 H GLY A 50 -0.426 16.493 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.759 17.274 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.254 18.129 -1.591 1.00 0.00 H new ATOM 740 N CYS A 51 -0.865 14.944 -1.330 1.00 0.00 N ATOM 741 CA CYS A 51 -0.326 13.736 -1.979 1.00 0.00 C ATOM 742 C CYS A 51 -1.452 12.696 -2.139 1.00 0.00 C ATOM 743 O CYS A 51 -2.534 13.025 -2.582 1.00 0.00 O ATOM 744 CB CYS A 51 0.742 13.313 -0.977 1.00 0.00 C ATOM 745 SG CYS A 51 2.376 13.780 -1.598 1.00 0.00 S ATOM 0 H CYS A 51 -0.991 14.862 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 51 0.074 13.870 -2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.559 13.788 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.697 12.236 -0.816 1.00 0.00 H new ATOM 750 N HIS A 52 -1.230 11.458 -1.780 1.00 0.00 N ATOM 751 CA HIS A 52 -2.318 10.447 -1.918 1.00 0.00 C ATOM 752 C HIS A 52 -3.300 10.592 -0.753 1.00 0.00 C ATOM 753 O HIS A 52 -3.614 9.635 -0.072 1.00 0.00 O ATOM 754 CB HIS A 52 -1.622 9.087 -1.848 1.00 0.00 C ATOM 755 CG HIS A 52 -0.752 8.887 -3.047 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.287 8.718 -4.299 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.611 8.810 -3.201 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.269 8.548 -5.160 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.913 8.597 -4.541 1.00 0.00 N ATOM 0 H HIS A 52 -0.351 11.107 -1.401 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.878 10.567 -2.845 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.022 9.024 -0.940 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.366 8.292 -1.794 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.279 8.721 -4.534 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.335 8.901 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.392 8.391 -6.221 1.00 0.00 H new ATOM 767 N ASP A 53 -3.772 11.782 -0.504 1.00 0.00 N ATOM 768 CA ASP A 53 -4.714 11.986 0.634 1.00 0.00 C ATOM 769 C ASP A 53 -6.172 11.897 0.174 1.00 0.00 C ATOM 770 O ASP A 53 -7.067 12.365 0.851 1.00 0.00 O ATOM 771 CB ASP A 53 -4.404 13.392 1.150 1.00 0.00 C ATOM 772 CG ASP A 53 -4.697 14.415 0.051 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.759 14.018 -1.101 1.00 0.00 O ATOM 774 OD2 ASP A 53 -4.855 15.579 0.381 1.00 0.00 O ATOM 0 H ASP A 53 -3.547 12.621 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.590 11.221 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.006 13.608 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.359 13.457 1.453 1.00 0.00 H new ATOM 779 N ASN A 54 -6.433 11.295 -0.954 1.00 0.00 N ATOM 780 CA ASN A 54 -7.848 11.185 -1.410 1.00 0.00 C ATOM 781 C ASN A 54 -8.533 10.036 -0.670 1.00 0.00 C ATOM 782 O ASN A 54 -8.340 8.878 -0.987 1.00 0.00 O ATOM 783 CB ASN A 54 -7.772 10.901 -2.910 1.00 0.00 C ATOM 784 CG ASN A 54 -8.433 12.045 -3.681 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.394 11.777 -4.521 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.073 13.193 -3.516 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.737 10.879 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.424 12.088 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.732 10.794 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.271 9.959 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.321 13.402 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.522 13.948 -4.034 1.00 0.00 H new ATOM 793 N MET A 55 -9.324 10.345 0.319 1.00 0.00 N ATOM 794 CA MET A 55 -10.012 9.269 1.089 1.00 0.00 C ATOM 795 C MET A 55 -11.243 8.767 0.328 1.00 0.00 C ATOM 796 O MET A 55 -12.169 8.239 0.911 1.00 0.00 O ATOM 797 CB MET A 55 -10.428 9.928 2.404 1.00 0.00 C ATOM 798 CG MET A 55 -9.418 9.573 3.496 1.00 0.00 C ATOM 799 SD MET A 55 -8.873 11.084 4.328 1.00 0.00 S ATOM 800 CE MET A 55 -7.115 10.947 3.923 1.00 0.00 C ATOM 0 H MET A 55 -9.525 11.296 0.628 1.00 0.00 H new ATOM 0 HA MET A 55 -9.368 8.404 1.249 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.480 11.010 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.424 9.592 2.692 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.870 8.891 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.563 9.056 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.536 10.860 4.842 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.952 10.064 3.306 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.797 11.835 3.377 1.00 0.00 H new ATOM 810 N ASP A 56 -11.258 8.916 -0.967 1.00 0.00 N ATOM 811 CA ASP A 56 -12.427 8.436 -1.754 1.00 0.00 C ATOM 812 C ASP A 56 -12.318 6.925 -1.957 1.00 0.00 C ATOM 813 O ASP A 56 -13.286 6.256 -2.263 1.00 0.00 O ATOM 814 CB ASP A 56 -12.335 9.169 -3.093 1.00 0.00 C ATOM 815 CG ASP A 56 -13.722 9.240 -3.733 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.623 8.598 -3.219 1.00 0.00 O ATOM 817 OD2 ASP A 56 -13.860 9.934 -4.727 1.00 0.00 O ATOM 0 H ASP A 56 -10.513 9.348 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.377 8.630 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.940 10.174 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.643 8.651 -3.757 1.00 0.00 H new ATOM 822 N LYS A 57 -11.142 6.382 -1.785 1.00 0.00 N ATOM 823 CA LYS A 57 -10.963 4.914 -1.963 1.00 0.00 C ATOM 824 C LYS A 57 -11.327 4.505 -3.392 1.00 0.00 C ATOM 825 O LYS A 57 -11.445 3.337 -3.705 1.00 0.00 O ATOM 826 CB LYS A 57 -11.922 4.278 -0.958 1.00 0.00 C ATOM 827 CG LYS A 57 -11.653 4.851 0.435 1.00 0.00 C ATOM 828 CD LYS A 57 -12.828 4.520 1.358 1.00 0.00 C ATOM 829 CE LYS A 57 -14.114 5.116 0.780 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.739 5.852 1.915 1.00 0.00 N ATOM 0 H LYS A 57 -10.298 6.893 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.933 4.598 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.954 4.473 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.792 3.196 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.730 4.435 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.516 5.931 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.930 3.440 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.645 4.920 2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.900 5.784 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.776 4.337 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.627 6.290 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.937 5.189 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.089 6.592 2.249 1.00 0.00 H new ATOM 844 N LYS A 58 -11.506 5.461 -4.264 1.00 0.00 N ATOM 845 CA LYS A 58 -11.864 5.130 -5.674 1.00 0.00 C ATOM 846 C LYS A 58 -10.993 5.930 -6.649 1.00 0.00 C ATOM 847 O LYS A 58 -10.993 5.683 -7.838 1.00 0.00 O ATOM 848 CB LYS A 58 -13.333 5.532 -5.814 1.00 0.00 C ATOM 849 CG LYS A 58 -14.173 4.774 -4.784 1.00 0.00 C ATOM 850 CD LYS A 58 -14.550 3.401 -5.343 1.00 0.00 C ATOM 851 CE LYS A 58 -15.460 2.677 -4.348 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.477 1.987 -5.190 1.00 0.00 N ATOM 0 H LYS A 58 -11.420 6.457 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.705 4.076 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.442 6.607 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.687 5.310 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.613 4.659 -3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.073 5.341 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.058 3.514 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.651 2.812 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.898 1.965 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.929 3.379 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.139 1.467 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.001 2.691 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.002 1.320 -5.832 1.00 0.00 H new ATOM 866 N ASP A 59 -10.252 6.888 -6.158 1.00 0.00 N ATOM 867 CA ASP A 59 -9.387 7.698 -7.063 1.00 0.00 C ATOM 868 C ASP A 59 -8.386 6.793 -7.785 1.00 0.00 C ATOM 869 O ASP A 59 -7.383 6.395 -7.228 1.00 0.00 O ATOM 870 CB ASP A 59 -8.659 8.680 -6.144 1.00 0.00 C ATOM 871 CG ASP A 59 -7.443 9.258 -6.873 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.457 8.551 -6.991 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.520 10.399 -7.300 1.00 0.00 O ATOM 0 H ASP A 59 -10.209 7.144 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.962 8.213 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.333 9.483 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.343 8.174 -5.232 1.00 0.00 H new ATOM 878 N LYS A 60 -8.648 6.467 -9.020 1.00 0.00 N ATOM 879 CA LYS A 60 -7.708 5.589 -9.776 1.00 0.00 C ATOM 880 C LYS A 60 -6.615 6.431 -10.438 1.00 0.00 C ATOM 881 O LYS A 60 -6.093 6.083 -11.478 1.00 0.00 O ATOM 882 CB LYS A 60 -8.571 4.902 -10.835 1.00 0.00 C ATOM 883 CG LYS A 60 -8.669 3.407 -10.523 1.00 0.00 C ATOM 884 CD LYS A 60 -7.427 2.692 -11.054 1.00 0.00 C ATOM 885 CE LYS A 60 -7.612 2.380 -12.541 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.233 2.353 -13.104 1.00 0.00 N ATOM 0 H LYS A 60 -9.472 6.770 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.206 4.869 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.566 5.347 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.138 5.050 -11.824 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.757 3.254 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.566 2.988 -10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.546 3.317 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.259 1.770 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.115 1.424 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.223 3.138 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.278 2.145 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.781 3.278 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.676 1.617 -12.624 1.00 0.00 H new ATOM 900 N SER A 61 -6.263 7.539 -9.842 1.00 0.00 N ATOM 901 CA SER A 61 -5.203 8.401 -10.437 1.00 0.00 C ATOM 902 C SER A 61 -3.933 8.340 -9.586 1.00 0.00 C ATOM 903 O SER A 61 -3.728 7.415 -8.824 1.00 0.00 O ATOM 904 CB SER A 61 -5.789 9.812 -10.426 1.00 0.00 C ATOM 905 OG SER A 61 -5.849 10.305 -11.758 1.00 0.00 O ATOM 0 H SER A 61 -6.664 7.883 -8.970 1.00 0.00 H new ATOM 0 HA SER A 61 -4.927 8.082 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.786 9.801 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.175 10.469 -9.810 1.00 0.00 H new ATOM 0 HG SER A 61 -6.226 11.210 -11.755 1.00 0.00 H new ATOM 911 N ALA A 62 -3.078 9.318 -9.708 1.00 0.00 N ATOM 912 CA ALA A 62 -1.821 9.315 -8.907 1.00 0.00 C ATOM 913 C ALA A 62 -1.991 10.179 -7.652 1.00 0.00 C ATOM 914 O ALA A 62 -1.039 10.726 -7.132 1.00 0.00 O ATOM 915 CB ALA A 62 -0.765 9.920 -9.832 1.00 0.00 C ATOM 0 H ALA A 62 -3.195 10.119 -10.328 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.547 8.315 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.194 9.954 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.673 9.307 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.062 10.931 -10.112 1.00 0.00 H new ATOM 921 N LYS A 63 -3.196 10.313 -7.166 1.00 0.00 N ATOM 922 CA LYS A 63 -3.421 11.149 -5.951 1.00 0.00 C ATOM 923 C LYS A 63 -4.354 10.436 -4.971 1.00 0.00 C ATOM 924 O LYS A 63 -4.690 10.962 -3.927 1.00 0.00 O ATOM 925 CB LYS A 63 -4.084 12.422 -6.471 1.00 0.00 C ATOM 926 CG LYS A 63 -3.571 13.628 -5.681 1.00 0.00 C ATOM 927 CD LYS A 63 -2.969 14.652 -6.645 1.00 0.00 C ATOM 928 CE LYS A 63 -3.863 15.894 -6.696 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.568 16.526 -8.012 1.00 0.00 N ATOM 0 H LYS A 63 -4.033 9.881 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.492 11.349 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.867 12.550 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.167 12.345 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.387 14.080 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.821 13.309 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.965 14.927 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.874 14.218 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.916 15.626 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.642 16.574 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.144 17.385 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.560 16.776 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.795 15.858 -8.776 1.00 0.00 H new ATOM 943 N GLY A 64 -4.787 9.250 -5.296 1.00 0.00 N ATOM 944 CA GLY A 64 -5.708 8.524 -4.378 1.00 0.00 C ATOM 945 C GLY A 64 -4.934 7.485 -3.569 1.00 0.00 C ATOM 946 O GLY A 64 -4.202 6.679 -4.106 1.00 0.00 O ATOM 0 H GLY A 64 -4.544 8.754 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.195 9.230 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.496 8.036 -4.952 1.00 0.00 H new ATOM 950 N TYR A 65 -5.106 7.493 -2.275 1.00 0.00 N ATOM 951 CA TYR A 65 -4.398 6.502 -1.420 1.00 0.00 C ATOM 952 C TYR A 65 -4.711 5.087 -1.910 1.00 0.00 C ATOM 953 O TYR A 65 -3.841 4.352 -2.331 1.00 0.00 O ATOM 954 CB TYR A 65 -4.973 6.728 -0.018 1.00 0.00 C ATOM 955 CG TYR A 65 -3.872 6.659 1.016 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.600 7.167 0.727 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.129 6.093 2.271 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.587 7.109 1.690 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.114 6.034 3.234 1.00 0.00 C ATOM 960 CZ TYR A 65 -1.844 6.542 2.943 1.00 0.00 C ATOM 961 OH TYR A 65 -0.843 6.485 3.892 1.00 0.00 O ATOM 0 H TYR A 65 -5.708 8.146 -1.773 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.314 6.616 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.465 7.699 0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.732 5.976 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.401 7.604 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.110 5.702 2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.606 7.502 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.312 5.596 4.201 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.170 5.827 3.619 1.00 0.00 H new ATOM 971 N TYR A 66 -5.957 4.709 -1.862 1.00 0.00 N ATOM 972 CA TYR A 66 -6.356 3.349 -2.321 1.00 0.00 C ATOM 973 C TYR A 66 -5.610 2.949 -3.596 1.00 0.00 C ATOM 974 O TYR A 66 -4.786 2.056 -3.590 1.00 0.00 O ATOM 975 CB TYR A 66 -7.849 3.470 -2.608 1.00 0.00 C ATOM 976 CG TYR A 66 -8.556 2.222 -2.144 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.448 1.039 -2.883 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.324 2.253 -0.978 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.109 -0.117 -2.453 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.986 1.098 -0.547 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.879 -0.087 -1.284 1.00 0.00 C ATOM 982 OH TYR A 66 -10.533 -1.226 -0.858 1.00 0.00 O ATOM 0 H TYR A 66 -6.724 5.289 -1.521 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.123 2.587 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.258 4.343 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.014 3.618 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.855 1.018 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.407 3.168 -0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.025 -1.031 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.580 1.121 0.355 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.771 -1.776 -1.633 1.00 0.00 H new ATOM 992 N HIS A 67 -5.913 3.585 -4.691 1.00 0.00 N ATOM 993 CA HIS A 67 -5.246 3.224 -5.973 1.00 0.00 C ATOM 994 C HIS A 67 -3.762 2.914 -5.761 1.00 0.00 C ATOM 995 O HIS A 67 -3.355 1.770 -5.712 1.00 0.00 O ATOM 996 CB HIS A 67 -5.401 4.453 -6.867 1.00 0.00 C ATOM 997 CG HIS A 67 -4.511 4.289 -8.064 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.762 3.338 -9.035 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.346 4.911 -8.437 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.768 3.404 -9.936 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -2.877 4.349 -9.621 1.00 0.00 N ATOM 0 H HIS A 67 -6.595 4.341 -4.755 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.691 2.330 -6.411 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.439 4.565 -7.180 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.134 5.356 -6.318 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.558 2.701 -9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.867 5.713 -7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.697 2.771 -10.808 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.951 3.926 -5.655 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.487 3.701 -5.470 1.00 0.00 C ATOM 1011 C ALA A 68 -1.224 2.628 -4.405 1.00 0.00 C ATOM 1012 O ALA A 68 -0.188 1.997 -4.395 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.938 5.051 -5.009 1.00 0.00 C ATOM 0 H ALA A 68 -3.237 4.905 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.014 3.349 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.137 4.971 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.137 5.804 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.422 5.342 -4.077 1.00 0.00 H new ATOM 1019 N MET A 69 -2.133 2.433 -3.491 1.00 0.00 N ATOM 1020 CA MET A 69 -1.899 1.419 -2.423 1.00 0.00 C ATOM 1021 C MET A 69 -2.380 0.024 -2.836 1.00 0.00 C ATOM 1022 O MET A 69 -1.819 -0.972 -2.423 1.00 0.00 O ATOM 1023 CB MET A 69 -2.701 1.928 -1.233 1.00 0.00 C ATOM 1024 CG MET A 69 -2.111 3.256 -0.762 1.00 0.00 C ATOM 1025 SD MET A 69 -1.201 3.005 0.781 1.00 0.00 S ATOM 1026 CE MET A 69 0.272 3.953 0.328 1.00 0.00 C ATOM 0 H MET A 69 -3.023 2.928 -3.436 1.00 0.00 H new ATOM 0 HA MET A 69 -0.837 1.308 -2.206 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.746 2.059 -1.513 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.677 1.198 -0.424 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.447 3.661 -1.525 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.907 3.986 -0.612 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.092 3.694 0.998 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.554 3.718 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.059 5.019 0.411 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.412 -0.074 -3.623 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.900 -1.426 -4.014 1.00 0.00 C ATOM 1038 C HIS A 70 -3.661 -1.691 -5.504 1.00 0.00 C ATOM 1039 O HIS A 70 -3.816 -2.799 -5.975 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.395 -1.408 -3.704 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.596 -1.006 -2.269 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.906 0.294 -1.904 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.530 -1.718 -1.099 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -6.012 0.325 -0.563 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.794 -0.876 -0.024 1.00 0.00 N ATOM 0 H HIS A 70 -3.935 0.712 -4.009 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.375 -2.216 -3.477 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.908 -0.709 -4.365 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.828 -2.392 -3.883 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.031 1.084 -2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.307 -2.772 -1.024 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.245 1.212 0.007 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.287 -0.689 -6.251 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.046 -0.905 -7.706 1.00 0.00 C ATOM 1055 C ASP A 71 -1.616 -1.391 -7.950 1.00 0.00 C ATOM 1056 O ASP A 71 -0.709 -1.082 -7.204 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.274 0.461 -8.347 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.777 0.731 -8.421 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.430 0.615 -7.397 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.251 1.042 -9.501 1.00 0.00 O ATOM 0 H ASP A 71 -3.139 0.264 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.704 -1.667 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.780 1.238 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.837 0.486 -9.345 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.410 -2.154 -8.991 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.041 -2.664 -9.288 1.00 0.00 C ATOM 1067 C LYS A 72 0.560 -1.902 -10.470 1.00 0.00 C ATOM 1068 O LYS A 72 1.607 -1.296 -10.364 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.236 -4.139 -9.642 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.079 -4.817 -8.562 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.518 -4.971 -9.058 1.00 0.00 C ATOM 1072 CE LYS A 72 -3.157 -6.197 -8.400 1.00 0.00 C ATOM 1073 NZ LYS A 72 -4.614 -5.894 -8.360 1.00 0.00 N ATOM 0 H LYS A 72 -2.133 -2.446 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 72 0.641 -2.534 -8.447 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.727 -4.229 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.731 -4.634 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.661 -5.794 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.060 -4.226 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.093 -4.076 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.530 -5.079 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.957 -7.102 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.760 -6.360 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.122 -6.689 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.774 -5.031 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.965 -5.750 -9.328 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.100 -1.928 -11.593 1.00 0.00 N ATOM 1088 CA GLY A 73 0.425 -1.203 -12.785 1.00 0.00 C ATOM 1089 C GLY A 73 0.376 0.302 -12.521 1.00 0.00 C ATOM 1090 O GLY A 73 -0.274 1.047 -13.228 1.00 0.00 O ATOM 0 H GLY A 73 -0.981 -2.420 -11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.449 -1.514 -12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.168 -1.449 -13.666 1.00 0.00 H new ATOM 1094 N THR A 74 1.054 0.752 -11.502 1.00 0.00 N ATOM 1095 CA THR A 74 1.045 2.206 -11.176 1.00 0.00 C ATOM 1096 C THR A 74 2.356 2.861 -11.616 1.00 0.00 C ATOM 1097 O THR A 74 3.347 2.196 -11.843 1.00 0.00 O ATOM 1098 CB THR A 74 0.920 2.259 -9.653 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.753 1.261 -9.081 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.531 2.010 -9.243 1.00 0.00 C ATOM 0 H THR A 74 1.616 0.173 -10.878 1.00 0.00 H new ATOM 0 HA THR A 74 0.238 2.736 -11.682 1.00 0.00 H new ATOM 0 HB THR A 74 1.227 3.243 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.235 0.730 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.614 2.049 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.170 2.775 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.845 1.028 -9.596 1.00 0.00 H new ATOM 1108 N LYS A 75 2.373 4.163 -11.725 1.00 0.00 N ATOM 1109 CA LYS A 75 3.622 4.864 -12.134 1.00 0.00 C ATOM 1110 C LYS A 75 4.830 4.189 -11.476 1.00 0.00 C ATOM 1111 O LYS A 75 5.902 4.116 -12.041 1.00 0.00 O ATOM 1112 CB LYS A 75 3.457 6.291 -11.606 1.00 0.00 C ATOM 1113 CG LYS A 75 4.231 7.263 -12.498 1.00 0.00 C ATOM 1114 CD LYS A 75 3.433 7.527 -13.776 1.00 0.00 C ATOM 1115 CE LYS A 75 2.431 8.654 -13.521 1.00 0.00 C ATOM 1116 NZ LYS A 75 1.173 8.208 -14.183 1.00 0.00 N ATOM 0 H LYS A 75 1.574 4.771 -11.548 1.00 0.00 H new ATOM 0 HA LYS A 75 3.784 4.842 -13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.401 6.562 -11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.821 6.354 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.408 8.198 -11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.208 6.847 -12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.106 7.800 -14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.910 6.622 -14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.280 8.814 -12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.783 9.597 -13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.437 8.930 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.345 8.070 -15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.858 7.311 -13.761 1.00 0.00 H new ATOM 1130 N PHE A 76 4.653 3.690 -10.285 1.00 0.00 N ATOM 1131 CA PHE A 76 5.777 3.008 -9.575 1.00 0.00 C ATOM 1132 C PHE A 76 5.266 1.771 -8.848 1.00 0.00 C ATOM 1133 O PHE A 76 4.077 1.529 -8.788 1.00 0.00 O ATOM 1134 CB PHE A 76 6.281 4.025 -8.559 1.00 0.00 C ATOM 1135 CG PHE A 76 6.643 5.298 -9.272 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.874 5.416 -9.924 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.733 6.361 -9.292 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.194 6.601 -10.595 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.053 7.543 -9.960 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.282 7.663 -10.612 1.00 0.00 C ATOM 0 H PHE A 76 3.774 3.724 -9.768 1.00 0.00 H new ATOM 0 HA PHE A 76 6.557 2.686 -10.265 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.514 4.219 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.149 3.630 -8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.576 4.595 -9.910 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.782 6.266 -8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.144 6.697 -11.100 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.351 8.364 -9.973 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.530 8.577 -11.131 1.00 0.00 H new ATOM 1150 N LYS A 77 6.139 0.990 -8.267 1.00 0.00 N ATOM 1151 CA LYS A 77 5.643 -0.196 -7.534 1.00 0.00 C ATOM 1152 C LYS A 77 4.895 0.280 -6.296 1.00 0.00 C ATOM 1153 O LYS A 77 5.451 0.872 -5.393 1.00 0.00 O ATOM 1154 CB LYS A 77 6.862 -1.028 -7.166 1.00 0.00 C ATOM 1155 CG LYS A 77 7.849 -0.199 -6.348 1.00 0.00 C ATOM 1156 CD LYS A 77 9.122 -1.019 -6.125 1.00 0.00 C ATOM 1157 CE LYS A 77 9.706 -1.440 -7.476 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.038 -2.733 -7.801 1.00 0.00 N ATOM 0 H LYS A 77 7.150 1.122 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 77 4.957 -0.799 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.553 -1.904 -6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.347 -1.393 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.085 0.728 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.406 0.077 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.852 -0.431 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.898 -1.900 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.508 -0.690 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.788 -1.559 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.752 -3.487 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.352 -2.967 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.543 -2.649 -8.712 1.00 0.00 H new ATOM 1172 N SER A 78 3.626 0.050 -6.287 1.00 0.00 N ATOM 1173 CA SER A 78 2.766 0.502 -5.157 1.00 0.00 C ATOM 1174 C SER A 78 2.878 -0.435 -3.955 1.00 0.00 C ATOM 1175 O SER A 78 3.616 -1.401 -3.966 1.00 0.00 O ATOM 1176 CB SER A 78 1.350 0.465 -5.726 1.00 0.00 C ATOM 1177 OG SER A 78 1.367 -0.194 -6.985 1.00 0.00 O ATOM 0 H SER A 78 3.128 -0.443 -7.028 1.00 0.00 H new ATOM 0 HA SER A 78 3.057 1.488 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.683 -0.056 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.964 1.478 -5.838 1.00 0.00 H new ATOM 0 HG SER A 78 0.599 -0.799 -7.048 1.00 0.00 H new ATOM 1183 N CYS A 79 2.140 -0.152 -2.915 1.00 0.00 N ATOM 1184 CA CYS A 79 2.185 -1.013 -1.701 1.00 0.00 C ATOM 1185 C CYS A 79 1.708 -2.424 -2.047 1.00 0.00 C ATOM 1186 O CYS A 79 2.477 -3.366 -2.059 1.00 0.00 O ATOM 1187 CB CYS A 79 1.227 -0.341 -0.717 1.00 0.00 C ATOM 1188 SG CYS A 79 1.901 1.267 -0.219 1.00 0.00 S ATOM 0 H CYS A 79 1.505 0.644 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 79 3.189 -1.111 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.248 -0.210 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.085 -0.974 0.159 1.00 0.00 H new ATOM 1193 N VAL A 80 0.448 -2.576 -2.341 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.077 -3.925 -2.699 1.00 0.00 C ATOM 1195 C VAL A 80 0.525 -4.370 -4.036 1.00 0.00 C ATOM 1196 O VAL A 80 0.695 -5.547 -4.292 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.589 -3.743 -2.826 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.191 -4.950 -3.546 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.212 -3.618 -1.429 1.00 0.00 C ATOM 0 H VAL A 80 -0.242 -1.825 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 80 0.176 -4.684 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.797 -2.838 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.269 -4.819 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.752 -5.037 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.982 -5.855 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.290 -3.488 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.003 -4.521 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.786 -2.756 -0.916 1.00 0.00 H new ATOM 1209 N GLY A 81 0.856 -3.435 -4.888 1.00 0.00 N ATOM 1210 CA GLY A 81 1.455 -3.799 -6.204 1.00 0.00 C ATOM 1211 C GLY A 81 2.847 -4.385 -5.976 1.00 0.00 C ATOM 1212 O GLY A 81 3.215 -5.383 -6.565 1.00 0.00 O ATOM 0 H GLY A 81 0.737 -2.435 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.822 -4.523 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.518 -2.919 -6.844 1.00 0.00 H new ATOM 1216 N CYS A 82 3.616 -3.788 -5.107 1.00 0.00 N ATOM 1217 CA CYS A 82 4.975 -4.329 -4.822 1.00 0.00 C ATOM 1218 C CYS A 82 4.818 -5.570 -3.955 1.00 0.00 C ATOM 1219 O CYS A 82 5.688 -6.415 -3.876 1.00 0.00 O ATOM 1220 CB CYS A 82 5.701 -3.226 -4.049 1.00 0.00 C ATOM 1221 SG CYS A 82 7.490 -3.461 -4.194 1.00 0.00 S ATOM 0 H CYS A 82 3.363 -2.950 -4.583 1.00 0.00 H new ATOM 0 HA CYS A 82 5.526 -4.603 -5.722 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.419 -2.248 -4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.405 -3.247 -3.000 1.00 0.00 H new ATOM 1226 N HIS A 83 3.694 -5.675 -3.307 1.00 0.00 N ATOM 1227 CA HIS A 83 3.426 -6.843 -2.435 1.00 0.00 C ATOM 1228 C HIS A 83 3.050 -8.053 -3.297 1.00 0.00 C ATOM 1229 O HIS A 83 3.726 -9.062 -3.289 1.00 0.00 O ATOM 1230 CB HIS A 83 2.263 -6.385 -1.557 1.00 0.00 C ATOM 1231 CG HIS A 83 2.813 -5.706 -0.335 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.108 -5.631 0.855 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.007 -5.069 -0.105 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.876 -4.974 1.740 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.044 -4.609 1.207 1.00 0.00 N ATOM 0 H HIS A 83 2.940 -4.989 -3.347 1.00 0.00 H new ATOM 0 HA HIS A 83 4.283 -7.153 -1.837 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.619 -5.701 -2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.649 -7.238 -1.270 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.175 -6.006 1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.796 -4.944 -0.831 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.584 -4.766 2.759 1.00 0.00 H new ATOM 1243 N LEU A 84 1.992 -7.956 -4.056 1.00 0.00 N ATOM 1244 CA LEU A 84 1.597 -9.089 -4.928 1.00 0.00 C ATOM 1245 C LEU A 84 2.798 -9.542 -5.763 1.00 0.00 C ATOM 1246 O LEU A 84 2.849 -10.657 -6.244 1.00 0.00 O ATOM 1247 CB LEU A 84 0.507 -8.506 -5.820 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.718 -9.415 -5.785 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.962 -8.611 -6.163 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.531 -10.564 -6.778 1.00 0.00 C ATOM 0 H LEU A 84 1.386 -7.137 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 84 1.253 -9.961 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.240 -7.505 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.872 -8.409 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.840 -9.820 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.837 -9.261 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.096 -7.794 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.841 -8.204 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.406 -11.213 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.408 -10.160 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.355 -11.139 -6.507 1.00 0.00 H new ATOM 1262 N GLU A 85 3.766 -8.683 -5.930 1.00 0.00 N ATOM 1263 CA GLU A 85 4.970 -9.056 -6.727 1.00 0.00 C ATOM 1264 C GLU A 85 6.109 -9.468 -5.790 1.00 0.00 C ATOM 1265 O GLU A 85 6.783 -10.454 -6.014 1.00 0.00 O ATOM 1266 CB GLU A 85 5.342 -7.791 -7.501 1.00 0.00 C ATOM 1267 CG GLU A 85 4.561 -7.749 -8.816 1.00 0.00 C ATOM 1268 CD GLU A 85 5.505 -7.365 -9.957 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.608 -7.884 -9.989 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.107 -6.558 -10.782 1.00 0.00 O ATOM 0 H GLU A 85 3.775 -7.737 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 85 4.783 -9.898 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.117 -6.907 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.413 -7.776 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.110 -8.721 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.747 -7.028 -8.745 1.00 0.00 H new ATOM 1277 N THR A 86 6.325 -8.724 -4.739 1.00 0.00 N ATOM 1278 CA THR A 86 7.417 -9.080 -3.787 1.00 0.00 C ATOM 1279 C THR A 86 7.173 -10.481 -3.218 1.00 0.00 C ATOM 1280 O THR A 86 8.046 -11.082 -2.624 1.00 0.00 O ATOM 1281 CB THR A 86 7.342 -8.024 -2.679 1.00 0.00 C ATOM 1282 OG1 THR A 86 7.984 -6.835 -3.119 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.037 -8.545 -1.420 1.00 0.00 C ATOM 0 H THR A 86 5.794 -7.887 -4.498 1.00 0.00 H new ATOM 0 HA THR A 86 8.398 -9.094 -4.263 1.00 0.00 H new ATOM 0 HB THR A 86 6.297 -7.813 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.395 -6.355 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.981 -7.791 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.544 -9.457 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.082 -8.759 -1.644 1.00 0.00 H new ATOM 1291 N ALA A 87 5.990 -11.004 -3.396 1.00 0.00 N ATOM 1292 CA ALA A 87 5.689 -12.364 -2.869 1.00 0.00 C ATOM 1293 C ALA A 87 6.216 -13.430 -3.833 1.00 0.00 C ATOM 1294 O ALA A 87 6.605 -14.509 -3.429 1.00 0.00 O ATOM 1295 CB ALA A 87 4.163 -12.425 -2.779 1.00 0.00 C ATOM 0 H ALA A 87 5.219 -10.547 -3.884 1.00 0.00 H new ATOM 0 HA ALA A 87 6.160 -12.549 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.860 -13.400 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.807 -11.645 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.734 -12.274 -3.769 1.00 0.00 H new ATOM 1301 N GLY A 88 6.236 -13.135 -5.101 1.00 0.00 N ATOM 1302 CA GLY A 88 6.740 -14.126 -6.094 1.00 0.00 C ATOM 1303 C GLY A 88 5.960 -15.436 -5.960 1.00 0.00 C ATOM 1304 O GLY A 88 6.474 -16.430 -5.488 1.00 0.00 O ATOM 0 H GLY A 88 5.924 -12.248 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.633 -13.730 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.803 -14.307 -5.934 1.00 0.00 H new ATOM 1308 N ALA A 89 4.723 -15.446 -6.378 1.00 0.00 N ATOM 1309 CA ALA A 89 3.911 -16.693 -6.280 1.00 0.00 C ATOM 1310 C ALA A 89 4.173 -17.396 -4.949 1.00 0.00 C ATOM 1311 O ALA A 89 4.592 -18.535 -4.904 1.00 0.00 O ATOM 1312 CB ALA A 89 4.385 -17.563 -7.435 1.00 0.00 C ATOM 0 H ALA A 89 4.240 -14.644 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 89 2.841 -16.489 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.834 -18.503 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.212 -17.043 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.450 -17.767 -7.324 1.00 0.00 H new ATOM 1318 N ASP A 90 3.924 -16.723 -3.867 1.00 0.00 N ATOM 1319 CA ASP A 90 4.149 -17.331 -2.535 1.00 0.00 C ATOM 1320 C ASP A 90 2.899 -17.151 -1.678 1.00 0.00 C ATOM 1321 O ASP A 90 2.769 -16.201 -0.932 1.00 0.00 O ATOM 1322 CB ASP A 90 5.326 -16.562 -1.955 1.00 0.00 C ATOM 1323 CG ASP A 90 5.630 -17.067 -0.544 1.00 0.00 C ATOM 1324 OD1 ASP A 90 5.135 -18.128 -0.197 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.350 -16.385 0.166 1.00 0.00 O ATOM 0 H ASP A 90 3.570 -15.767 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 90 4.353 -18.401 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.202 -16.685 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.098 -15.496 -1.929 1.00 0.00 H new ATOM 1330 N ALA A 91 1.977 -18.057 -1.800 1.00 0.00 N ATOM 1331 CA ALA A 91 0.710 -17.961 -1.016 1.00 0.00 C ATOM 1332 C ALA A 91 0.995 -17.434 0.391 1.00 0.00 C ATOM 1333 O ALA A 91 0.165 -16.790 1.002 1.00 0.00 O ATOM 1334 CB ALA A 91 0.174 -19.391 -0.954 1.00 0.00 C ATOM 0 H ALA A 91 2.043 -18.869 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.005 -17.276 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.760 -19.406 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.005 -19.756 -1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.904 -20.032 -0.461 1.00 0.00 H new ATOM 1340 N ALA A 92 2.168 -17.679 0.902 1.00 0.00 N ATOM 1341 CA ALA A 92 2.507 -17.165 2.258 1.00 0.00 C ATOM 1342 C ALA A 92 2.780 -15.668 2.158 1.00 0.00 C ATOM 1343 O ALA A 92 2.288 -14.875 2.936 1.00 0.00 O ATOM 1344 CB ALA A 92 3.768 -17.923 2.674 1.00 0.00 C ATOM 0 H ALA A 92 2.906 -18.212 0.441 1.00 0.00 H new ATOM 0 HA ALA A 92 1.707 -17.310 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.078 -17.596 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.560 -18.993 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.566 -17.721 1.960 1.00 0.00 H new ATOM 1350 N LYS A 93 3.553 -15.282 1.185 1.00 0.00 N ATOM 1351 CA LYS A 93 3.863 -13.843 0.991 1.00 0.00 C ATOM 1352 C LYS A 93 2.677 -13.145 0.324 1.00 0.00 C ATOM 1353 O LYS A 93 2.472 -11.958 0.479 1.00 0.00 O ATOM 1354 CB LYS A 93 5.076 -13.840 0.067 1.00 0.00 C ATOM 1355 CG LYS A 93 6.349 -13.737 0.902 1.00 0.00 C ATOM 1356 CD LYS A 93 6.327 -12.439 1.712 1.00 0.00 C ATOM 1357 CE LYS A 93 6.096 -12.762 3.189 1.00 0.00 C ATOM 1358 NZ LYS A 93 7.454 -13.022 3.744 1.00 0.00 N ATOM 0 H LYS A 93 3.988 -15.910 0.509 1.00 0.00 H new ATOM 0 HA LYS A 93 4.057 -13.319 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.093 -14.751 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.015 -13.003 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.428 -14.594 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.225 -13.758 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.269 -11.905 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.538 -11.782 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.612 -11.932 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.449 -13.631 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.378 -13.251 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.888 -13.821 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.046 -12.175 3.625 1.00 0.00 H new ATOM 1372 N LYS A 94 1.890 -13.879 -0.416 1.00 0.00 N ATOM 1373 CA LYS A 94 0.713 -13.260 -1.089 1.00 0.00 C ATOM 1374 C LYS A 94 -0.408 -13.033 -0.075 1.00 0.00 C ATOM 1375 O LYS A 94 -1.476 -12.561 -0.408 1.00 0.00 O ATOM 1376 CB LYS A 94 0.284 -14.268 -2.155 1.00 0.00 C ATOM 1377 CG LYS A 94 0.615 -13.715 -3.543 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.445 -14.178 -4.544 1.00 0.00 C ATOM 1379 CE LYS A 94 0.239 -14.678 -5.819 1.00 0.00 C ATOM 1380 NZ LYS A 94 -0.843 -14.724 -6.842 1.00 0.00 N ATOM 0 H LYS A 94 2.011 -14.878 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 94 0.948 -12.290 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.795 -15.218 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.785 -14.464 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.651 -12.626 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.601 -14.058 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.050 -14.973 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.121 -13.356 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.043 -14.009 -6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.683 -15.662 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.452 -15.058 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.591 -15.374 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.242 -13.772 -6.968 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.162 -13.338 1.169 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.195 -13.108 2.212 1.00 0.00 C ATOM 1396 C LYS A 95 -0.669 -12.006 3.114 1.00 0.00 C ATOM 1397 O LYS A 95 -1.382 -11.138 3.568 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.318 -14.443 2.959 1.00 0.00 C ATOM 1399 CG LYS A 95 -1.157 -14.220 4.466 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.448 -15.526 5.210 1.00 0.00 C ATOM 1401 CE LYS A 95 -2.894 -15.952 4.947 1.00 0.00 C ATOM 1402 NZ LYS A 95 -3.331 -16.620 6.204 1.00 0.00 N ATOM 0 H LYS A 95 0.713 -13.738 1.507 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.169 -12.805 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.287 -14.896 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.558 -15.139 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.145 -13.880 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.837 -13.438 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.762 -16.306 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.286 -15.392 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.524 -15.092 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.958 -16.630 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.315 -16.941 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.718 -17.438 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.266 -15.948 6.995 1.00 0.00 H new ATOM 1416 N GLU A 96 0.603 -12.056 3.349 1.00 0.00 N ATOM 1417 CA GLU A 96 1.275 -11.050 4.192 1.00 0.00 C ATOM 1418 C GLU A 96 1.396 -9.721 3.441 1.00 0.00 C ATOM 1419 O GLU A 96 1.237 -8.656 4.006 1.00 0.00 O ATOM 1420 CB GLU A 96 2.646 -11.674 4.401 1.00 0.00 C ATOM 1421 CG GLU A 96 2.721 -12.279 5.798 1.00 0.00 C ATOM 1422 CD GLU A 96 4.185 -12.482 6.194 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.907 -11.499 6.242 1.00 0.00 O ATOM 1424 OE2 GLU A 96 4.559 -13.616 6.443 1.00 0.00 O ATOM 0 H GLU A 96 1.222 -12.777 2.979 1.00 0.00 H new ATOM 0 HA GLU A 96 0.749 -10.825 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.826 -12.443 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.423 -10.920 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.228 -11.624 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.192 -13.232 5.821 1.00 0.00 H new ATOM 1431 N LEU A 97 1.695 -9.782 2.174 1.00 0.00 N ATOM 1432 CA LEU A 97 1.853 -8.538 1.369 1.00 0.00 C ATOM 1433 C LEU A 97 0.518 -8.069 0.787 1.00 0.00 C ATOM 1434 O LEU A 97 0.103 -6.948 0.997 1.00 0.00 O ATOM 1435 CB LEU A 97 2.815 -8.937 0.258 1.00 0.00 C ATOM 1436 CG LEU A 97 4.052 -9.582 0.882 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.158 -9.652 -0.161 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.526 -8.740 2.069 1.00 0.00 C ATOM 0 H LEU A 97 1.838 -10.649 1.656 1.00 0.00 H new ATOM 0 HA LEU A 97 2.219 -7.705 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.332 -9.634 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.100 -8.062 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 97 3.806 -10.586 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.044 -10.111 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.822 -10.249 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.402 -8.645 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.408 -9.201 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.775 -7.736 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.733 -8.683 2.814 1.00 0.00 H new ATOM 1450 N THR A 98 -0.146 -8.902 0.044 1.00 0.00 N ATOM 1451 CA THR A 98 -1.441 -8.477 -0.565 1.00 0.00 C ATOM 1452 C THR A 98 -2.626 -8.836 0.333 1.00 0.00 C ATOM 1453 O THR A 98 -3.729 -8.369 0.128 1.00 0.00 O ATOM 1454 CB THR A 98 -1.527 -9.241 -1.880 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.672 -10.629 -1.612 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.251 -9.005 -2.689 1.00 0.00 C ATOM 0 H THR A 98 0.146 -9.856 -0.170 1.00 0.00 H new ATOM 0 HA THR A 98 -1.479 -7.397 -0.704 1.00 0.00 H new ATOM 0 HB THR A 98 -2.387 -8.891 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.409 -10.813 -0.686 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.311 -9.551 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.142 -7.940 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.610 -9.356 -2.120 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.419 -9.657 1.319 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.551 -10.030 2.208 1.00 0.00 C ATOM 1466 C GLY A 99 -4.214 -8.762 2.747 1.00 0.00 C ATOM 1467 O GLY A 99 -3.604 -7.963 3.427 1.00 0.00 O ATOM 0 H GLY A 99 -1.522 -10.084 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.278 -10.628 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.192 -10.645 3.033 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.458 -8.565 2.442 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.159 -7.344 2.937 1.00 0.00 C ATOM 1473 C CYS A 100 -6.594 -7.519 4.387 1.00 0.00 C ATOM 1474 O CYS A 100 -6.197 -6.781 5.255 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.405 -7.170 2.073 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.225 -8.024 0.478 1.00 0.00 S ATOM 0 H CYS A 100 -6.025 -9.192 1.872 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.494 -6.482 2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.274 -7.561 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.587 -6.109 1.902 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.442 -8.463 4.649 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.929 -8.643 6.046 1.00 0.00 C ATOM 1483 C LYS A 101 -7.135 -9.723 6.789 1.00 0.00 C ATOM 1484 O LYS A 101 -7.579 -10.242 7.794 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.388 -9.068 5.898 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.293 -7.839 6.017 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.667 -7.620 7.483 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.096 -7.077 7.570 1.00 0.00 C ATOM 1489 NZ LYS A 101 -12.265 -6.665 8.990 1.00 0.00 N ATOM 0 H LYS A 101 -7.821 -9.118 3.965 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.812 -7.729 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.540 -9.553 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.645 -9.798 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.782 -6.959 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.193 -7.978 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.589 -8.558 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.972 -6.920 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.240 -6.234 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.825 -7.837 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.222 -6.282 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.129 -7.489 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.562 -5.936 9.226 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.972 -10.067 6.317 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.175 -11.116 7.021 1.00 0.00 C ATOM 1505 C GLY A 102 -3.712 -11.048 6.580 1.00 0.00 C ATOM 1506 O GLY A 102 -3.108 -12.050 6.255 1.00 0.00 O ATOM 0 H GLY A 102 -5.538 -9.674 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.245 -10.974 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.584 -12.102 6.802 1.00 0.00 H new ATOM 1510 N SER A 103 -3.140 -9.876 6.549 1.00 0.00 N ATOM 1511 CA SER A 103 -1.729 -9.752 6.115 1.00 0.00 C ATOM 1512 C SER A 103 -0.910 -8.943 7.120 1.00 0.00 C ATOM 1513 O SER A 103 -1.167 -8.950 8.307 1.00 0.00 O ATOM 1514 CB SER A 103 -1.822 -9.002 4.801 1.00 0.00 C ATOM 1515 OG SER A 103 -2.035 -7.621 5.060 1.00 0.00 O ATOM 0 H SER A 103 -3.594 -9.000 6.807 1.00 0.00 H new ATOM 0 HA SER A 103 -1.237 -10.721 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.906 -9.138 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.639 -9.401 4.199 1.00 0.00 H new ATOM 0 HG SER A 103 -2.772 -7.293 4.503 1.00 0.00 H new ATOM 1521 N LYS A 104 0.070 -8.237 6.634 1.00 0.00 N ATOM 1522 CA LYS A 104 0.923 -7.406 7.518 1.00 0.00 C ATOM 1523 C LYS A 104 0.487 -5.959 7.394 1.00 0.00 C ATOM 1524 O LYS A 104 0.683 -5.143 8.274 1.00 0.00 O ATOM 1525 CB LYS A 104 2.321 -7.566 6.941 1.00 0.00 C ATOM 1526 CG LYS A 104 2.706 -9.046 6.934 1.00 0.00 C ATOM 1527 CD LYS A 104 3.048 -9.493 8.357 1.00 0.00 C ATOM 1528 CE LYS A 104 4.513 -9.174 8.657 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.096 -10.457 9.139 1.00 0.00 N ATOM 0 H LYS A 104 0.318 -8.202 5.645 1.00 0.00 H new ATOM 0 HA LYS A 104 0.867 -7.693 8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.355 -7.166 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.037 -6.996 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.884 -9.644 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.560 -9.207 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.401 -8.987 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.869 -10.563 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.029 -8.816 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.600 -8.393 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.040 -10.281 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.480 -10.865 9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.176 -11.122 8.344 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.087 -5.646 6.275 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.536 -4.262 6.013 1.00 0.00 C ATOM 1545 C CYS A 105 -1.867 -3.986 6.719 1.00 0.00 C ATOM 1546 O CYS A 105 -2.147 -2.876 7.122 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.701 -4.224 4.497 1.00 0.00 C ATOM 1548 SG CYS A 105 0.044 -2.707 3.843 1.00 0.00 S ATOM 0 H CYS A 105 -0.267 -6.304 5.517 1.00 0.00 H new ATOM 0 HA CYS A 105 0.159 -3.507 6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.228 -5.097 4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.758 -4.264 4.235 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.691 -4.987 6.874 1.00 0.00 N ATOM 1554 CA HIS A 106 -4.001 -4.774 7.555 1.00 0.00 C ATOM 1555 C HIS A 106 -4.083 -5.634 8.820 1.00 0.00 C ATOM 1556 O HIS A 106 -4.709 -6.675 8.834 1.00 0.00 O ATOM 1557 CB HIS A 106 -5.050 -5.218 6.537 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.406 -4.062 5.641 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.387 -2.754 6.096 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.744 -3.993 4.305 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.691 -1.957 5.059 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.910 -2.653 3.942 1.00 0.00 N ATOM 0 H HIS A 106 -2.515 -5.941 6.559 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.145 -3.739 7.864 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.666 -6.047 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.940 -5.580 7.051 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.179 -2.451 7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.862 -4.839 3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.751 -0.880 5.122 1.00 0.00 H new ATOM 1570 N SER A 107 -3.457 -5.206 9.883 1.00 0.00 N ATOM 1571 CA SER A 107 -3.501 -6.000 11.144 1.00 0.00 C ATOM 1572 C SER A 107 -4.839 -5.788 11.855 1.00 0.00 C ATOM 1573 O SER A 107 -5.491 -4.796 11.569 1.00 0.00 O ATOM 1574 CB SER A 107 -2.352 -5.458 11.992 1.00 0.00 C ATOM 1575 OG SER A 107 -1.353 -4.916 11.138 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.192 -6.620 12.674 1.00 0.00 O ATOM 0 H SER A 107 -2.918 -4.342 9.933 1.00 0.00 H new ATOM 0 HA SER A 107 -3.404 -7.070 10.962 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.719 -4.691 12.674 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.930 -6.254 12.605 1.00 0.00 H new ATOM 0 HG SER A 107 -0.615 -4.566 11.679 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.252 6.610 3.330 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.766 8.145 5.015 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.405 8.971 4.434 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.760 5.074 1.678 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.091 4.287 2.265 1.00 0.00 C HETATM 1588 NA HEC A 201 9.109 8.196 4.431 1.00 0.00 N HETATM 1589 C1A HEC A 201 8.003 8.660 5.100 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.294 9.730 5.986 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.586 9.984 5.848 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.099 9.060 4.845 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.294 10.922 6.796 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.338 10.381 6.973 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.468 11.426 6.277 1.00 0.00 C HETATM 1596 CGA HEC A 201 6.761 12.809 6.862 1.00 0.00 C HETATM 1597 O1A HEC A 201 7.752 13.400 6.467 1.00 0.00 O HETATM 1598 O2A HEC A 201 5.988 13.253 7.696 1.00 0.00 O HETATM 1599 NB HEC A 201 11.145 6.941 3.111 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.898 7.974 3.628 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.285 7.867 3.231 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.383 6.768 2.461 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.060 6.204 2.388 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.416 8.807 3.609 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.634 6.219 1.791 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.690 5.730 2.785 1.00 0.00 C HETATM 1607 NC HEC A 201 9.405 5.017 2.244 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.520 4.509 1.618 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.209 3.343 0.831 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.888 3.158 0.972 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.399 4.174 1.862 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.173 2.501 0.010 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.020 2.143 0.267 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.500 0.707 0.479 1.00 0.00 C HETATM 1615 ND HEC A 201 7.354 6.293 3.578 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.599 5.251 3.111 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.236 5.333 3.608 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.156 6.490 4.289 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.460 7.044 4.292 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.158 4.271 3.535 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.962 7.171 4.929 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.441 6.361 6.116 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.393 7.182 6.871 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.162 8.314 6.480 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.841 6.664 7.828 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.959 4.026 2.492 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.492 3.377 4.061 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.246 4.646 4.000 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.641 3.123 -0.753 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.942 2.088 0.663 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.628 1.688 -0.469 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.190 9.811 3.250 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.527 8.825 4.693 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.344 8.460 3.155 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.833 11.908 6.744 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.216 10.538 7.813 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.345 10.998 6.516 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 3.004 5.425 5.768 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.264 6.101 6.782 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.515 0.602 0.095 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.489 0.473 1.544 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.839 0.021 -0.050 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.998 6.557 3.425 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.271 4.933 3.399 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.555 5.352 2.240 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.666 11.424 5.205 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.414 11.181 6.406 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.244 8.170 5.261 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.169 7.292 4.191 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.705 9.620 7.429 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.903 10.850 7.778 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.385 3.551 1.882 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.566 4.593 1.123 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.098 9.743 4.769 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.963 8.642 5.559 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.965 8.523 -5.355 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.828 8.083 -8.483 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.866 5.198 -4.931 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.238 8.879 -2.271 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.724 11.852 -5.723 1.00 0.00 C HETATM 1663 NA HEC A 202 2.450 7.017 -6.432 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.876 7.021 -7.665 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.299 5.762 -7.979 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.627 4.930 -7.003 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.368 5.704 -6.068 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.226 3.478 -6.888 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.453 5.406 -9.167 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.622 6.446 -9.487 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.298 6.088 -10.811 1.00 0.00 C HETATM 1672 O1A HEC A 202 -2.361 6.625 -11.074 1.00 0.00 O HETATM 1673 O2A HEC A 202 -0.741 5.284 -11.540 1.00 0.00 O HETATM 1674 NB HEC A 202 3.514 7.318 -3.974 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.420 5.946 -3.957 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.835 5.375 -2.720 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.186 6.395 -1.943 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.008 7.607 -2.723 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.846 3.899 -2.351 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.622 6.222 -0.508 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.140 6.126 -0.370 1.00 0.00 C HETATM 1682 NC HEC A 202 3.424 10.037 -4.252 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.985 10.022 -2.995 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.136 11.353 -2.479 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.595 12.178 -3.397 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.209 11.367 -4.522 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.790 11.754 -1.167 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.264 13.629 -3.163 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.514 14.474 -2.903 1.00 0.00 C HETATM 1690 ND HEC A 202 2.414 9.702 -6.791 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.376 11.074 -6.807 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.111 11.562 -8.153 1.00 0.00 C HETATM 1693 C3D HEC A 202 2.017 10.470 -8.940 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.116 9.347 -8.080 1.00 0.00 C HETATM 1695 CMD HEC A 202 1.968 12.997 -8.622 1.00 0.00 C HETATM 1696 CAD HEC A 202 2.049 10.352 -10.452 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.368 10.901 -10.990 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.192 11.314 -12.453 1.00 0.00 C HETATM 1699 O1D HEC A 202 4.194 11.428 -13.141 1.00 0.00 O HETATM 1700 O2D HEC A 202 2.059 11.508 -12.861 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.140 13.471 -8.095 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.889 13.541 -8.414 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.772 13.012 -9.694 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.260 11.285 -0.338 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.830 11.427 -1.164 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.750 12.838 -1.057 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.834 3.500 -2.416 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.494 3.357 -3.039 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.218 3.781 -1.333 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.139 3.402 -6.854 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.602 2.927 -7.751 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.648 3.055 -5.976 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.687 11.757 -10.396 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.149 10.146 -10.906 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 5.030 14.098 -2.019 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.179 14.414 -3.764 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.224 15.512 -2.740 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.504 5.270 -0.938 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.599 7.037 -0.754 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.403 6.002 0.681 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.361 6.479 -8.686 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.176 7.438 -9.551 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.933 9.309 -10.746 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.213 10.901 -10.886 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.097 5.282 -10.037 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.026 4.444 -8.986 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.608 12.931 -5.820 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.650 8.994 -1.268 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.820 4.119 -4.786 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.544 7.923 -9.523 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.763 -3.468 2.148 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.660 -6.080 4.078 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.548 -2.471 4.477 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.019 -0.733 0.321 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.117 -4.332 -0.128 1.00 0.00 C HETATM 1738 NA HEC A 203 5.228 -4.125 3.898 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.692 -5.235 4.565 1.00 0.00 C HETATM 1740 C2A HEC A 203 4.996 -5.412 5.818 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.103 -4.415 5.914 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.257 -3.615 4.730 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.115 -4.208 7.049 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.193 -6.501 6.853 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.666 -6.897 6.970 1.00 0.00 C HETATM 1746 CGA HEC A 203 7.003 -7.185 8.434 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.395 -6.569 9.294 1.00 0.00 O HETATM 1748 O2A HEC A 203 7.866 -8.016 8.671 1.00 0.00 O HETATM 1749 NB HEC A 203 4.602 -1.920 2.382 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.729 -1.662 3.404 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.024 -0.420 3.215 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.468 0.071 2.052 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.437 -0.853 1.547 1.00 0.00 C HETATM 1754 CMB HEC A 203 1.985 0.191 4.141 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.938 1.240 1.265 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.915 2.418 1.176 1.00 0.00 C HETATM 1757 NC HEC A 203 6.371 -2.741 0.449 1.00 0.00 N HETATM 1758 C1C HEC A 203 5.914 -1.620 -0.200 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.547 -1.447 -1.475 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.430 -2.452 -1.597 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.333 -3.240 -0.397 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.259 -0.348 -2.485 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.333 -2.699 -2.785 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.816 -1.366 -3.358 1.00 0.00 C HETATM 1765 ND HEC A 203 7.058 -4.922 1.981 1.00 0.00 N HETATM 1766 C1D HEC A 203 7.996 -5.120 0.991 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.844 -6.248 1.291 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.397 -6.771 2.444 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.302 -5.938 2.875 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.061 -6.724 0.519 1.00 0.00 C HETATM 1771 CAD HEC A 203 8.953 -7.998 3.146 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.790 -9.246 2.276 1.00 0.00 C HETATM 1773 CGD HEC A 203 10.028 -10.134 2.421 1.00 0.00 C HETATM 1774 O1D HEC A 203 10.289 -10.577 3.528 1.00 0.00 O HETATM 1775 O2D HEC A 203 10.694 -10.356 1.424 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.769 -6.978 -0.500 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.809 -5.932 0.495 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.480 -7.604 1.007 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.214 -0.398 -2.789 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.459 0.623 -2.033 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 6.898 -0.480 -3.358 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.143 -0.493 4.245 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.430 0.370 5.120 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.635 1.135 3.723 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.458 -5.075 7.123 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.658 -4.084 7.986 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.519 -3.317 6.854 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.898 -9.796 2.574 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 8.654 -8.960 1.233 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 7.958 -0.774 -3.676 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.369 -0.821 -2.594 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.466 -1.552 -4.213 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 4.142 2.779 2.179 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.835 2.092 0.691 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.464 3.222 0.594 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.866 -7.778 6.360 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.300 -6.096 6.591 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.008 -7.844 3.375 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.439 -8.143 4.096 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.829 -6.156 7.821 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.600 -7.374 6.582 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.889 -4.593 -0.852 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.751 0.132 -0.285 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.778 -2.189 5.195 1.00 0.00 H new HETATM 0 HHA HEC A 203 6.940 -6.932 4.698 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.887 -1.732 1.985 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.610 1.259 3.367 1.00 0.00 C HETATM 1810 CHB HEC A 204 -9.127 -2.201 1.281 1.00 0.00 C HETATM 1811 CHC HEC A 204 -5.135 -4.819 0.862 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.600 -1.118 2.429 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.506 -0.752 2.353 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.642 0.468 2.973 1.00 0.00 C HETATM 1815 C2A HEC A 204 -9.002 0.913 3.025 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.734 -0.049 2.420 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.796 -1.077 1.999 1.00 0.00 C HETATM 1818 CMA HEC A 204 -11.241 -0.054 2.213 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.462 2.232 3.636 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.295 3.037 2.639 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.548 4.439 3.197 1.00 0.00 C HETATM 1822 O1A HEC A 204 -11.164 4.535 4.245 1.00 0.00 O HETATM 1823 O2A HEC A 204 -10.120 5.392 2.567 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.898 -3.167 1.216 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.233 -3.168 0.881 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.574 -4.328 0.089 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.445 -5.059 0.026 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.426 -4.357 0.731 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.920 -4.654 -0.537 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.245 -6.472 -0.446 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.761 -6.510 -1.892 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.249 -2.719 1.657 1.00 0.00 N HETATM 1833 C1C HEC A 204 -4.108 -4.033 1.277 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.742 -4.481 1.362 1.00 0.00 C HETATM 1835 C3C HEC A 204 -2.046 -3.423 1.803 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.965 -2.335 1.933 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.212 -5.867 1.035 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.626 -3.373 2.304 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.418 -3.336 1.187 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.845 -0.248 2.672 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.477 -0.129 2.762 1.00 0.00 C HETATM 1842 C2D HEC A 204 -3.087 1.139 3.326 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.229 1.796 3.589 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.300 0.934 3.201 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.673 1.631 3.586 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.385 3.189 4.158 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.933 3.232 5.616 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.664 4.363 6.338 1.00 0.00 C HETATM 1849 O1D HEC A 204 -5.587 4.068 7.080 1.00 0.00 O HETATM 1850 O2D HEC A 204 -4.288 5.506 6.138 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.173 0.953 4.278 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.120 1.663 2.647 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.709 2.630 4.019 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.695 -6.602 1.679 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.426 -6.102 -0.008 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.135 -5.893 1.199 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.676 -4.732 0.245 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -10.199 -3.863 -1.233 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.853 -5.601 -1.072 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.741 -0.011 3.180 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.529 0.812 1.616 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.534 -0.966 1.694 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.143 2.279 6.102 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.855 3.387 5.670 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.323 -4.230 0.570 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.260 -2.451 0.570 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.416 -3.301 1.623 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.499 -6.031 -2.535 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.812 -5.980 -1.972 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.626 -7.546 -2.203 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.774 3.103 1.684 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -11.243 2.533 2.451 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.799 3.895 3.570 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.427 3.502 4.086 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.051 2.036 4.532 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.595 2.815 3.945 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.537 -0.923 2.568 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.928 -5.862 0.622 1.00 0.00 H new HETATM 0 HHB HEC A 204 -10.174 -2.337 1.008 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.846 2.210 3.844 1.00 0.00 H new