USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 919 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 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 65 TYR OH : rot -134:sc= 0.856 USER MOD Set 1.2: A 111 HEC O2D : rot 90:sc= -1.47! USER MOD Set 2.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 21 ASN : amide:sc= -0.629 K(o=-0.2,f=-3.5!) USER MOD Set 3.2: A 24 THR OG1 : rot -20:sc= 0.432 USER MOD Single : A 1 ALA N :NH3+ -106:sc= -5.87! (180deg=-13.5!) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00538) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.029 (180deg=-0.381) USER MOD Single : A 11 MET CE :methyl 180:sc= -0.261 (180deg=-0.261) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.5) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00323 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc=-0.000927 F(o=-0.86,f=-0.00093) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0276) USER MOD Single : A 43 TYR OH : rot 134:sc= -2.22 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.172 (180deg=-0.856) USER MOD Single : A 48 THR OG1 : rot 177:sc= -2.18! USER MOD Single : A 54 SER OG : rot 167:sc= 0.578 USER MOD Single : A 55 MET CE :methyl 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= 0.168 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-9.7!) USER MOD Single : A 69 MET CE :methyl -168:sc= -7.11! (180deg=-8.43!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0689 K(o=-0.069,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= -0.0723 (180deg=-0.425) USER MOD Single : A 78 SER OG : rot -166:sc= 1.49 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= -0.835 (180deg=-0.949) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0823) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 171:sc= -1.99! USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.825 (180deg=-1.05) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 38:sc= 1.05 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 180:sc= -0.309 USER MOD Single : A 108 HEC O2D : rot 83:sc= 0.468 USER MOD Single : A 109 HEC O2A : rot -130:sc= 0.824 USER MOD Single : A 109 HEC O2D : rot 180:sc= -0.0478 USER MOD Single : A 110 HEC O2A : rot 180:sc= 0 USER MOD Single : A 110 HEC O2D : rot 165:sc= -0.0915 USER MOD Single : A 111 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.554 -9.923 -2.029 1.00 0.00 N ATOM 2 CA ALA A 1 -5.377 -11.364 -2.066 1.00 0.00 C ATOM 3 C ALA A 1 -4.424 -11.727 -3.207 1.00 0.00 C ATOM 4 O ALA A 1 -4.043 -10.896 -4.028 1.00 0.00 O ATOM 5 CB ALA A 1 -6.741 -12.043 -2.207 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.030 -9.530 -1.221 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.194 -9.506 -2.911 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.565 -9.700 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.931 -11.720 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.608 -13.124 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.370 -11.776 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.218 -11.712 -3.129 1.00 0.00 H new ATOM 13 N PRO A 2 -4.044 -13.007 -3.239 1.00 0.00 N ATOM 14 CA PRO A 2 -3.151 -13.568 -4.230 1.00 0.00 C ATOM 15 C PRO A 2 -3.593 -13.132 -5.620 1.00 0.00 C ATOM 16 O PRO A 2 -4.762 -13.317 -5.957 1.00 0.00 O ATOM 17 CB PRO A 2 -3.282 -15.080 -4.063 1.00 0.00 C ATOM 18 CG PRO A 2 -3.590 -15.224 -2.573 1.00 0.00 C ATOM 19 CD PRO A 2 -4.472 -14.010 -2.289 1.00 0.00 C ATOM 0 HA PRO A 2 -2.119 -13.239 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.079 -15.489 -4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.365 -15.600 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.107 -16.159 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.682 -15.214 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.527 -14.250 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.346 -13.662 -1.264 1.00 0.00 H new ATOM 27 N LYS A 3 -2.670 -12.571 -6.388 1.00 0.00 N ATOM 28 CA LYS A 3 -2.989 -12.119 -7.731 1.00 0.00 C ATOM 29 C LYS A 3 -3.508 -10.681 -7.671 1.00 0.00 C ATOM 30 O LYS A 3 -4.057 -10.258 -6.655 1.00 0.00 O ATOM 31 CB LYS A 3 -3.954 -13.093 -8.410 1.00 0.00 C ATOM 32 CG LYS A 3 -3.604 -14.542 -8.064 1.00 0.00 C ATOM 33 CD LYS A 3 -3.514 -15.401 -9.326 1.00 0.00 C ATOM 34 CE LYS A 3 -2.078 -15.868 -9.570 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.214 -14.722 -9.930 1.00 0.00 N ATOM 0 H LYS A 3 -1.702 -12.419 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.093 -12.110 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.975 -12.877 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.916 -12.954 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.654 -14.573 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.359 -14.952 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.170 -16.266 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.865 -14.829 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.691 -16.356 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.061 -16.609 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.255 -15.063 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.604 -14.243 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.176 -14.053 -9.135 1.00 0.00 H new ATOM 49 N ALA A 4 -3.316 -9.969 -8.772 1.00 0.00 N ATOM 50 CA ALA A 4 -3.758 -8.588 -8.857 1.00 0.00 C ATOM 51 C ALA A 4 -4.887 -8.480 -9.884 1.00 0.00 C ATOM 52 O ALA A 4 -4.669 -8.248 -11.071 1.00 0.00 O ATOM 53 CB ALA A 4 -2.568 -7.691 -9.202 1.00 0.00 C ATOM 0 H ALA A 4 -2.860 -10.323 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.152 -8.252 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.900 -6.655 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.807 -7.781 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.148 -7.997 -10.160 1.00 0.00 H new ATOM 59 N PRO A 5 -6.116 -8.658 -9.393 1.00 0.00 N ATOM 60 CA PRO A 5 -7.327 -8.598 -10.183 1.00 0.00 C ATOM 61 C PRO A 5 -7.227 -7.456 -11.184 1.00 0.00 C ATOM 62 O PRO A 5 -6.385 -6.578 -11.001 1.00 0.00 O ATOM 63 CB PRO A 5 -8.442 -8.344 -9.171 1.00 0.00 C ATOM 64 CG PRO A 5 -7.927 -9.069 -7.939 1.00 0.00 C ATOM 65 CD PRO A 5 -6.408 -8.934 -8.003 1.00 0.00 C ATOM 0 HA PRO A 5 -7.506 -9.508 -10.756 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.589 -7.280 -8.986 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.398 -8.744 -9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.324 -8.625 -7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.230 -10.116 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.056 -8.129 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.916 -9.848 -7.670 1.00 0.00 H new ATOM 73 N ALA A 6 -8.069 -7.487 -12.206 1.00 0.00 N ATOM 74 CA ALA A 6 -8.056 -6.445 -13.219 1.00 0.00 C ATOM 75 C ALA A 6 -8.937 -5.282 -12.760 1.00 0.00 C ATOM 76 O ALA A 6 -9.812 -5.458 -11.913 1.00 0.00 O ATOM 77 CB ALA A 6 -8.511 -7.029 -14.558 1.00 0.00 C ATOM 0 H ALA A 6 -8.765 -8.218 -12.355 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.047 -6.058 -13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.501 -6.248 -15.318 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.835 -7.831 -14.854 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.522 -7.425 -14.458 1.00 0.00 H new ATOM 83 N ASP A 7 -8.676 -4.119 -13.340 1.00 0.00 N ATOM 84 CA ASP A 7 -9.435 -2.928 -13.001 1.00 0.00 C ATOM 85 C ASP A 7 -10.925 -3.271 -12.962 1.00 0.00 C ATOM 86 O ASP A 7 -11.329 -4.348 -13.396 1.00 0.00 O ATOM 87 CB ASP A 7 -9.230 -1.828 -14.045 1.00 0.00 C ATOM 88 CG ASP A 7 -7.839 -1.792 -14.681 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.859 -1.798 -13.904 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.786 -1.760 -15.929 1.00 0.00 O ATOM 0 H ASP A 7 -7.950 -3.977 -14.042 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.089 -2.573 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.971 -1.954 -14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.424 -0.863 -13.577 1.00 0.00 H new ATOM 95 N GLY A 8 -11.702 -2.334 -12.439 1.00 0.00 N ATOM 96 CA GLY A 8 -13.139 -2.523 -12.338 1.00 0.00 C ATOM 97 C GLY A 8 -13.601 -2.455 -10.881 1.00 0.00 C ATOM 98 O GLY A 8 -14.752 -2.763 -10.575 1.00 0.00 O ATOM 0 H GLY A 8 -11.363 -1.441 -12.080 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.652 -1.758 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.413 -3.487 -12.765 1.00 0.00 H new ATOM 102 N LEU A 9 -12.679 -2.050 -10.020 1.00 0.00 N ATOM 103 CA LEU A 9 -12.976 -1.937 -8.602 1.00 0.00 C ATOM 104 C LEU A 9 -13.182 -0.464 -8.244 1.00 0.00 C ATOM 105 O LEU A 9 -12.330 0.374 -8.537 1.00 0.00 O ATOM 106 CB LEU A 9 -11.893 -2.627 -7.771 1.00 0.00 C ATOM 107 CG LEU A 9 -10.988 -1.705 -6.951 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.681 -1.260 -5.662 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.636 -2.367 -6.675 1.00 0.00 C ATOM 0 H LEU A 9 -11.725 -1.796 -10.277 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.905 -2.455 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.376 -3.328 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.267 -3.215 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.794 -0.808 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.016 -0.606 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.596 -0.722 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.925 -2.135 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.012 -1.691 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.790 -3.291 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.141 -2.592 -7.620 1.00 0.00 H new ATOM 121 N LYS A 10 -14.316 -0.193 -7.616 1.00 0.00 N ATOM 122 CA LYS A 10 -14.644 1.164 -7.215 1.00 0.00 C ATOM 123 C LYS A 10 -15.224 1.147 -5.799 1.00 0.00 C ATOM 124 O LYS A 10 -16.068 0.311 -5.480 1.00 0.00 O ATOM 125 CB LYS A 10 -15.562 1.821 -8.248 1.00 0.00 C ATOM 126 CG LYS A 10 -17.026 1.452 -7.994 1.00 0.00 C ATOM 127 CD LYS A 10 -17.274 -0.031 -8.278 1.00 0.00 C ATOM 128 CE LYS A 10 -18.639 -0.242 -8.936 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.651 0.333 -10.299 1.00 0.00 N ATOM 0 H LYS A 10 -15.020 -0.891 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.745 1.780 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.444 2.904 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.272 1.505 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.287 1.677 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.673 2.060 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.489 -0.417 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.223 -0.597 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.866 -1.307 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.417 0.224 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.343 -0.176 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.913 1.338 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.706 0.242 -10.723 1.00 0.00 H new ATOM 143 N MET A 11 -14.748 2.080 -4.988 1.00 0.00 N ATOM 144 CA MET A 11 -15.209 2.183 -3.614 1.00 0.00 C ATOM 145 C MET A 11 -16.256 3.289 -3.467 1.00 0.00 C ATOM 146 O MET A 11 -15.938 4.470 -3.591 1.00 0.00 O ATOM 147 CB MET A 11 -14.020 2.481 -2.697 1.00 0.00 C ATOM 148 CG MET A 11 -12.786 1.684 -3.124 1.00 0.00 C ATOM 149 SD MET A 11 -12.096 0.827 -1.718 1.00 0.00 S ATOM 150 CE MET A 11 -11.121 2.140 -1.003 1.00 0.00 C ATOM 0 H MET A 11 -14.048 2.772 -5.256 1.00 0.00 H new ATOM 0 HA MET A 11 -15.668 1.235 -3.333 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.795 3.547 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.279 2.234 -1.668 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.056 0.968 -3.900 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.041 2.354 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.618 1.774 -0.108 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.377 2.476 -1.726 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.772 2.973 -0.738 1.00 0.00 H new ATOM 160 N GLU A 12 -17.485 2.865 -3.207 1.00 0.00 N ATOM 161 CA GLU A 12 -18.580 3.805 -3.043 1.00 0.00 C ATOM 162 C GLU A 12 -19.481 3.373 -1.884 1.00 0.00 C ATOM 163 O GLU A 12 -20.694 3.251 -2.047 1.00 0.00 O ATOM 164 CB GLU A 12 -19.383 3.943 -4.338 1.00 0.00 C ATOM 165 CG GLU A 12 -20.114 2.641 -4.672 1.00 0.00 C ATOM 166 CD GLU A 12 -21.560 2.915 -5.089 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.223 3.686 -4.363 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.969 2.347 -6.125 1.00 0.00 O ATOM 0 H GLU A 12 -17.746 1.884 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.161 4.783 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.105 4.754 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.715 4.210 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.592 2.123 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.101 1.980 -3.806 1.00 0.00 H new ATOM 175 N ALA A 13 -18.852 3.154 -0.738 1.00 0.00 N ATOM 176 CA ALA A 13 -19.581 2.738 0.448 1.00 0.00 C ATOM 177 C ALA A 13 -20.196 3.967 1.120 1.00 0.00 C ATOM 178 O ALA A 13 -21.085 3.840 1.961 1.00 0.00 O ATOM 179 CB ALA A 13 -18.643 1.971 1.382 1.00 0.00 C ATOM 0 H ALA A 13 -17.846 3.257 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.396 2.065 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.190 1.659 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.256 1.092 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.813 2.615 1.674 1.00 0.00 H new ATOM 185 N THR A 14 -19.698 5.130 0.725 1.00 0.00 N ATOM 186 CA THR A 14 -20.188 6.381 1.279 1.00 0.00 C ATOM 187 C THR A 14 -20.928 7.185 0.208 1.00 0.00 C ATOM 188 O THR A 14 -21.416 6.621 -0.771 1.00 0.00 O ATOM 189 CB THR A 14 -18.997 7.127 1.885 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.395 7.782 0.772 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.909 6.179 2.393 1.00 0.00 C ATOM 0 H THR A 14 -18.960 5.232 0.028 1.00 0.00 H new ATOM 0 HA THR A 14 -20.917 6.205 2.070 1.00 0.00 H new ATOM 0 HB THR A 14 -19.342 7.756 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.615 8.291 1.075 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.088 6.760 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.324 5.528 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.539 5.573 1.566 1.00 0.00 H new ATOM 199 N LYS A 15 -20.988 8.490 0.430 1.00 0.00 N ATOM 200 CA LYS A 15 -21.660 9.377 -0.504 1.00 0.00 C ATOM 201 C LYS A 15 -20.650 9.885 -1.535 1.00 0.00 C ATOM 202 O LYS A 15 -20.787 10.995 -2.049 1.00 0.00 O ATOM 203 CB LYS A 15 -22.387 10.495 0.247 1.00 0.00 C ATOM 204 CG LYS A 15 -23.353 9.920 1.285 1.00 0.00 C ATOM 205 CD LYS A 15 -24.541 10.857 1.507 1.00 0.00 C ATOM 206 CE LYS A 15 -25.040 10.778 2.951 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.464 11.174 3.030 1.00 0.00 N ATOM 0 H LYS A 15 -20.582 8.954 1.243 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.433 8.838 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.659 11.140 0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.936 11.116 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.711 8.945 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.828 9.763 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.249 11.881 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.349 10.593 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -24.917 9.763 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.439 11.430 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -26.787 11.115 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.572 12.150 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -27.035 10.536 2.440 1.00 0.00 H new ATOM 221 N GLN A 16 -19.660 9.049 -1.808 1.00 0.00 N ATOM 222 CA GLN A 16 -18.627 9.399 -2.769 1.00 0.00 C ATOM 223 C GLN A 16 -17.950 8.136 -3.304 1.00 0.00 C ATOM 224 O GLN A 16 -17.143 7.495 -2.635 1.00 0.00 O ATOM 225 CB GLN A 16 -17.602 10.351 -2.149 1.00 0.00 C ATOM 226 CG GLN A 16 -17.830 11.787 -2.623 1.00 0.00 C ATOM 227 CD GLN A 16 -17.722 11.886 -4.146 1.00 0.00 C ATOM 228 OE1 GLN A 16 -17.172 11.024 -4.812 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.276 12.982 -4.658 1.00 0.00 N ATOM 0 H GLN A 16 -19.551 8.129 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.096 9.918 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.671 10.308 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.595 10.031 -2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.814 12.128 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.097 12.447 -2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.720 13.664 -4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.256 13.140 -5.665 1.00 0.00 H new ATOM 238 N PRO A 17 -18.302 7.790 -4.544 1.00 0.00 N ATOM 239 CA PRO A 17 -17.785 6.635 -5.247 1.00 0.00 C ATOM 240 C PRO A 17 -16.444 6.981 -5.880 1.00 0.00 C ATOM 241 O PRO A 17 -16.413 7.808 -6.791 1.00 0.00 O ATOM 242 CB PRO A 17 -18.831 6.326 -6.315 1.00 0.00 C ATOM 243 CG PRO A 17 -19.312 7.751 -6.676 1.00 0.00 C ATOM 244 CD PRO A 17 -19.249 8.521 -5.359 1.00 0.00 C ATOM 0 HA PRO A 17 -17.617 5.780 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.404 5.805 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.639 5.702 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.673 8.206 -7.433 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.324 7.738 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.923 9.549 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.228 8.567 -4.881 1.00 0.00 H new ATOM 252 N VAL A 18 -15.381 6.357 -5.396 1.00 0.00 N ATOM 253 CA VAL A 18 -14.054 6.617 -5.929 1.00 0.00 C ATOM 254 C VAL A 18 -13.501 5.335 -6.555 1.00 0.00 C ATOM 255 O VAL A 18 -13.322 4.331 -5.867 1.00 0.00 O ATOM 256 CB VAL A 18 -13.151 7.184 -4.832 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.691 7.217 -5.286 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.622 8.574 -4.398 1.00 0.00 C ATOM 0 H VAL A 18 -15.411 5.672 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.099 7.370 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.218 6.523 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.071 7.624 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.360 6.206 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.600 7.845 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.963 8.954 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.599 9.249 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.640 8.510 -4.014 1.00 0.00 H new ATOM 268 N VAL A 19 -13.246 5.411 -7.853 1.00 0.00 N ATOM 269 CA VAL A 19 -12.717 4.269 -8.580 1.00 0.00 C ATOM 270 C VAL A 19 -11.195 4.233 -8.426 1.00 0.00 C ATOM 271 O VAL A 19 -10.556 5.275 -8.290 1.00 0.00 O ATOM 272 CB VAL A 19 -13.169 4.324 -10.040 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.163 5.095 -10.897 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.397 2.917 -10.596 1.00 0.00 C ATOM 0 H VAL A 19 -13.396 6.245 -8.420 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.108 3.339 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.119 4.858 -10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.509 5.119 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.071 6.114 -10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.192 4.602 -10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.718 2.984 -11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.469 2.348 -10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.167 2.415 -10.010 1.00 0.00 H new ATOM 284 N PHE A 20 -10.658 3.022 -8.453 1.00 0.00 N ATOM 285 CA PHE A 20 -9.223 2.836 -8.318 1.00 0.00 C ATOM 286 C PHE A 20 -8.758 1.590 -9.074 1.00 0.00 C ATOM 287 O PHE A 20 -9.187 0.478 -8.770 1.00 0.00 O ATOM 288 CB PHE A 20 -8.935 2.650 -6.827 1.00 0.00 C ATOM 289 CG PHE A 20 -7.821 1.644 -6.529 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.101 0.314 -6.485 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.552 2.080 -6.308 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.068 -0.620 -6.209 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.519 1.146 -6.032 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.798 -0.184 -5.988 1.00 0.00 C ATOM 0 H PHE A 20 -11.191 2.160 -8.566 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.696 3.696 -8.731 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.664 3.614 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.848 2.324 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.109 -0.032 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.330 3.136 -6.342 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.290 -1.676 -6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.511 1.492 -5.857 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.012 -0.894 -5.778 1.00 0.00 H new ATOM 304 N ASN A 21 -7.886 1.818 -10.046 1.00 0.00 N ATOM 305 CA ASN A 21 -7.358 0.728 -10.848 1.00 0.00 C ATOM 306 C ASN A 21 -5.935 0.405 -10.389 1.00 0.00 C ATOM 307 O ASN A 21 -5.097 1.295 -10.261 1.00 0.00 O ATOM 308 CB ASN A 21 -7.302 1.110 -12.328 1.00 0.00 C ATOM 309 CG ASN A 21 -8.266 2.258 -12.635 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.167 3.348 -12.096 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.203 1.953 -13.529 1.00 0.00 N ATOM 0 H ASN A 21 -7.532 2.742 -10.296 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.016 -0.132 -10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.286 1.403 -12.594 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.555 0.244 -12.940 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.895 2.651 -13.801 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.229 1.021 -13.942 1.00 0.00 H new ATOM 318 N HIS A 22 -5.699 -0.885 -10.149 1.00 0.00 N ATOM 319 CA HIS A 22 -4.403 -1.383 -9.703 1.00 0.00 C ATOM 320 C HIS A 22 -3.323 -1.027 -10.741 1.00 0.00 C ATOM 321 O HIS A 22 -2.141 -0.964 -10.407 1.00 0.00 O ATOM 322 CB HIS A 22 -4.523 -2.886 -9.407 1.00 0.00 C ATOM 323 CG HIS A 22 -5.092 -3.270 -8.061 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.378 -3.591 -7.888 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.503 -3.372 -6.823 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.582 -3.883 -6.594 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.457 -3.764 -5.891 1.00 0.00 N ATOM 0 H HIS A 22 -6.404 -1.613 -10.259 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.090 -0.905 -8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.145 -3.336 -10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.532 -3.330 -9.497 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.088 -3.611 -8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.462 -3.178 -6.608 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.534 -4.176 -6.177 1.00 0.00 H new ATOM 335 N SER A 23 -3.769 -0.804 -11.969 1.00 0.00 N ATOM 336 CA SER A 23 -2.857 -0.458 -13.045 1.00 0.00 C ATOM 337 C SER A 23 -2.210 0.900 -12.766 1.00 0.00 C ATOM 338 O SER A 23 -1.039 1.110 -13.078 1.00 0.00 O ATOM 339 CB SER A 23 -3.579 -0.434 -14.394 1.00 0.00 C ATOM 340 OG SER A 23 -4.166 0.837 -14.663 1.00 0.00 O ATOM 0 H SER A 23 -4.750 -0.856 -12.242 1.00 0.00 H new ATOM 0 HA SER A 23 -2.080 -1.221 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.874 -0.683 -15.187 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.354 -1.201 -14.404 1.00 0.00 H new ATOM 0 HG SER A 23 -4.616 0.812 -15.533 1.00 0.00 H new ATOM 346 N THR A 24 -3.001 1.788 -12.180 1.00 0.00 N ATOM 347 CA THR A 24 -2.520 3.119 -11.855 1.00 0.00 C ATOM 348 C THR A 24 -1.792 3.110 -10.509 1.00 0.00 C ATOM 349 O THR A 24 -1.320 4.143 -10.040 1.00 0.00 O ATOM 350 CB THR A 24 -3.714 4.076 -11.893 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.607 3.555 -10.912 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.500 3.979 -13.202 1.00 0.00 C ATOM 0 H THR A 24 -3.972 1.611 -11.922 1.00 0.00 H new ATOM 0 HA THR A 24 -1.786 3.462 -12.584 1.00 0.00 H new ATOM 0 HB THR A 24 -3.364 5.099 -11.755 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.391 2.615 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.336 4.678 -13.177 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.846 4.225 -14.038 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.879 2.964 -13.324 1.00 0.00 H new ATOM 360 N HIS A 25 -1.720 1.918 -9.916 1.00 0.00 N ATOM 361 CA HIS A 25 -1.064 1.712 -8.629 1.00 0.00 C ATOM 362 C HIS A 25 -0.473 0.292 -8.568 1.00 0.00 C ATOM 363 O HIS A 25 -0.711 -0.436 -7.606 1.00 0.00 O ATOM 364 CB HIS A 25 -2.063 2.029 -7.506 1.00 0.00 C ATOM 365 CG HIS A 25 -2.633 3.429 -7.479 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.650 3.807 -8.259 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.290 4.533 -6.736 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.931 5.096 -8.011 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.120 5.593 -7.078 1.00 0.00 N ATOM 0 H HIS A 25 -2.116 1.068 -10.317 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.220 2.390 -8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.892 1.325 -7.580 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.571 1.843 -6.551 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.134 3.213 -8.933 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.499 4.571 -6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.712 5.657 -8.503 1.00 0.00 H new ATOM 377 N LYS A 26 0.282 -0.053 -9.601 1.00 0.00 N ATOM 378 CA LYS A 26 0.903 -1.365 -9.669 1.00 0.00 C ATOM 379 C LYS A 26 2.400 -1.232 -9.382 1.00 0.00 C ATOM 380 O LYS A 26 3.114 -2.231 -9.316 1.00 0.00 O ATOM 381 CB LYS A 26 0.591 -2.036 -11.008 1.00 0.00 C ATOM 382 CG LYS A 26 1.025 -1.151 -12.179 1.00 0.00 C ATOM 383 CD LYS A 26 0.820 -1.870 -13.514 1.00 0.00 C ATOM 384 CE LYS A 26 1.653 -1.219 -14.621 1.00 0.00 C ATOM 385 NZ LYS A 26 2.112 -2.237 -15.592 1.00 0.00 N ATOM 0 H LYS A 26 0.478 0.553 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 26 0.489 -2.022 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.102 -2.997 -11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.478 -2.239 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.453 -0.223 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.075 -0.880 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.099 -2.919 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.235 -1.846 -13.786 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.060 -0.461 -15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.513 -0.710 -14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.675 -1.778 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.696 -2.945 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.288 -2.704 -16.021 1.00 0.00 H new ATOM 399 N SER A 27 2.831 0.011 -9.220 1.00 0.00 N ATOM 400 CA SER A 27 4.230 0.287 -8.941 1.00 0.00 C ATOM 401 C SER A 27 4.414 0.608 -7.457 1.00 0.00 C ATOM 402 O SER A 27 5.345 1.320 -7.083 1.00 0.00 O ATOM 403 CB SER A 27 4.745 1.443 -9.802 1.00 0.00 C ATOM 404 OG SER A 27 5.788 1.030 -10.680 1.00 0.00 O ATOM 0 H SER A 27 2.236 0.838 -9.277 1.00 0.00 H new ATOM 0 HA SER A 27 4.810 -0.602 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.922 1.855 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.110 2.242 -9.156 1.00 0.00 H new ATOM 0 HG SER A 27 6.089 1.795 -11.214 1.00 0.00 H new ATOM 410 N VAL A 28 3.512 0.068 -6.651 1.00 0.00 N ATOM 411 CA VAL A 28 3.564 0.287 -5.215 1.00 0.00 C ATOM 412 C VAL A 28 3.372 -1.047 -4.492 1.00 0.00 C ATOM 413 O VAL A 28 2.587 -1.887 -4.929 1.00 0.00 O ATOM 414 CB VAL A 28 2.532 1.341 -4.810 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.415 1.437 -3.287 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.869 2.703 -5.421 1.00 0.00 C ATOM 0 H VAL A 28 2.741 -0.521 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 28 4.539 0.676 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 28 1.564 1.029 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.675 2.193 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.106 0.472 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.381 1.714 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.119 3.434 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.851 3.025 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.877 2.622 -6.508 1.00 0.00 H new ATOM 426 N LYS A 29 4.103 -1.201 -3.398 1.00 0.00 N ATOM 427 CA LYS A 29 4.023 -2.420 -2.610 1.00 0.00 C ATOM 428 C LYS A 29 2.590 -2.603 -2.107 1.00 0.00 C ATOM 429 O LYS A 29 1.962 -1.650 -1.650 1.00 0.00 O ATOM 430 CB LYS A 29 5.070 -2.405 -1.494 1.00 0.00 C ATOM 431 CG LYS A 29 5.653 -3.802 -1.271 1.00 0.00 C ATOM 432 CD LYS A 29 5.973 -4.033 0.207 1.00 0.00 C ATOM 433 CE LYS A 29 7.180 -4.959 0.369 1.00 0.00 C ATOM 434 NZ LYS A 29 8.077 -4.459 1.435 1.00 0.00 N ATOM 0 H LYS A 29 4.753 -0.502 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 29 4.258 -3.289 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.870 -1.710 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.617 -2.044 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.944 -4.555 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.559 -3.921 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.175 -3.078 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.107 -4.468 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.843 -5.967 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.725 -5.024 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.891 -5.099 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.413 -3.506 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.558 -4.420 2.335 1.00 0.00 H new ATOM 448 N CYS A 30 2.115 -3.836 -2.209 1.00 0.00 N ATOM 449 CA CYS A 30 0.767 -4.157 -1.770 1.00 0.00 C ATOM 450 C CYS A 30 0.652 -3.815 -0.283 1.00 0.00 C ATOM 451 O CYS A 30 -0.438 -3.532 0.209 1.00 0.00 O ATOM 452 CB CYS A 30 0.415 -5.620 -2.049 1.00 0.00 C ATOM 453 SG CYS A 30 1.131 -6.302 -3.588 1.00 0.00 S ATOM 0 H CYS A 30 2.639 -4.624 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 30 0.047 -3.565 -2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.752 -6.227 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.670 -5.715 -2.096 1.00 0.00 H new ATOM 458 N GLY A 31 1.793 -3.854 0.390 1.00 0.00 N ATOM 459 CA GLY A 31 1.834 -3.552 1.811 1.00 0.00 C ATOM 460 C GLY A 31 1.650 -2.053 2.058 1.00 0.00 C ATOM 461 O GLY A 31 1.569 -1.615 3.205 1.00 0.00 O ATOM 0 H GLY A 31 2.696 -4.090 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.052 -4.108 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.786 -3.879 2.229 1.00 0.00 H new ATOM 465 N ASP A 32 1.591 -1.308 0.964 1.00 0.00 N ATOM 466 CA ASP A 32 1.419 0.132 1.048 1.00 0.00 C ATOM 467 C ASP A 32 -0.067 0.455 1.215 1.00 0.00 C ATOM 468 O ASP A 32 -0.425 1.413 1.899 1.00 0.00 O ATOM 469 CB ASP A 32 1.912 0.821 -0.225 1.00 0.00 C ATOM 470 CG ASP A 32 2.321 2.286 -0.052 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.410 3.103 0.202 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.535 2.555 -0.177 1.00 0.00 O ATOM 0 H ASP A 32 1.659 -1.675 0.015 1.00 0.00 H new ATOM 0 HA ASP A 32 1.997 0.491 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.765 0.265 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.126 0.766 -0.978 1.00 0.00 H new ATOM 477 N CYS A 33 -0.893 -0.363 0.579 1.00 0.00 N ATOM 478 CA CYS A 33 -2.332 -0.176 0.649 1.00 0.00 C ATOM 479 C CYS A 33 -2.911 -1.250 1.572 1.00 0.00 C ATOM 480 O CYS A 33 -3.689 -0.951 2.476 1.00 0.00 O ATOM 481 CB CYS A 33 -2.974 -0.211 -0.740 1.00 0.00 C ATOM 482 SG CYS A 33 -3.246 1.494 -1.346 1.00 0.00 S ATOM 0 H CYS A 33 -0.593 -1.157 0.013 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.555 0.810 1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.332 -0.754 -1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.922 -0.747 -0.698 1.00 0.00 H new ATOM 487 N HIS A 34 -2.508 -2.494 1.313 1.00 0.00 N ATOM 488 CA HIS A 34 -2.953 -3.648 2.087 1.00 0.00 C ATOM 489 C HIS A 34 -1.983 -3.897 3.256 1.00 0.00 C ATOM 490 O HIS A 34 -1.120 -4.768 3.177 1.00 0.00 O ATOM 491 CB HIS A 34 -3.122 -4.845 1.140 1.00 0.00 C ATOM 492 CG HIS A 34 -4.043 -4.652 -0.042 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.374 -4.633 0.078 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.777 -4.470 -1.379 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.916 -4.446 -1.136 1.00 0.00 C ATOM 496 NE2 HIS A 34 -4.975 -4.339 -2.071 1.00 0.00 N ATOM 0 H HIS A 34 -1.863 -2.728 0.559 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.926 -3.471 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.138 -5.121 0.762 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.489 -5.690 1.722 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.893 -4.743 0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.792 -4.434 -1.821 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.977 -4.390 -1.329 1.00 0.00 H new ATOM 504 N HIS A 35 -2.158 -3.112 4.320 1.00 0.00 N ATOM 505 CA HIS A 35 -1.333 -3.207 5.518 1.00 0.00 C ATOM 506 C HIS A 35 -1.648 -4.516 6.265 1.00 0.00 C ATOM 507 O HIS A 35 -2.733 -5.081 6.150 1.00 0.00 O ATOM 508 CB HIS A 35 -1.530 -1.937 6.360 1.00 0.00 C ATOM 509 CG HIS A 35 -2.840 -1.811 7.103 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.233 -2.697 8.023 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.837 -0.868 7.030 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.428 -2.321 8.505 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.847 -1.197 7.925 1.00 0.00 N ATOM 0 H HIS A 35 -2.878 -2.392 4.372 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.273 -3.256 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.720 -1.882 7.087 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.427 -1.074 5.703 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.710 -3.524 8.312 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.835 -0.006 6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.978 -2.859 9.263 1.00 0.00 H new ATOM 521 N PRO A 36 -0.664 -4.984 7.036 1.00 0.00 N ATOM 522 CA PRO A 36 -0.751 -6.195 7.824 1.00 0.00 C ATOM 523 C PRO A 36 -1.610 -5.943 9.055 1.00 0.00 C ATOM 524 O PRO A 36 -1.265 -5.072 9.851 1.00 0.00 O ATOM 525 CB PRO A 36 0.691 -6.510 8.218 1.00 0.00 C ATOM 526 CG PRO A 36 1.377 -5.217 8.198 1.00 0.00 C ATOM 527 CD PRO A 36 0.625 -4.345 7.194 1.00 0.00 C ATOM 0 HA PRO A 36 -1.208 -7.022 7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.740 -6.968 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.148 -7.211 7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.374 -4.760 9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.420 -5.335 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.517 -3.324 7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.157 -4.288 6.244 1.00 0.00 H new ATOM 535 N VAL A 37 -2.694 -6.693 9.186 1.00 0.00 N ATOM 536 CA VAL A 37 -3.582 -6.532 10.324 1.00 0.00 C ATOM 537 C VAL A 37 -3.556 -7.805 11.172 1.00 0.00 C ATOM 538 O VAL A 37 -3.364 -8.901 10.646 1.00 0.00 O ATOM 539 CB VAL A 37 -4.987 -6.162 9.843 1.00 0.00 C ATOM 540 CG1 VAL A 37 -5.730 -5.341 10.899 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.931 -5.417 8.509 1.00 0.00 C ATOM 0 H VAL A 37 -2.977 -7.414 8.523 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.244 -5.713 10.959 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.542 -7.087 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.725 -5.091 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.817 -5.922 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.177 -4.424 11.102 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.942 -5.166 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.350 -4.502 8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.460 -6.051 7.758 1.00 0.00 H new ATOM 551 N ASN A 38 -3.752 -7.619 12.469 1.00 0.00 N ATOM 552 CA ASN A 38 -3.753 -8.740 13.394 1.00 0.00 C ATOM 553 C ASN A 38 -2.625 -9.705 13.021 1.00 0.00 C ATOM 554 O ASN A 38 -2.727 -10.906 13.262 1.00 0.00 O ATOM 555 CB ASN A 38 -5.074 -9.509 13.326 1.00 0.00 C ATOM 556 CG ASN A 38 -6.061 -8.996 14.376 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.049 -7.675 14.531 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -6.786 -9.750 15.005 1.00 0.00 N flip ATOM 0 H ASN A 38 -3.911 -6.709 12.901 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.616 -8.346 14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.509 -9.405 12.332 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.889 -10.572 13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.745 -10.755 14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.433 -9.375 15.699 1.00 0.00 H new ATOM 565 N GLY A 39 -1.576 -9.142 12.439 1.00 0.00 N ATOM 566 CA GLY A 39 -0.431 -9.937 12.031 1.00 0.00 C ATOM 567 C GLY A 39 -0.816 -10.930 10.932 1.00 0.00 C ATOM 568 O GLY A 39 -0.667 -12.139 11.104 1.00 0.00 O ATOM 0 H GLY A 39 -1.495 -8.145 12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.362 -9.281 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.034 -10.477 12.891 1.00 0.00 H new ATOM 572 N LYS A 40 -1.304 -10.382 9.829 1.00 0.00 N ATOM 573 CA LYS A 40 -1.712 -11.205 8.703 1.00 0.00 C ATOM 574 C LYS A 40 -2.229 -10.304 7.579 1.00 0.00 C ATOM 575 O LYS A 40 -3.352 -9.807 7.645 1.00 0.00 O ATOM 576 CB LYS A 40 -2.717 -12.267 9.152 1.00 0.00 C ATOM 577 CG LYS A 40 -3.521 -12.799 7.963 1.00 0.00 C ATOM 578 CD LYS A 40 -4.682 -13.676 8.434 1.00 0.00 C ATOM 579 CE LYS A 40 -6.000 -13.228 7.800 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.970 -13.440 6.336 1.00 0.00 N ATOM 0 H LYS A 40 -1.426 -9.379 9.691 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.860 -11.755 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.190 -13.089 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.394 -11.842 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.906 -11.964 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.868 -13.375 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.485 -14.716 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.762 -13.627 9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.828 -13.785 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.175 -12.174 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.910 -13.243 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.271 -12.800 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.708 -14.426 6.133 1.00 0.00 H new ATOM 594 N GLU A 41 -1.385 -10.122 6.575 1.00 0.00 N ATOM 595 CA GLU A 41 -1.742 -9.290 5.438 1.00 0.00 C ATOM 596 C GLU A 41 -3.235 -9.425 5.130 1.00 0.00 C ATOM 597 O GLU A 41 -3.729 -10.530 4.911 1.00 0.00 O ATOM 598 CB GLU A 41 -0.895 -9.640 4.214 1.00 0.00 C ATOM 599 CG GLU A 41 0.352 -8.758 4.139 1.00 0.00 C ATOM 600 CD GLU A 41 1.390 -9.355 3.186 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.364 -10.594 3.023 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.185 -8.558 2.642 1.00 0.00 O ATOM 0 H GLU A 41 -0.454 -10.536 6.525 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.536 -8.251 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.601 -10.689 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.489 -9.514 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.075 -7.759 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.786 -8.650 5.133 1.00 0.00 H new ATOM 609 N ASP A 42 -3.911 -8.286 5.123 1.00 0.00 N ATOM 610 CA ASP A 42 -5.337 -8.263 4.845 1.00 0.00 C ATOM 611 C ASP A 42 -5.581 -7.560 3.508 1.00 0.00 C ATOM 612 O ASP A 42 -4.929 -6.578 3.159 1.00 0.00 O ATOM 613 CB ASP A 42 -6.097 -7.496 5.928 1.00 0.00 C ATOM 614 CG ASP A 42 -7.620 -7.635 5.871 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.209 -7.046 4.939 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.160 -8.327 6.761 1.00 0.00 O ATOM 0 H ASP A 42 -3.497 -7.372 5.306 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.691 -9.293 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.752 -7.838 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.841 -6.439 5.852 1.00 0.00 H new ATOM 621 N TYR A 43 -6.549 -8.092 2.759 1.00 0.00 N ATOM 622 CA TYR A 43 -6.900 -7.544 1.465 1.00 0.00 C ATOM 623 C TYR A 43 -8.413 -7.422 1.349 1.00 0.00 C ATOM 624 O TYR A 43 -8.923 -7.387 0.231 1.00 0.00 O ATOM 625 CB TYR A 43 -6.345 -8.443 0.364 1.00 0.00 C ATOM 626 CG TYR A 43 -4.875 -8.227 0.094 1.00 0.00 C ATOM 627 CD1 TYR A 43 -3.930 -8.526 1.083 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.457 -7.727 -1.145 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.567 -8.325 0.833 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.094 -7.527 -1.395 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.149 -7.826 -0.407 1.00 0.00 C ATOM 632 OH TYR A 43 -0.822 -7.630 -0.650 1.00 0.00 O ATOM 0 H TYR A 43 -7.100 -8.904 3.035 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.466 -6.550 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.506 -9.485 0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.905 -8.267 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.252 -8.912 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.186 -7.496 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.838 -8.555 1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.772 -7.142 -2.351 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.594 -7.993 -1.531 1.00 0.00 H new ATOM 642 N ARG A 44 -9.092 -7.362 2.486 1.00 0.00 N ATOM 643 CA ARG A 44 -10.540 -7.245 2.487 1.00 0.00 C ATOM 644 C ARG A 44 -10.954 -5.773 2.542 1.00 0.00 C ATOM 645 O ARG A 44 -10.111 -4.894 2.717 1.00 0.00 O ATOM 646 CB ARG A 44 -11.151 -7.984 3.680 1.00 0.00 C ATOM 647 CG ARG A 44 -10.458 -9.329 3.905 1.00 0.00 C ATOM 648 CD ARG A 44 -11.100 -10.089 5.067 1.00 0.00 C ATOM 649 NE ARG A 44 -10.069 -10.457 6.062 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.331 -10.733 7.358 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.597 -10.685 7.826 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.332 -11.051 8.160 1.00 0.00 N ATOM 0 H ARG A 44 -8.666 -7.392 3.412 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.910 -7.696 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.062 -7.371 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.215 -8.144 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.517 -9.929 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.400 -9.167 4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.866 -9.472 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.596 -10.986 4.696 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.099 -10.505 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.363 -10.439 7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.787 -10.895 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.379 -11.086 7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.513 -11.262 9.141 1.00 0.00 H new ATOM 665 N LYS A 45 -12.251 -5.549 2.390 1.00 0.00 N ATOM 666 CA LYS A 45 -12.786 -4.199 2.420 1.00 0.00 C ATOM 667 C LYS A 45 -12.035 -3.381 3.472 1.00 0.00 C ATOM 668 O LYS A 45 -11.777 -3.865 4.573 1.00 0.00 O ATOM 669 CB LYS A 45 -14.302 -4.228 2.631 1.00 0.00 C ATOM 670 CG LYS A 45 -14.964 -5.252 1.706 1.00 0.00 C ATOM 671 CD LYS A 45 -16.347 -4.773 1.259 1.00 0.00 C ATOM 672 CE LYS A 45 -17.265 -5.958 0.955 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.515 -6.748 2.181 1.00 0.00 N ATOM 0 H LYS A 45 -12.947 -6.280 2.246 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.630 -3.706 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.524 -4.474 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.718 -3.239 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.333 -5.420 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.055 -6.208 2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.791 -4.155 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.250 -4.147 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.210 -5.598 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.811 -6.592 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.456 -7.188 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.791 -7.489 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.475 -6.123 3.011 1.00 0.00 H new ATOM 687 N CYS A 46 -11.705 -2.154 3.096 1.00 0.00 N ATOM 688 CA CYS A 46 -10.988 -1.264 3.993 1.00 0.00 C ATOM 689 C CYS A 46 -11.856 -1.027 5.230 1.00 0.00 C ATOM 690 O CYS A 46 -11.368 -1.089 6.357 1.00 0.00 O ATOM 691 CB CYS A 46 -10.607 0.048 3.303 1.00 0.00 C ATOM 692 SG CYS A 46 -9.242 -0.089 2.092 1.00 0.00 S ATOM 0 H CYS A 46 -11.921 -1.755 2.182 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.048 -1.727 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.486 0.443 2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.326 0.775 4.065 1.00 0.00 H new ATOM 697 N GLY A 47 -13.130 -0.760 4.978 1.00 0.00 N ATOM 698 CA GLY A 47 -14.071 -0.514 6.057 1.00 0.00 C ATOM 699 C GLY A 47 -14.431 -1.815 6.778 1.00 0.00 C ATOM 700 O GLY A 47 -13.830 -2.151 7.797 1.00 0.00 O ATOM 0 H GLY A 47 -13.532 -0.709 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.640 0.192 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.975 -0.053 5.658 1.00 0.00 H new ATOM 704 N THR A 48 -15.411 -2.511 6.220 1.00 0.00 N ATOM 705 CA THR A 48 -15.859 -3.767 6.796 1.00 0.00 C ATOM 706 C THR A 48 -16.228 -3.577 8.269 1.00 0.00 C ATOM 707 O THR A 48 -15.913 -2.546 8.863 1.00 0.00 O ATOM 708 CB THR A 48 -14.759 -4.808 6.575 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.819 -4.146 5.732 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.237 -5.996 5.739 1.00 0.00 C ATOM 0 H THR A 48 -15.907 -2.228 5.375 1.00 0.00 H new ATOM 0 HA THR A 48 -16.767 -4.123 6.309 1.00 0.00 H new ATOM 0 HB THR A 48 -14.398 -5.165 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.049 -4.732 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.418 -6.704 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.067 -6.488 6.247 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.567 -5.644 4.762 1.00 0.00 H new ATOM 718 N ALA A 49 -16.889 -4.586 8.816 1.00 0.00 N ATOM 719 CA ALA A 49 -17.304 -4.543 10.207 1.00 0.00 C ATOM 720 C ALA A 49 -16.186 -5.108 11.086 1.00 0.00 C ATOM 721 O ALA A 49 -15.800 -6.267 10.938 1.00 0.00 O ATOM 722 CB ALA A 49 -18.618 -5.308 10.373 1.00 0.00 C ATOM 0 H ALA A 49 -17.148 -5.439 8.320 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.484 -3.515 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.929 -5.275 11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.387 -4.850 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.476 -6.345 10.069 1.00 0.00 H new ATOM 728 N GLY A 50 -15.697 -4.263 11.982 1.00 0.00 N ATOM 729 CA GLY A 50 -14.631 -4.664 12.885 1.00 0.00 C ATOM 730 C GLY A 50 -13.389 -3.793 12.686 1.00 0.00 C ATOM 731 O GLY A 50 -12.530 -3.721 13.565 1.00 0.00 O ATOM 0 H GLY A 50 -16.019 -3.303 12.102 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.974 -4.585 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.378 -5.710 12.713 1.00 0.00 H new ATOM 735 N CYS A 51 -13.332 -3.154 11.527 1.00 0.00 N ATOM 736 CA CYS A 51 -12.208 -2.291 11.203 1.00 0.00 C ATOM 737 C CYS A 51 -12.722 -0.854 11.098 1.00 0.00 C ATOM 738 O CYS A 51 -13.529 -0.411 11.913 1.00 0.00 O ATOM 739 CB CYS A 51 -11.502 -2.740 9.922 1.00 0.00 C ATOM 740 SG CYS A 51 -11.324 -4.561 9.911 1.00 0.00 S ATOM 0 H CYS A 51 -14.045 -3.216 10.801 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.459 -2.351 11.993 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -12.072 -2.417 9.051 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.521 -2.270 9.854 1.00 0.00 H new ATOM 745 N HIS A 52 -12.229 -0.153 10.076 1.00 0.00 N ATOM 746 CA HIS A 52 -12.601 1.233 9.814 1.00 0.00 C ATOM 747 C HIS A 52 -14.105 1.316 9.493 1.00 0.00 C ATOM 748 O HIS A 52 -14.483 1.411 8.326 1.00 0.00 O ATOM 749 CB HIS A 52 -11.688 1.794 8.714 1.00 0.00 C ATOM 750 CG HIS A 52 -10.203 1.566 8.882 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.450 2.306 9.701 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.356 0.651 8.304 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.182 1.870 9.636 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.068 0.849 8.788 1.00 0.00 N ATOM 0 H HIS A 52 -11.560 -0.533 9.407 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.451 1.859 10.693 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.994 1.358 7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.861 2.868 8.643 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.784 3.076 10.281 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.645 -0.103 7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.362 2.292 10.198 1.00 0.00 H new ATOM 762 N ASP A 53 -14.912 1.278 10.543 1.00 0.00 N ATOM 763 CA ASP A 53 -16.354 1.350 10.382 1.00 0.00 C ATOM 764 C ASP A 53 -16.858 2.691 10.919 1.00 0.00 C ATOM 765 O ASP A 53 -18.009 2.803 11.338 1.00 0.00 O ATOM 766 CB ASP A 53 -17.051 0.235 11.164 1.00 0.00 C ATOM 767 CG ASP A 53 -17.267 0.526 12.650 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.338 0.222 13.429 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.357 1.046 12.974 1.00 0.00 O ATOM 0 H ASP A 53 -14.594 1.198 11.509 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.580 1.243 9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.019 0.039 10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.462 -0.677 11.070 1.00 0.00 H new ATOM 774 N SER A 54 -15.970 3.674 10.889 1.00 0.00 N ATOM 775 CA SER A 54 -16.310 5.003 11.368 1.00 0.00 C ATOM 776 C SER A 54 -16.586 5.932 10.183 1.00 0.00 C ATOM 777 O SER A 54 -15.700 6.183 9.368 1.00 0.00 O ATOM 778 CB SER A 54 -15.194 5.576 12.243 1.00 0.00 C ATOM 779 OG SER A 54 -15.324 6.984 12.421 1.00 0.00 O ATOM 0 H SER A 54 -15.016 3.577 10.541 1.00 0.00 H new ATOM 0 HA SER A 54 -17.210 4.926 11.979 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.208 5.085 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.228 5.356 11.789 1.00 0.00 H new ATOM 0 HG SER A 54 -14.726 7.280 13.139 1.00 0.00 H new ATOM 785 N MET A 55 -17.818 6.416 10.126 1.00 0.00 N ATOM 786 CA MET A 55 -18.221 7.311 9.055 1.00 0.00 C ATOM 787 C MET A 55 -18.952 8.535 9.609 1.00 0.00 C ATOM 788 O MET A 55 -20.102 8.790 9.253 1.00 0.00 O ATOM 789 CB MET A 55 -19.138 6.565 8.084 1.00 0.00 C ATOM 790 CG MET A 55 -18.526 5.224 7.672 1.00 0.00 C ATOM 791 SD MET A 55 -18.320 5.166 5.899 1.00 0.00 S ATOM 792 CE MET A 55 -18.227 3.400 5.656 1.00 0.00 C ATOM 0 H MET A 55 -18.550 6.205 10.804 1.00 0.00 H new ATOM 0 HA MET A 55 -17.325 7.651 8.535 1.00 0.00 H new ATOM 0 HB2 MET A 55 -20.109 6.398 8.551 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.311 7.177 7.199 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.562 5.088 8.163 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.168 4.406 7.999 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.097 3.185 4.595 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.380 3.000 6.214 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.147 2.935 6.010 1.00 0.00 H new ATOM 802 N ASP A 56 -18.256 9.261 10.471 1.00 0.00 N ATOM 803 CA ASP A 56 -18.824 10.452 11.078 1.00 0.00 C ATOM 804 C ASP A 56 -17.852 11.621 10.905 1.00 0.00 C ATOM 805 O ASP A 56 -16.907 11.536 10.122 1.00 0.00 O ATOM 806 CB ASP A 56 -19.057 10.249 12.577 1.00 0.00 C ATOM 807 CG ASP A 56 -20.274 10.981 13.147 1.00 0.00 C ATOM 808 OD1 ASP A 56 -21.378 10.400 13.059 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.073 12.104 13.657 1.00 0.00 O ATOM 0 H ASP A 56 -17.303 9.047 10.764 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.776 10.658 10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.170 9.182 12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.168 10.579 13.115 1.00 0.00 H new ATOM 814 N LYS A 57 -18.117 12.685 11.649 1.00 0.00 N ATOM 815 CA LYS A 57 -17.278 13.869 11.588 1.00 0.00 C ATOM 816 C LYS A 57 -16.774 14.206 12.993 1.00 0.00 C ATOM 817 O LYS A 57 -17.451 14.902 13.748 1.00 0.00 O ATOM 818 CB LYS A 57 -18.024 15.020 10.909 1.00 0.00 C ATOM 819 CG LYS A 57 -17.093 15.807 9.984 1.00 0.00 C ATOM 820 CD LYS A 57 -15.679 15.880 10.562 1.00 0.00 C ATOM 821 CE LYS A 57 -14.945 17.125 10.060 1.00 0.00 C ATOM 822 NZ LYS A 57 -13.949 16.759 9.028 1.00 0.00 N ATOM 0 H LYS A 57 -18.902 12.751 12.297 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.399 13.681 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.864 14.626 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.439 15.686 11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.064 15.334 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.484 16.814 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.728 15.897 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.121 14.987 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.662 17.835 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.448 17.622 10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.460 17.616 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.255 16.099 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.431 16.305 8.226 1.00 0.00 H new ATOM 836 N LYS A 58 -15.591 13.696 13.301 1.00 0.00 N ATOM 837 CA LYS A 58 -14.989 13.934 14.602 1.00 0.00 C ATOM 838 C LYS A 58 -13.824 12.963 14.805 1.00 0.00 C ATOM 839 O LYS A 58 -12.667 13.324 14.593 1.00 0.00 O ATOM 840 CB LYS A 58 -16.049 13.862 15.703 1.00 0.00 C ATOM 841 CG LYS A 58 -16.472 15.263 16.149 1.00 0.00 C ATOM 842 CD LYS A 58 -15.668 15.717 17.369 1.00 0.00 C ATOM 843 CE LYS A 58 -16.209 15.080 18.650 1.00 0.00 C ATOM 844 NZ LYS A 58 -15.103 14.774 19.584 1.00 0.00 N ATOM 0 H LYS A 58 -15.033 13.119 12.672 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.577 14.942 14.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.919 13.314 15.340 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.656 13.308 16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.327 15.968 15.331 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.535 15.267 16.388 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.620 15.447 17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.710 16.803 17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.919 15.755 19.127 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.751 14.166 18.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.488 14.342 20.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.440 14.112 19.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.603 15.652 19.829 1.00 0.00 H new ATOM 858 N ASP A 59 -14.170 11.751 15.213 1.00 0.00 N ATOM 859 CA ASP A 59 -13.167 10.726 15.448 1.00 0.00 C ATOM 860 C ASP A 59 -12.233 10.646 14.238 1.00 0.00 C ATOM 861 O ASP A 59 -12.691 10.568 13.100 1.00 0.00 O ATOM 862 CB ASP A 59 -13.816 9.353 15.635 1.00 0.00 C ATOM 863 CG ASP A 59 -12.909 8.161 15.323 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.764 8.173 15.823 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.381 7.266 14.590 1.00 0.00 O ATOM 0 H ASP A 59 -15.131 11.456 15.387 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.618 10.992 16.351 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.161 9.268 16.666 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.699 9.295 14.998 1.00 0.00 H new ATOM 870 N LYS A 60 -10.940 10.670 14.526 1.00 0.00 N ATOM 871 CA LYS A 60 -9.938 10.601 13.477 1.00 0.00 C ATOM 872 C LYS A 60 -8.946 9.481 13.797 1.00 0.00 C ATOM 873 O LYS A 60 -7.918 9.349 13.134 1.00 0.00 O ATOM 874 CB LYS A 60 -9.279 11.967 13.275 1.00 0.00 C ATOM 875 CG LYS A 60 -10.323 13.085 13.276 1.00 0.00 C ATOM 876 CD LYS A 60 -9.936 14.198 12.300 1.00 0.00 C ATOM 877 CE LYS A 60 -10.040 15.572 12.965 1.00 0.00 C ATOM 878 NZ LYS A 60 -9.447 16.614 12.097 1.00 0.00 N ATOM 0 H LYS A 60 -10.563 10.736 15.472 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.402 10.352 12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.551 12.144 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.733 11.975 12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.297 12.678 13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.420 13.495 14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.918 14.038 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.587 14.163 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.085 15.808 13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.528 15.557 13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.526 17.540 12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.444 16.396 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.954 16.639 11.189 1.00 0.00 H new ATOM 892 N SER A 61 -9.288 8.704 14.814 1.00 0.00 N ATOM 893 CA SER A 61 -8.440 7.600 15.231 1.00 0.00 C ATOM 894 C SER A 61 -8.191 6.657 14.051 1.00 0.00 C ATOM 895 O SER A 61 -8.431 7.020 12.901 1.00 0.00 O ATOM 896 CB SER A 61 -9.066 6.835 16.399 1.00 0.00 C ATOM 897 OG SER A 61 -8.087 6.148 17.173 1.00 0.00 O ATOM 0 H SER A 61 -10.141 8.817 15.362 1.00 0.00 H new ATOM 0 HA SER A 61 -7.488 8.009 15.569 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.610 7.531 17.038 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.793 6.119 16.015 1.00 0.00 H new ATOM 0 HG SER A 61 -8.526 5.674 17.909 1.00 0.00 H new ATOM 903 N ALA A 62 -7.714 5.465 14.378 1.00 0.00 N ATOM 904 CA ALA A 62 -7.430 4.468 13.361 1.00 0.00 C ATOM 905 C ALA A 62 -8.745 3.866 12.862 1.00 0.00 C ATOM 906 O ALA A 62 -8.746 3.036 11.954 1.00 0.00 O ATOM 907 CB ALA A 62 -6.484 3.410 13.932 1.00 0.00 C ATOM 0 H ALA A 62 -7.517 5.167 15.334 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.930 4.924 12.506 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.271 2.662 13.168 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.554 3.884 14.244 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.952 2.929 14.791 1.00 0.00 H new ATOM 913 N LYS A 63 -9.832 4.308 13.476 1.00 0.00 N ATOM 914 CA LYS A 63 -11.151 3.823 13.106 1.00 0.00 C ATOM 915 C LYS A 63 -11.706 4.685 11.971 1.00 0.00 C ATOM 916 O LYS A 63 -12.475 4.204 11.140 1.00 0.00 O ATOM 917 CB LYS A 63 -12.062 3.760 14.333 1.00 0.00 C ATOM 918 CG LYS A 63 -11.672 2.597 15.248 1.00 0.00 C ATOM 919 CD LYS A 63 -11.525 3.065 16.697 1.00 0.00 C ATOM 920 CE LYS A 63 -10.699 2.069 17.513 1.00 0.00 C ATOM 921 NZ LYS A 63 -11.488 0.849 17.797 1.00 0.00 N ATOM 0 H LYS A 63 -9.827 4.997 14.228 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.090 2.802 12.730 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.000 4.698 14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.098 3.645 14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.428 1.814 15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.734 2.160 14.906 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.047 4.044 16.720 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.511 3.181 17.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.794 1.804 16.966 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.383 2.530 18.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.912 0.184 18.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.339 1.104 18.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.768 0.401 16.901 1.00 0.00 H new ATOM 935 N GLY A 64 -11.295 5.945 11.972 1.00 0.00 N ATOM 936 CA GLY A 64 -11.742 6.878 10.952 1.00 0.00 C ATOM 937 C GLY A 64 -11.486 6.323 9.550 1.00 0.00 C ATOM 938 O GLY A 64 -10.353 6.089 9.136 1.00 0.00 O ATOM 0 H GLY A 64 -10.658 6.341 12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.806 7.078 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.222 7.829 11.071 1.00 0.00 H new ATOM 942 N TYR A 65 -12.583 6.113 8.817 1.00 0.00 N ATOM 943 CA TYR A 65 -12.510 5.588 7.468 1.00 0.00 C ATOM 944 C TYR A 65 -11.787 6.579 6.567 1.00 0.00 C ATOM 945 O TYR A 65 -10.720 6.275 6.036 1.00 0.00 O ATOM 946 CB TYR A 65 -13.921 5.318 6.953 1.00 0.00 C ATOM 947 CG TYR A 65 -13.958 4.421 5.739 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.903 3.534 5.492 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.047 4.476 4.861 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.937 2.701 4.367 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.081 3.643 3.736 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.026 2.756 3.489 1.00 0.00 C ATOM 953 OH TYR A 65 -14.060 1.944 2.393 1.00 0.00 O ATOM 0 H TYR A 65 -13.530 6.302 9.144 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.951 4.652 7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.509 4.862 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.398 6.267 6.708 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.063 3.492 6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.860 5.161 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.124 2.016 4.177 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.921 3.685 3.059 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.322 2.467 1.607 1.00 0.00 H new ATOM 963 N TYR A 66 -12.370 7.767 6.395 1.00 0.00 N ATOM 964 CA TYR A 66 -11.780 8.793 5.559 1.00 0.00 C ATOM 965 C TYR A 66 -10.466 9.262 6.167 1.00 0.00 C ATOM 966 O TYR A 66 -9.747 10.019 5.518 1.00 0.00 O ATOM 967 CB TYR A 66 -12.757 9.957 5.419 1.00 0.00 C ATOM 968 CG TYR A 66 -12.821 10.840 6.642 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.738 11.664 6.969 1.00 0.00 C ATOM 970 CD2 TYR A 66 -13.965 10.835 7.449 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.797 12.483 8.103 1.00 0.00 C ATOM 972 CE2 TYR A 66 -14.025 11.654 8.583 1.00 0.00 C ATOM 973 CZ TYR A 66 -12.941 12.477 8.910 1.00 0.00 C ATOM 974 OH TYR A 66 -12.999 13.275 10.015 1.00 0.00 O ATOM 0 H TYR A 66 -13.253 8.035 6.829 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.574 8.387 4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -12.469 10.561 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.752 9.563 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.856 11.668 6.346 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -14.801 10.200 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.961 13.119 8.355 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -14.908 11.651 9.205 1.00 0.00 H new ATOM 0 HH TYR A 66 -13.862 13.151 10.463 1.00 0.00 H new ATOM 984 N HIS A 67 -10.180 8.812 7.380 1.00 0.00 N ATOM 985 CA HIS A 67 -8.950 9.198 8.051 1.00 0.00 C ATOM 986 C HIS A 67 -7.812 8.277 7.607 1.00 0.00 C ATOM 987 O HIS A 67 -6.651 8.681 7.593 1.00 0.00 O ATOM 988 CB HIS A 67 -9.142 9.216 9.569 1.00 0.00 C ATOM 989 CG HIS A 67 -7.851 9.152 10.351 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.084 10.271 10.624 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.204 8.093 10.917 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.023 9.890 11.321 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.099 8.540 11.502 1.00 0.00 N ATOM 0 H HIS A 67 -10.779 8.184 7.916 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.679 10.215 7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.679 10.123 9.847 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.771 8.373 9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.534 7.065 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.236 10.535 11.682 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.419 7.968 12.004 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.186 7.055 7.257 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.212 6.073 6.814 1.00 0.00 C ATOM 1003 C VAL A 68 -7.117 6.107 5.287 1.00 0.00 C ATOM 1004 O VAL A 68 -6.727 5.121 4.663 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.577 4.690 7.359 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.610 4.696 8.889 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -8.910 4.209 6.783 1.00 0.00 C ATOM 0 H VAL A 68 -9.150 6.723 7.271 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.224 6.312 7.207 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.804 3.989 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.872 3.702 9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.629 4.975 9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.353 5.415 9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.146 3.224 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.698 4.911 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.837 4.149 5.697 1.00 0.00 H new ATOM 1017 N MET A 69 -7.480 7.253 4.729 1.00 0.00 N ATOM 1018 CA MET A 69 -7.441 7.428 3.287 1.00 0.00 C ATOM 1019 C MET A 69 -7.399 8.912 2.917 1.00 0.00 C ATOM 1020 O MET A 69 -7.912 9.317 1.876 1.00 0.00 O ATOM 1021 CB MET A 69 -8.677 6.780 2.661 1.00 0.00 C ATOM 1022 CG MET A 69 -9.698 6.395 3.733 1.00 0.00 C ATOM 1023 SD MET A 69 -10.999 5.409 3.012 1.00 0.00 S ATOM 1024 CE MET A 69 -10.451 3.778 3.485 1.00 0.00 C ATOM 0 H MET A 69 -7.802 8.069 5.249 1.00 0.00 H new ATOM 0 HA MET A 69 -6.538 6.952 2.905 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.133 7.470 1.951 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.382 5.893 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.207 5.837 4.530 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.119 7.293 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.026 3.029 2.941 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.393 3.667 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.599 3.641 4.556 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.775 9.695 3.797 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.635 11.136 3.615 1.00 0.00 C ATOM 1036 C HIS A 70 -5.435 11.649 4.433 1.00 0.00 C ATOM 1037 O HIS A 70 -4.372 11.910 3.872 1.00 0.00 O ATOM 1038 CB HIS A 70 -7.970 11.813 3.959 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.142 11.502 3.057 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -9.812 10.348 3.118 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.741 12.240 2.064 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.791 10.366 2.200 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.792 11.511 1.521 1.00 0.00 N ATOM 0 H HIS A 70 -6.352 9.345 4.657 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.416 11.388 2.577 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.241 11.533 4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.815 12.892 3.955 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.612 9.579 3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.442 13.231 1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.487 9.557 2.034 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.649 11.776 5.734 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.601 12.249 6.622 1.00 0.00 C ATOM 1053 C ASP A 71 -3.290 11.535 6.283 1.00 0.00 C ATOM 1054 O ASP A 71 -3.299 10.378 5.866 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.939 11.948 8.083 1.00 0.00 C ATOM 1056 CG ASP A 71 -4.155 12.769 9.110 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -3.166 13.407 8.691 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -4.564 12.738 10.291 1.00 0.00 O ATOM 0 H ASP A 71 -6.533 11.560 6.195 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.507 13.327 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.004 12.122 8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.758 10.890 8.272 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.194 12.255 6.476 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.879 11.705 6.196 1.00 0.00 C ATOM 1065 C LYS A 72 -0.142 11.460 7.515 1.00 0.00 C ATOM 1066 O LYS A 72 0.933 10.863 7.527 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.116 12.608 5.224 1.00 0.00 C ATOM 1068 CG LYS A 72 0.575 13.752 5.967 1.00 0.00 C ATOM 1069 CD LYS A 72 1.171 14.763 4.984 1.00 0.00 C ATOM 1070 CE LYS A 72 0.465 16.116 5.094 1.00 0.00 C ATOM 1071 NZ LYS A 72 1.327 17.195 4.561 1.00 0.00 N ATOM 0 H LYS A 72 -2.190 13.214 6.823 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.968 10.741 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.626 12.021 4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.804 13.014 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.141 14.252 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.363 13.352 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.235 14.887 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.080 14.383 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.475 16.088 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.218 16.321 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.833 18.106 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.213 17.231 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.541 17.006 3.561 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.751 11.933 8.592 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.166 11.773 9.913 1.00 0.00 C ATOM 1087 C ASN A 73 -0.639 10.450 10.518 1.00 0.00 C ATOM 1088 O ASN A 73 -1.008 10.396 11.690 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.601 12.903 10.848 1.00 0.00 C ATOM 1090 CG ASN A 73 0.258 14.151 10.636 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.244 14.144 9.918 1.00 0.00 O ATOM 1092 ND2 ASN A 73 -0.170 15.222 11.300 1.00 0.00 N ATOM 0 H ASN A 73 -1.643 12.427 8.577 1.00 0.00 H new ATOM 0 HA ASN A 73 0.919 11.791 9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.649 13.144 10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.521 12.574 11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.335 16.105 11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.004 15.160 11.885 1.00 0.00 H new ATOM 1099 N THR A 74 -0.613 9.415 9.691 1.00 0.00 N ATOM 1100 CA THR A 74 -1.034 8.096 10.131 1.00 0.00 C ATOM 1101 C THR A 74 0.143 7.119 10.090 1.00 0.00 C ATOM 1102 O THR A 74 1.173 7.407 9.481 1.00 0.00 O ATOM 1103 CB THR A 74 -2.214 7.661 9.259 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.786 7.943 7.930 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.443 8.553 9.451 1.00 0.00 C ATOM 0 H THR A 74 -0.307 9.463 8.719 1.00 0.00 H new ATOM 0 HA THR A 74 -1.366 8.113 11.169 1.00 0.00 H new ATOM 0 HB THR A 74 -2.475 6.628 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.188 7.231 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.251 8.202 8.810 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.762 8.513 10.492 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.192 9.580 9.188 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.048 5.984 10.746 1.00 0.00 N ATOM 1114 CA LYS A 75 0.985 4.963 10.792 1.00 0.00 C ATOM 1115 C LYS A 75 1.304 4.502 9.368 1.00 0.00 C ATOM 1116 O LYS A 75 2.465 4.272 9.032 1.00 0.00 O ATOM 1117 CB LYS A 75 0.573 3.826 11.729 1.00 0.00 C ATOM 1118 CG LYS A 75 1.732 2.851 11.950 1.00 0.00 C ATOM 1119 CD LYS A 75 2.612 3.301 13.118 1.00 0.00 C ATOM 1120 CE LYS A 75 3.734 4.223 12.635 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.879 4.179 13.572 1.00 0.00 N ATOM 0 H LYS A 75 -0.903 5.749 11.250 1.00 0.00 H new ATOM 0 HA LYS A 75 1.906 5.371 11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.251 4.237 12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.280 3.294 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.340 1.854 12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.332 2.783 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.003 3.820 13.858 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.040 2.429 13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.059 3.920 11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.363 5.245 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.632 4.810 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.568 4.490 14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.242 3.206 13.631 1.00 0.00 H new ATOM 1135 N PHE A 76 0.254 4.380 8.571 1.00 0.00 N ATOM 1136 CA PHE A 76 0.407 3.950 7.191 1.00 0.00 C ATOM 1137 C PHE A 76 0.049 5.079 6.222 1.00 0.00 C ATOM 1138 O PHE A 76 -0.619 6.039 6.602 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.559 2.783 6.976 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.385 1.639 7.976 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.773 1.521 8.680 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.388 0.739 8.161 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.934 0.458 9.608 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.227 -0.323 9.089 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.069 -0.441 9.793 1.00 0.00 C ATOM 0 H PHE A 76 -0.707 4.571 8.854 1.00 0.00 H new ATOM 0 HA PHE A 76 1.441 3.661 7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.582 3.155 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.423 2.394 5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.570 2.235 8.533 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.307 0.832 7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.853 0.364 10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.024 -1.037 9.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.054 -1.249 10.499 1.00 0.00 H new ATOM 1155 N LYS A 77 0.510 4.925 4.989 1.00 0.00 N ATOM 1156 CA LYS A 77 0.247 5.919 3.963 1.00 0.00 C ATOM 1157 C LYS A 77 -1.239 5.890 3.599 1.00 0.00 C ATOM 1158 O LYS A 77 -1.920 4.893 3.837 1.00 0.00 O ATOM 1159 CB LYS A 77 1.177 5.713 2.766 1.00 0.00 C ATOM 1160 CG LYS A 77 2.607 5.420 3.227 1.00 0.00 C ATOM 1161 CD LYS A 77 3.628 6.024 2.261 1.00 0.00 C ATOM 1162 CE LYS A 77 4.755 6.725 3.022 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.233 7.902 3.752 1.00 0.00 N ATOM 0 H LYS A 77 1.064 4.127 4.678 1.00 0.00 H new ATOM 0 HA LYS A 77 0.464 6.919 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.812 4.888 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.169 6.603 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.761 5.827 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.758 4.343 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.044 5.240 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.132 6.736 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.216 6.029 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.533 7.037 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.001 8.587 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.475 8.347 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.855 7.600 4.673 1.00 0.00 H new ATOM 1177 N SER A 78 -1.698 6.994 3.029 1.00 0.00 N ATOM 1178 CA SER A 78 -3.091 7.107 2.629 1.00 0.00 C ATOM 1179 C SER A 78 -3.190 7.233 1.108 1.00 0.00 C ATOM 1180 O SER A 78 -2.358 6.693 0.381 1.00 0.00 O ATOM 1181 CB SER A 78 -3.762 8.303 3.307 1.00 0.00 C ATOM 1182 OG SER A 78 -3.469 9.528 2.641 1.00 0.00 O ATOM 0 H SER A 78 -1.130 7.819 2.834 1.00 0.00 H new ATOM 0 HA SER A 78 -3.613 6.204 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.841 8.150 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.430 8.365 4.343 1.00 0.00 H new ATOM 0 HG SER A 78 -3.716 10.281 3.217 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.215 7.951 0.672 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.434 8.155 -0.750 1.00 0.00 C ATOM 1190 C CYS A 79 -4.039 9.592 -1.095 1.00 0.00 C ATOM 1191 O CYS A 79 -3.441 9.841 -2.141 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.879 7.848 -1.150 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.431 6.142 -0.785 1.00 0.00 S ATOM 0 H CYS A 79 -4.903 8.398 1.278 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.814 7.462 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.540 8.546 -0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.992 8.030 -2.219 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.390 10.500 -0.197 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.080 11.906 -0.393 1.00 0.00 C ATOM 1200 C VAL A 80 -2.626 12.164 0.007 1.00 0.00 C ATOM 1201 O VAL A 80 -1.968 13.036 -0.559 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.076 12.775 0.379 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.669 14.249 0.331 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.498 12.580 -0.150 1.00 0.00 C ATOM 0 H VAL A 80 -4.886 10.290 0.669 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.181 12.176 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.061 12.458 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.393 14.845 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.682 14.369 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.642 14.585 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.186 13.209 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.536 12.857 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.787 11.535 -0.039 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.168 11.390 0.980 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.803 11.523 1.462 1.00 0.00 C ATOM 1216 C GLY A 81 0.201 11.333 0.324 1.00 0.00 C ATOM 1217 O GLY A 81 0.855 12.285 -0.097 1.00 0.00 O ATOM 0 H GLY A 81 -2.717 10.669 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.667 12.506 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.616 10.786 2.243 1.00 0.00 H new ATOM 1221 N CYS A 82 0.293 10.095 -0.141 1.00 0.00 N ATOM 1222 CA CYS A 82 1.207 9.768 -1.222 1.00 0.00 C ATOM 1223 C CYS A 82 1.089 10.852 -2.296 1.00 0.00 C ATOM 1224 O CYS A 82 2.093 11.360 -2.791 1.00 0.00 O ATOM 1225 CB CYS A 82 0.936 8.373 -1.789 1.00 0.00 C ATOM 1226 SG CYS A 82 2.346 7.833 -2.822 1.00 0.00 S ATOM 0 H CYS A 82 -0.250 9.307 0.211 1.00 0.00 H new ATOM 0 HA CYS A 82 2.228 9.743 -0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.778 7.665 -0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.022 8.384 -2.383 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.159 11.182 -2.630 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.469 12.194 -3.633 1.00 0.00 C ATOM 1233 C HIS A 83 0.175 13.535 -3.236 1.00 0.00 C ATOM 1234 O HIS A 83 0.628 14.283 -4.101 1.00 0.00 O ATOM 1235 CB HIS A 83 -1.992 12.256 -3.822 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.616 11.174 -4.673 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.711 11.379 -5.410 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.257 9.863 -4.879 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.023 10.241 -6.050 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.158 9.273 -5.757 1.00 0.00 N ATOM 0 H HIS A 83 -0.983 10.752 -2.210 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.044 11.938 -4.603 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.458 12.225 -2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.241 13.221 -4.263 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.226 12.257 -5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.408 9.369 -4.429 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.866 10.126 -6.716 1.00 0.00 H new ATOM 1248 N VAL A 84 0.195 13.791 -1.936 1.00 0.00 N ATOM 1249 CA VAL A 84 0.775 15.022 -1.425 1.00 0.00 C ATOM 1250 C VAL A 84 2.300 14.934 -1.506 1.00 0.00 C ATOM 1251 O VAL A 84 2.968 15.928 -1.784 1.00 0.00 O ATOM 1252 CB VAL A 84 0.266 15.290 -0.007 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.934 16.530 0.589 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.258 15.426 0.012 1.00 0.00 C ATOM 0 H VAL A 84 -0.181 13.168 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 84 0.466 15.872 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 84 0.534 14.434 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.555 16.698 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.013 16.379 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.711 17.397 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.594 15.616 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.557 16.255 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.710 14.504 -0.353 1.00 0.00 H new ATOM 1264 N GLU A 85 2.806 13.735 -1.258 1.00 0.00 N ATOM 1265 CA GLU A 85 4.240 13.504 -1.300 1.00 0.00 C ATOM 1266 C GLU A 85 4.713 13.363 -2.748 1.00 0.00 C ATOM 1267 O GLU A 85 5.914 13.344 -3.013 1.00 0.00 O ATOM 1268 CB GLU A 85 4.621 12.272 -0.476 1.00 0.00 C ATOM 1269 CG GLU A 85 5.366 12.674 0.798 1.00 0.00 C ATOM 1270 CD GLU A 85 6.582 13.544 0.471 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.802 13.781 -0.736 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.264 13.951 1.436 1.00 0.00 O ATOM 0 H GLU A 85 2.248 12.913 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 85 4.740 14.365 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.723 11.712 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.247 11.609 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.693 13.218 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.687 11.780 1.333 1.00 0.00 H new ATOM 1279 N VAL A 86 3.744 13.269 -3.647 1.00 0.00 N ATOM 1280 CA VAL A 86 4.047 13.131 -5.062 1.00 0.00 C ATOM 1281 C VAL A 86 4.274 14.517 -5.668 1.00 0.00 C ATOM 1282 O VAL A 86 5.270 14.743 -6.354 1.00 0.00 O ATOM 1283 CB VAL A 86 2.934 12.348 -5.761 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.108 12.386 -7.280 1.00 0.00 C ATOM 1285 CG2 VAL A 86 2.874 10.907 -5.252 1.00 0.00 C ATOM 0 H VAL A 86 2.749 13.286 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 86 4.965 12.561 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 86 1.985 12.828 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.304 11.822 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.077 13.420 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.067 11.943 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.074 10.373 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.825 10.412 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.680 10.908 -4.179 1.00 0.00 H new ATOM 1295 N ALA A 87 3.335 15.410 -5.393 1.00 0.00 N ATOM 1296 CA ALA A 87 3.420 16.768 -5.903 1.00 0.00 C ATOM 1297 C ALA A 87 4.832 17.308 -5.667 1.00 0.00 C ATOM 1298 O ALA A 87 5.639 16.673 -4.990 1.00 0.00 O ATOM 1299 CB ALA A 87 2.347 17.631 -5.238 1.00 0.00 C ATOM 0 H ALA A 87 2.511 15.220 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 87 3.234 16.788 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.411 18.650 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.362 17.221 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.503 17.638 -4.159 1.00 0.00 H new ATOM 1305 N GLY A 88 5.087 18.476 -6.239 1.00 0.00 N ATOM 1306 CA GLY A 88 6.388 19.109 -6.100 1.00 0.00 C ATOM 1307 C GLY A 88 6.254 20.632 -6.060 1.00 0.00 C ATOM 1308 O GLY A 88 6.613 21.265 -5.067 1.00 0.00 O ATOM 0 H GLY A 88 4.415 19.000 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.871 18.759 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.029 18.818 -6.932 1.00 0.00 H new ATOM 1312 N ALA A 89 5.737 21.178 -7.151 1.00 0.00 N ATOM 1313 CA ALA A 89 5.551 22.616 -7.252 1.00 0.00 C ATOM 1314 C ALA A 89 4.521 22.917 -8.342 1.00 0.00 C ATOM 1315 O ALA A 89 4.589 23.957 -8.996 1.00 0.00 O ATOM 1316 CB ALA A 89 6.899 23.287 -7.524 1.00 0.00 C ATOM 0 H ALA A 89 5.441 20.651 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 89 5.168 23.020 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.760 24.365 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.587 23.066 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.312 22.908 -8.459 1.00 0.00 H new ATOM 1322 N ASP A 90 3.590 21.988 -8.505 1.00 0.00 N ATOM 1323 CA ASP A 90 2.546 22.141 -9.504 1.00 0.00 C ATOM 1324 C ASP A 90 1.246 22.563 -8.816 1.00 0.00 C ATOM 1325 O ASP A 90 0.786 21.898 -7.890 1.00 0.00 O ATOM 1326 CB ASP A 90 2.287 20.823 -10.236 1.00 0.00 C ATOM 1327 CG ASP A 90 1.315 20.918 -11.413 1.00 0.00 C ATOM 1328 OD1 ASP A 90 1.160 22.044 -11.933 1.00 0.00 O ATOM 1329 OD2 ASP A 90 0.748 19.861 -11.768 1.00 0.00 O ATOM 0 H ASP A 90 3.537 21.126 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 90 2.873 22.894 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.238 20.434 -10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.899 20.098 -9.521 1.00 0.00 H new ATOM 1334 N ALA A 91 0.691 23.666 -9.297 1.00 0.00 N ATOM 1335 CA ALA A 91 -0.547 24.184 -8.740 1.00 0.00 C ATOM 1336 C ALA A 91 -1.733 23.581 -9.495 1.00 0.00 C ATOM 1337 O ALA A 91 -2.814 24.167 -9.532 1.00 0.00 O ATOM 1338 CB ALA A 91 -0.534 25.713 -8.802 1.00 0.00 C ATOM 0 H ALA A 91 1.076 24.215 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.644 23.900 -7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.463 26.102 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.310 26.093 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.440 26.034 -9.839 1.00 0.00 H new ATOM 1344 N ALA A 92 -1.491 22.417 -10.080 1.00 0.00 N ATOM 1345 CA ALA A 92 -2.525 21.727 -10.832 1.00 0.00 C ATOM 1346 C ALA A 92 -2.673 20.301 -10.298 1.00 0.00 C ATOM 1347 O ALA A 92 -3.777 19.868 -9.972 1.00 0.00 O ATOM 1348 CB ALA A 92 -2.180 21.759 -12.322 1.00 0.00 C ATOM 0 H ALA A 92 -0.593 21.934 -10.048 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.486 22.226 -10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.956 21.241 -12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.116 22.794 -12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.222 21.265 -12.484 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.545 19.610 -10.226 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.536 18.242 -9.737 1.00 0.00 C ATOM 1356 C LYS A 93 -1.946 18.229 -8.263 1.00 0.00 C ATOM 1357 O LYS A 93 -2.506 17.246 -7.780 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.179 17.587 -10.004 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.179 16.851 -11.345 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.072 15.609 -11.288 1.00 0.00 C ATOM 1361 CE LYS A 93 -0.928 14.772 -12.560 1.00 0.00 C ATOM 1362 NZ LYS A 93 0.105 15.351 -13.448 1.00 0.00 N ATOM 0 H LYS A 93 -0.631 19.972 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.267 17.639 -10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.602 18.347 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.055 16.888 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.530 17.520 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.839 16.560 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.807 15.006 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.112 15.910 -11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.660 13.748 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.883 14.728 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.154 14.800 -14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.141 16.337 -13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.028 15.323 -12.970 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.651 19.331 -7.590 1.00 0.00 N ATOM 1377 CA LYS A 94 -1.982 19.459 -6.181 1.00 0.00 C ATOM 1378 C LYS A 94 -3.443 19.891 -6.042 1.00 0.00 C ATOM 1379 O LYS A 94 -3.919 20.135 -4.935 1.00 0.00 O ATOM 1380 CB LYS A 94 -0.995 20.395 -5.481 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.374 21.860 -5.708 1.00 0.00 C ATOM 1382 CD LYS A 94 -1.740 22.542 -4.388 1.00 0.00 C ATOM 1383 CE LYS A 94 -2.197 23.983 -4.624 1.00 0.00 C ATOM 1384 NZ LYS A 94 -1.034 24.860 -4.881 1.00 0.00 N ATOM 0 H LYS A 94 -1.186 20.144 -7.994 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.884 18.497 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.980 20.181 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.012 20.214 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.542 22.387 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.216 21.919 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.533 21.982 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.879 22.535 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.882 24.019 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.747 24.343 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.157 25.758 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.166 24.391 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.960 25.048 -5.901 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.114 19.971 -7.182 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.511 20.369 -7.201 1.00 0.00 C ATOM 1400 C LYS A 95 -6.328 19.314 -7.949 1.00 0.00 C ATOM 1401 O LYS A 95 -7.541 19.453 -8.098 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.658 21.781 -7.774 1.00 0.00 C ATOM 1403 CG LYS A 95 -5.663 22.828 -6.658 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.193 24.169 -7.168 1.00 0.00 C ATOM 1405 CE LYS A 95 -6.549 25.096 -6.004 1.00 0.00 C ATOM 1406 NZ LYS A 95 -6.118 26.482 -6.295 1.00 0.00 N ATOM 0 H LYS A 95 -3.716 19.767 -8.099 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.907 20.418 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.839 21.984 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.583 21.850 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.281 22.480 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.653 22.956 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.443 24.644 -7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.074 24.004 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.625 25.073 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.069 24.744 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.367 27.098 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.088 26.502 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.595 26.821 -7.155 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.630 18.282 -8.400 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.275 17.204 -9.129 1.00 0.00 C ATOM 1422 C ASP A 96 -6.043 15.884 -8.390 1.00 0.00 C ATOM 1423 O ASP A 96 -6.854 14.964 -8.487 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.693 17.065 -10.538 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.466 18.386 -11.276 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.058 19.393 -10.832 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.707 18.358 -12.268 1.00 0.00 O ATOM 0 H ASP A 96 -4.624 18.170 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.338 17.434 -9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.743 16.535 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.364 16.444 -11.132 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.933 15.834 -7.669 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.585 14.642 -6.914 1.00 0.00 C ATOM 1434 C LEU A 97 -5.088 14.790 -5.476 1.00 0.00 C ATOM 1435 O LEU A 97 -5.583 13.830 -4.887 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.084 14.364 -7.015 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.517 14.249 -8.431 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.084 13.712 -8.406 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.431 13.404 -9.320 1.00 0.00 C ATOM 0 H LEU A 97 -4.263 16.599 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.077 13.766 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.551 15.160 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.870 13.437 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.478 15.248 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.705 13.640 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.452 14.388 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.073 12.725 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.005 13.338 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.524 12.403 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.416 13.868 -9.375 1.00 0.00 H new ATOM 1451 N THR A 98 -4.942 15.998 -4.953 1.00 0.00 N ATOM 1452 CA THR A 98 -5.375 16.284 -3.596 1.00 0.00 C ATOM 1453 C THR A 98 -6.679 17.085 -3.609 1.00 0.00 C ATOM 1454 O THR A 98 -7.214 17.423 -2.555 1.00 0.00 O ATOM 1455 CB THR A 98 -4.231 16.997 -2.874 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.076 18.219 -3.591 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.889 16.285 -3.058 1.00 0.00 C ATOM 0 H THR A 98 -4.530 16.791 -5.445 1.00 0.00 H new ATOM 0 HA THR A 98 -5.600 15.367 -3.052 1.00 0.00 H new ATOM 0 HB THR A 98 -4.462 17.069 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.458 18.806 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.111 16.832 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.957 15.272 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.642 16.243 -4.119 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.151 17.366 -4.815 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.381 18.121 -4.979 1.00 0.00 C ATOM 1467 C GLY A 99 -9.577 17.351 -4.415 1.00 0.00 C ATOM 1468 O GLY A 99 -9.573 16.121 -4.391 1.00 0.00 O ATOM 0 H GLY A 99 -6.704 17.084 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.292 19.082 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.545 18.331 -6.036 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.572 18.107 -3.976 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.772 17.511 -3.413 1.00 0.00 C ATOM 1474 C CYS A 100 -12.919 17.712 -4.406 1.00 0.00 C ATOM 1475 O CYS A 100 -13.930 17.014 -4.342 1.00 0.00 O ATOM 1476 CB CYS A 100 -12.101 18.092 -2.037 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.657 18.722 -1.105 1.00 0.00 S ATOM 0 H CYS A 100 -10.572 19.127 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.611 16.445 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -12.817 18.904 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.593 17.323 -1.441 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.723 18.669 -5.301 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.729 18.970 -6.306 1.00 0.00 C ATOM 1484 C LYS A 101 -13.072 18.989 -7.688 1.00 0.00 C ATOM 1485 O LYS A 101 -12.121 19.734 -7.918 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.463 20.266 -5.957 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.347 20.726 -7.119 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.338 19.632 -7.520 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.085 20.011 -8.800 1.00 0.00 C ATOM 1490 NZ LYS A 101 -16.146 20.098 -9.941 1.00 0.00 N ATOM 0 H LYS A 101 -11.883 19.246 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.493 18.193 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.075 20.113 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.739 21.044 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.890 21.627 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.723 20.988 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.807 18.692 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.052 19.469 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.856 19.270 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.591 20.967 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.680 20.068 -10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.614 20.990 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.483 19.297 -9.907 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.607 18.160 -8.573 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.085 18.072 -9.926 1.00 0.00 C ATOM 1506 C LYS A 102 -11.849 17.171 -9.934 1.00 0.00 C ATOM 1507 O LYS A 102 -11.271 16.913 -10.988 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.832 19.469 -10.495 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.448 19.615 -11.888 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.008 20.923 -12.548 1.00 0.00 C ATOM 1511 CE LYS A 102 -13.543 22.132 -11.779 1.00 0.00 C ATOM 1512 NZ LYS A 102 -14.014 23.176 -12.717 1.00 0.00 N ATOM 0 H LYS A 102 -14.396 17.544 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.819 17.612 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.254 20.219 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.759 19.655 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.151 18.771 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.535 19.589 -11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.920 20.966 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.367 20.954 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.361 21.824 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.761 22.537 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.374 23.990 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.224 23.482 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.775 22.791 -13.312 1.00 0.00 H new ATOM 1526 N SER A 103 -11.479 16.718 -8.745 1.00 0.00 N ATOM 1527 CA SER A 103 -10.321 15.852 -8.601 1.00 0.00 C ATOM 1528 C SER A 103 -10.634 14.463 -9.162 1.00 0.00 C ATOM 1529 O SER A 103 -11.797 14.077 -9.259 1.00 0.00 O ATOM 1530 CB SER A 103 -9.889 15.748 -7.137 1.00 0.00 C ATOM 1531 OG SER A 103 -8.793 14.854 -6.966 1.00 0.00 O ATOM 0 H SER A 103 -11.961 16.934 -7.872 1.00 0.00 H new ATOM 0 HA SER A 103 -9.496 16.288 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.611 16.736 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.731 15.409 -6.534 1.00 0.00 H new ATOM 0 HG SER A 103 -8.176 14.944 -7.722 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.574 13.750 -9.516 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.721 12.413 -10.065 1.00 0.00 C ATOM 1539 C LYS A 104 -10.487 11.539 -9.069 1.00 0.00 C ATOM 1540 O LYS A 104 -11.166 10.592 -9.463 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.358 11.844 -10.461 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.090 12.048 -11.953 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.638 13.481 -12.238 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.264 13.499 -12.912 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.390 13.193 -14.354 1.00 0.00 N ATOM 0 H LYS A 104 -8.610 14.073 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.308 12.440 -10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.575 12.328 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.321 10.781 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.324 11.348 -12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.993 11.828 -12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.368 13.976 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.597 14.045 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.801 14.477 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.609 12.770 -12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.449 13.209 -14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.812 12.250 -14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.998 13.904 -14.808 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.352 11.889 -7.798 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.023 11.148 -6.743 1.00 0.00 C ATOM 1561 C CYS A 105 -12.469 11.638 -6.657 1.00 0.00 C ATOM 1562 O CYS A 105 -13.396 10.939 -7.061 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.294 11.285 -5.405 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.552 10.751 -5.583 1.00 0.00 S ATOM 0 H CYS A 105 -9.788 12.675 -7.475 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.014 10.084 -6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.333 12.320 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.792 10.681 -4.647 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.623 12.850 -6.124 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.927 13.483 -5.960 1.00 0.00 C ATOM 1571 C HIS A 106 -14.261 14.319 -7.210 1.00 0.00 C ATOM 1572 O HIS A 106 -14.518 15.517 -7.102 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.931 14.281 -4.647 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.767 13.488 -3.371 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.717 12.674 -2.902 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.725 13.414 -2.478 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.285 12.115 -1.761 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.060 12.537 -1.453 1.00 0.00 N ATOM 0 H HIS A 106 -11.844 13.420 -5.794 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.722 12.742 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.130 15.019 -4.695 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.869 14.833 -4.587 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.623 12.505 -3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.792 13.953 -2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.856 11.414 -1.170 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.246 13.655 -8.356 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.543 14.323 -9.612 1.00 0.00 C ATOM 1588 C GLU A 107 -16.057 14.424 -9.813 1.00 0.00 C ATOM 1589 O GLU A 107 -16.816 14.432 -8.846 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.881 13.602 -10.787 1.00 0.00 C ATOM 1591 CG GLU A 107 -13.059 14.575 -11.635 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.336 14.372 -13.126 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -13.513 13.198 -13.516 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.364 15.396 -13.842 1.00 0.00 O ATOM 0 H GLU A 107 -14.033 12.661 -8.441 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.133 15.332 -9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.237 12.806 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.645 13.130 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.299 15.600 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.997 14.429 -11.436 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.166 -4.071 -3.935 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.621 -4.590 -3.678 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.753 -7.440 -4.480 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.847 -3.533 -4.358 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.703 -0.714 -3.249 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.438 -5.670 -4.073 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.811 -5.699 -3.902 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.299 -7.055 -3.990 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.229 -7.848 -4.212 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.069 -6.990 -4.265 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.203 -9.339 -4.379 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.737 -7.461 -3.852 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.025 -8.319 -2.624 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.189 -9.784 -3.004 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.726 -10.631 -2.210 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.772 -10.028 -4.082 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.638 -5.244 -4.331 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.635 -6.614 -4.532 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.296 -7.077 -4.806 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.488 -5.996 -4.773 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.319 -4.853 -4.478 1.00 0.00 C HETATM 1623 CMB HEC A 108 -1.918 -8.505 -5.073 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.004 -5.945 -4.994 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.470 -6.736 -6.209 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.040 -2.425 -3.914 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.668 -2.384 -4.097 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.167 -1.056 -3.834 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.227 -0.292 -3.493 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.394 -1.140 -3.541 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.727 -0.646 -3.935 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.237 1.163 -3.126 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.032 1.943 -3.645 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.826 -2.884 -3.583 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.821 -1.541 -3.250 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.152 -1.107 -2.897 1.00 0.00 C HETATM 1637 C3D HEC A 108 -8.963 -2.179 -3.014 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.142 -3.288 -3.441 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.519 0.288 -2.482 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.441 -2.253 -2.761 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.821 -2.196 -1.284 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.331 -2.115 -1.109 1.00 0.00 C HETATM 1643 O1D HEC A 108 -13.034 -2.464 -2.082 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.753 -1.706 -0.007 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -7.962 0.559 -1.585 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.274 0.983 -3.285 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.588 0.336 -2.273 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.130 -1.240 -3.243 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.373 -0.810 -4.953 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.631 0.410 -3.683 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.183 -9.119 -4.212 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.452 -8.864 -5.953 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -0.844 -8.570 -5.248 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.596 -9.813 -3.479 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.817 -9.620 -5.235 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.177 -9.669 -4.545 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -10.440 -3.080 -0.773 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.351 -1.330 -0.818 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.117 1.515 -3.235 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.003 1.886 -4.733 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.114 2.986 -3.338 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.199 -7.785 -6.089 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.002 -6.340 -7.108 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.553 -6.649 -6.300 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -9.212 -8.215 -1.906 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -10.931 -7.964 -2.133 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -10.930 -1.431 -3.284 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.827 -3.178 -3.190 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.354 -6.564 -3.808 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.036 -8.011 -4.745 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.851 0.338 -3.005 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.775 -3.370 -4.472 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.599 -8.511 -4.615 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.701 -4.740 -3.687 1.00 0.00 H new HETATM 0 H2D HEC A 108 -12.754 -0.726 -0.000 1.00 0.00 H new HETATM 0 H2A HEC A 108 -10.814 -10.997 -4.219 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.543 -0.183 8.246 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.683 1.500 10.768 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.603 2.277 6.048 1.00 0.00 C HETATM 1680 CHC HEC A 109 -8.031 -1.939 5.810 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.492 -2.478 10.667 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.359 1.522 8.395 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.723 2.066 9.498 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.098 3.319 9.148 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.351 3.538 7.840 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.136 2.422 7.367 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.920 4.703 6.997 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.320 4.185 10.096 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.125 5.339 10.685 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.361 6.023 11.810 1.00 0.00 C HETATM 1691 O1A HEC A 109 -3.771 7.146 12.175 1.00 0.00 O HETATM 1692 O2A HEC A 109 -2.381 5.409 12.284 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.784 0.132 6.352 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.295 1.168 5.574 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.604 0.938 4.182 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.277 -0.230 4.113 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.391 -0.735 5.460 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.226 1.855 3.056 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.821 -0.912 2.891 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.775 -1.180 1.812 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.539 -1.869 8.267 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.222 -2.383 7.178 1.00 0.00 C HETATM 1703 C2C HEC A 109 -9.054 -3.491 7.586 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.879 -3.650 8.915 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.937 -2.643 9.343 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.934 -4.288 6.668 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.519 -4.665 9.816 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.249 -6.112 9.413 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.161 -0.433 10.302 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.657 -1.452 11.097 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.185 -1.304 12.454 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.406 -0.202 12.485 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.388 0.343 11.148 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.524 -2.228 13.587 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.679 0.383 13.661 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.258 -0.147 13.837 1.00 0.00 C HETATM 1717 CGD HEC A 109 -3.262 -1.643 14.114 1.00 0.00 C HETATM 1718 O1D HEC A 109 -3.115 -2.001 15.303 1.00 0.00 O HETATM 1719 O2D HEC A 109 -3.411 -2.402 13.132 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.604 -2.239 13.737 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.180 -3.235 13.351 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -6.035 -1.882 14.497 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.669 -3.629 6.205 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.325 -4.753 5.893 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.449 -5.062 7.238 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.679 2.834 3.216 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.142 1.958 3.019 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.583 1.440 2.113 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.324 5.625 7.416 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.832 4.758 6.982 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.291 4.573 5.980 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.676 0.058 12.938 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.770 0.377 14.659 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.633 -6.287 8.408 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.175 -6.300 9.429 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.746 -6.783 10.113 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.339 -0.236 1.486 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.992 -1.821 2.216 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.247 -1.674 0.963 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.353 6.064 9.903 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.077 4.967 11.062 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.641 1.467 13.549 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.248 0.176 14.567 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -2.942 3.566 10.910 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.453 4.590 9.574 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.825 -3.205 11.408 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.405 -2.574 5.007 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.409 3.091 5.349 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.063 1.986 11.521 1.00 0.00 H new HETATM 0 H2D HEC A 109 -3.394 -3.334 13.434 1.00 0.00 H new HETATM 0 H2A HEC A 109 -2.450 5.388 13.261 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.078 7.444 -6.317 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.857 8.607 -9.648 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.567 7.552 -6.674 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.442 6.034 -3.260 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.304 7.488 -6.116 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.433 7.948 -7.869 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.135 8.448 -9.124 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.349 8.788 -9.829 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.380 8.496 -9.007 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.814 7.973 -7.786 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.848 8.667 -9.269 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.406 9.357 -11.216 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.630 8.313 -12.307 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.875 8.677 -13.577 1.00 0.00 C HETATM 1766 O1A HEC A 110 -5.483 9.373 -14.419 1.00 0.00 O HETATM 1767 O2A HEC A 110 -3.704 8.252 -13.683 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.685 6.962 -5.192 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.028 6.976 -5.529 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.805 6.301 -4.516 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.942 5.880 -3.568 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.621 6.288 -3.985 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.296 6.126 -4.553 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.250 5.127 -2.307 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.332 4.063 -2.468 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.820 6.931 -4.970 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.106 6.368 -3.739 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.885 6.068 -3.029 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.139 6.446 -3.824 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.439 6.984 -5.033 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.815 5.450 -1.663 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.610 6.345 -3.546 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.983 5.232 -2.571 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.596 7.940 -7.623 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.245 7.896 -7.327 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.531 8.337 -8.462 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.342 8.648 -9.443 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.667 8.403 -8.925 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.030 8.418 -8.499 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.040 9.155 -10.823 1.00 0.00 C HETATM 1791 CBD HEC A 110 0.083 10.674 -10.914 1.00 0.00 C HETATM 1792 CGD HEC A 110 1.197 11.188 -10.013 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.856 11.702 -8.926 1.00 0.00 O HETATM 1794 O2D HEC A 110 2.368 11.057 -10.429 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.377 9.103 -7.725 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.452 7.429 -8.324 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.351 8.782 -9.475 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.326 6.093 -0.946 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.297 4.472 -1.681 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.228 5.335 -1.369 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.777 7.104 -4.575 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.574 5.565 -5.445 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.621 5.582 -3.666 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.063 9.718 -9.462 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.134 8.072 -10.136 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.414 8.335 -8.399 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.282 10.965 -11.946 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -0.862 11.136 -10.629 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.487 5.404 -1.616 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.666 4.271 -2.977 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 3.063 5.225 -2.423 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.259 4.533 -2.796 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -7.014 3.331 -3.210 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.496 3.564 -1.513 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.302 7.336 -11.953 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.695 8.232 -12.524 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.890 8.704 -11.169 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.826 8.823 -11.501 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.208 10.094 -11.263 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.475 9.886 -11.419 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.385 7.564 -5.998 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.533 5.560 -2.283 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.648 7.687 -6.713 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.771 8.911 -10.691 1.00 0.00 H new HETATM 0 H2D HEC A 110 2.968 11.624 -9.901 1.00 0.00 H new HETATM 0 H2A HEC A 110 -3.325 8.547 -14.537 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.015 12.089 0.045 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.150 9.694 1.310 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.513 14.486 1.905 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.580 14.339 -0.965 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.524 9.594 -1.941 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.531 12.082 1.307 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.269 11.004 1.763 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.193 11.427 2.789 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.018 12.755 2.956 1.00 0.00 C HETATM 1836 C4A HEC A 111 -13.985 13.167 2.036 1.00 0.00 C HETATM 1837 CMA HEC A 111 -15.738 13.669 3.905 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.150 10.523 3.508 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.122 10.670 5.027 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.515 10.940 5.577 1.00 0.00 C HETATM 1841 O1A HEC A 111 -18.076 11.996 5.210 1.00 0.00 O HETATM 1842 O2A HEC A 111 -17.994 10.086 6.354 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.600 13.992 0.427 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.392 14.853 1.167 1.00 0.00 C HETATM 1845 C2B HEC A 111 -11.891 16.204 1.069 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.801 16.166 0.275 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.616 14.792 -0.128 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.502 17.397 1.744 1.00 0.00 C HETATM 1849 CAB HEC A 111 -9.919 17.308 -0.139 1.00 0.00 C HETATM 1850 CBB HEC A 111 -9.103 17.907 1.003 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.322 11.944 -1.184 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.490 12.985 -1.558 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.585 12.555 -2.597 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.863 11.259 -2.855 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.944 10.875 -1.978 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.543 13.422 -3.242 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.203 10.353 -3.852 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.679 10.346 -3.771 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.314 10.069 -0.311 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.532 9.209 -1.063 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.908 7.838 -0.809 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.913 7.863 0.092 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.169 9.249 0.405 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.271 6.640 -1.451 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.652 6.698 0.683 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.558 5.971 -0.306 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.332 4.854 0.380 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.482 4.615 -0.049 1.00 0.00 O HETATM 1869 O2D HEC A 111 -14.761 4.260 1.319 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.394 6.698 -2.532 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.209 6.618 -1.208 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.747 5.732 -1.080 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -8.024 14.276 -3.719 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.844 13.776 -2.484 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -7.003 12.845 -3.992 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.528 17.524 1.399 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.498 17.246 2.823 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -11.924 18.288 1.501 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -16.806 13.653 3.686 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -15.572 13.334 4.929 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.359 14.685 3.790 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.255 6.679 -0.754 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -13.959 5.558 -1.117 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.300 11.352 -3.951 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.369 10.014 -2.780 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.278 9.667 -4.523 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.776 18.284 1.773 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.457 17.140 1.430 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.492 18.726 0.623 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.720 9.762 5.476 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.454 11.485 5.304 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -12.929 5.989 1.086 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.254 7.050 1.520 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.161 10.724 3.152 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -15.921 9.489 3.249 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.158 8.851 -2.650 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.779 15.041 -1.196 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.064 15.275 2.417 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.866 8.962 1.682 1.00 0.00 H new HETATM 0 H2D HEC A 111 -14.966 4.711 2.164 1.00 0.00 H new HETATM 0 H2A HEC A 111 -18.765 10.467 6.823 1.00 0.00 H new