USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 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 17 HIS HE2 : A 17 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 27 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAC : A 102 HEC CAC : A 54 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAB : A 102 HEC CAB : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAC : A 103 HEC CAC : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAB : A 103 HEC CAB : A 65 CYS SG :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -125:sc= 0.152 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.55! C(o=-1.5!,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.52! C(o=-1.5!,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 1.21 (180deg=-0.271) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -161:sc= -0.0631 (180deg=-0.783) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 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 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEC O2A : rot 165:sc= 0 USER MOD Single : A 101 HEC O2D : rot 50:sc= -2.83 USER MOD Single : A 102 HEC O2A : rot 180:sc= 0 USER MOD Single : A 102 HEC O2D : rot -100:sc= -2.96! USER MOD Single : A 103 HEC O2A : rot 90:sc= 0.294 USER MOD Single : A 103 HEC O2D : rot -101:sc= -0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.763 1.088 1.747 1.00 1.00 N ATOM 2 CA ALA A 1 2.300 1.200 0.402 1.00 1.00 C ATOM 3 C ALA A 1 1.673 2.409 -0.294 1.00 1.00 C ATOM 4 O ALA A 1 0.962 3.192 0.335 1.00 1.00 O ATOM 5 CB ALA A 1 2.048 -0.104 -0.358 1.00 1.00 C ATOM 0 H1 ALA A 1 2.545 1.072 2.433 1.00 1.00 H new ATOM 0 H2 ALA A 1 1.147 1.902 1.944 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.212 0.210 1.829 1.00 1.00 H new ATOM 0 HA ALA A 1 3.378 1.358 0.431 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.451 -0.020 -1.367 1.00 1.00 H new ATOM 0 HB2 ALA A 1 2.538 -0.928 0.161 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.976 -0.294 -0.410 1.00 1.00 H new ATOM 11 N ASP A 2 1.960 2.525 -1.583 1.00 1.00 N ATOM 12 CA ASP A 2 1.433 3.627 -2.371 1.00 1.00 C ATOM 13 C ASP A 2 -0.080 3.717 -2.165 1.00 1.00 C ATOM 14 O ASP A 2 -0.591 4.750 -1.735 1.00 1.00 O ATOM 15 CB ASP A 2 1.697 3.412 -3.862 1.00 1.00 C ATOM 16 CG ASP A 2 1.764 1.948 -4.303 1.00 1.00 C ATOM 17 OD1 ASP A 2 0.801 1.405 -4.865 1.00 1.00 O ATOM 18 OD2 ASP A 2 2.878 1.352 -4.043 1.00 1.00 O ATOM 0 H ASP A 2 2.550 1.874 -2.101 1.00 1.00 H new ATOM 0 HA ASP A 2 1.928 4.542 -2.046 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.912 3.911 -4.430 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.637 3.898 -4.123 1.00 1.00 H new ATOM 24 N ASP A 3 -0.755 2.621 -2.485 1.00 1.00 N ATOM 25 CA ASP A 3 -2.200 2.564 -2.341 1.00 1.00 C ATOM 26 C ASP A 3 -2.551 1.794 -1.067 1.00 1.00 C ATOM 27 O ASP A 3 -2.013 0.715 -0.822 1.00 1.00 O ATOM 28 CB ASP A 3 -2.842 1.838 -3.525 1.00 1.00 C ATOM 29 CG ASP A 3 -4.339 1.558 -3.376 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.018 2.151 -2.525 1.00 1.00 O ATOM 31 OD2 ASP A 3 -4.812 0.677 -4.191 1.00 1.00 O ATOM 0 H ASP A 3 -0.328 1.767 -2.843 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.576 3.586 -2.298 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.687 2.433 -4.425 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.324 0.891 -3.676 1.00 1.00 H new ATOM 37 N ILE A 4 -3.451 2.378 -0.290 1.00 1.00 N ATOM 38 CA ILE A 4 -3.880 1.760 0.953 1.00 1.00 C ATOM 39 C ILE A 4 -5.375 1.443 0.871 1.00 1.00 C ATOM 40 O ILE A 4 -6.203 2.351 0.810 1.00 1.00 O ATOM 41 CB ILE A 4 -3.503 2.638 2.147 1.00 1.00 C ATOM 42 CG1 ILE A 4 -1.994 2.883 2.192 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.026 2.041 3.455 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.531 3.198 3.617 1.00 1.00 C ATOM 0 H ILE A 4 -3.895 3.273 -0.497 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.361 0.814 1.106 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.984 3.608 2.022 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.468 2.003 1.821 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.737 3.711 1.531 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.744 2.685 4.288 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.112 1.961 3.410 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.595 1.050 3.601 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.454 3.368 3.621 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.041 4.092 3.976 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.768 2.358 4.271 1.00 1.00 H new ATOM 51 N VAL A 5 -5.675 0.152 0.870 1.00 1.00 N ATOM 52 CA VAL A 5 -7.055 -0.295 0.796 1.00 1.00 C ATOM 53 C VAL A 5 -7.620 -0.429 2.212 1.00 1.00 C ATOM 54 O VAL A 5 -7.030 -1.097 3.059 1.00 1.00 O ATOM 55 CB VAL A 5 -7.142 -1.594 -0.007 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.578 -2.123 -0.043 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.593 -1.402 -1.423 1.00 1.00 C ATOM 0 H VAL A 5 -4.986 -0.598 0.919 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.666 0.438 0.270 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.524 -2.339 0.494 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.611 -3.047 -0.620 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.920 -2.318 0.974 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.227 -1.381 -0.508 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.667 -2.341 -1.972 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.172 -0.635 -1.937 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.549 -1.094 -1.370 1.00 1.00 H new ATOM 63 N LEU A 6 -8.757 0.217 2.424 1.00 1.00 N ATOM 64 CA LEU A 6 -9.408 0.179 3.723 1.00 1.00 C ATOM 65 C LEU A 6 -10.584 -0.799 3.670 1.00 1.00 C ATOM 66 O LEU A 6 -11.734 -0.385 3.528 1.00 1.00 O ATOM 67 CB LEU A 6 -9.801 1.589 4.167 1.00 1.00 C ATOM 68 CG LEU A 6 -8.677 2.626 4.177 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.235 4.042 4.017 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.816 2.489 5.435 1.00 1.00 C ATOM 0 H LEU A 6 -9.244 0.770 1.719 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.720 -0.189 4.484 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.594 1.948 3.510 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.222 1.528 5.171 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.030 2.436 3.321 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.415 4.760 4.027 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.771 4.117 3.071 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.918 4.259 4.839 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.024 3.238 5.417 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.437 2.638 6.319 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.373 1.493 5.466 1.00 1.00 H new ATOM 78 N LYS A 7 -10.256 -2.076 3.786 1.00 1.00 N ATOM 79 CA LYS A 7 -11.269 -3.117 3.754 1.00 1.00 C ATOM 80 C LYS A 7 -12.502 -2.645 4.529 1.00 1.00 C ATOM 81 O LYS A 7 -12.413 -2.340 5.717 1.00 1.00 O ATOM 82 CB LYS A 7 -10.695 -4.441 4.258 1.00 1.00 C ATOM 83 CG LYS A 7 -9.873 -4.232 5.532 1.00 1.00 C ATOM 84 CD LYS A 7 -10.212 -5.290 6.583 1.00 1.00 C ATOM 85 CE LYS A 7 -11.541 -4.973 7.271 1.00 1.00 C ATOM 86 NZ LYS A 7 -11.318 -4.128 8.465 1.00 1.00 N ATOM 0 H LYS A 7 -9.301 -2.415 3.903 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.588 -3.306 2.729 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.506 -5.142 4.455 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.069 -4.888 3.486 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.810 -4.278 5.295 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.067 -3.238 5.935 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.267 -6.271 6.112 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.416 -5.338 7.326 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.205 -4.461 6.574 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.037 -5.899 7.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.230 -3.922 8.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -10.702 -4.630 9.136 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -10.865 -3.237 8.180 1.00 1.00 H new ATOM 99 N ALA A 8 -13.623 -2.602 3.825 1.00 1.00 N ATOM 100 CA ALA A 8 -14.872 -2.172 4.431 1.00 1.00 C ATOM 101 C ALA A 8 -15.928 -3.262 4.239 1.00 1.00 C ATOM 102 O ALA A 8 -15.844 -4.054 3.301 1.00 1.00 O ATOM 103 CB ALA A 8 -15.300 -0.833 3.828 1.00 1.00 C ATOM 0 H ALA A 8 -13.693 -2.858 2.840 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.745 -2.020 5.503 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.237 -0.512 4.283 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.529 -0.086 4.017 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.439 -0.946 2.753 1.00 1.00 H new ATOM 109 N LYS A 9 -16.897 -3.268 5.142 1.00 1.00 N ATOM 110 CA LYS A 9 -17.969 -4.248 5.084 1.00 1.00 C ATOM 111 C LYS A 9 -18.983 -3.825 4.018 1.00 1.00 C ATOM 112 O LYS A 9 -19.761 -4.647 3.537 1.00 1.00 O ATOM 113 CB LYS A 9 -18.584 -4.453 6.470 1.00 1.00 C ATOM 114 CG LYS A 9 -17.567 -5.070 7.434 1.00 1.00 C ATOM 115 CD LYS A 9 -17.997 -6.476 7.857 1.00 1.00 C ATOM 116 CE LYS A 9 -17.692 -7.496 6.758 1.00 1.00 C ATOM 117 NZ LYS A 9 -16.967 -8.659 7.316 1.00 1.00 N ATOM 0 H LYS A 9 -16.963 -2.610 5.918 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.579 -5.222 4.787 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.930 -3.497 6.863 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.457 -5.101 6.393 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -16.588 -5.113 6.957 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.465 -4.436 8.315 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.479 -6.758 8.774 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.064 -6.483 8.078 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.621 -7.828 6.294 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.094 -7.028 5.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -16.768 -9.341 6.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -16.072 -8.340 7.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.551 -9.114 8.046 1.00 1.00 H new ATOM 130 N ASN A 10 -18.941 -2.545 3.682 1.00 1.00 N ATOM 131 CA ASN A 10 -19.846 -2.004 2.682 1.00 1.00 C ATOM 132 C ASN A 10 -19.035 -1.284 1.602 1.00 1.00 C ATOM 133 O ASN A 10 -19.104 -0.062 1.482 1.00 1.00 O ATOM 134 CB ASN A 10 -20.811 -0.991 3.303 1.00 1.00 C ATOM 135 CG ASN A 10 -21.477 -0.136 2.224 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.182 1.035 2.054 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.390 -0.785 1.506 1.00 1.00 N ATOM 0 H ASN A 10 -18.295 -1.866 4.084 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.415 -2.832 2.259 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.574 -1.516 3.879 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.271 -0.349 3.999 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.891 -0.301 0.761 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.589 -1.766 1.701 1.00 1.00 H new ATOM 143 N GLY A 11 -18.286 -2.072 0.845 1.00 1.00 N ATOM 144 CA GLY A 11 -17.464 -1.525 -0.220 1.00 1.00 C ATOM 145 C GLY A 11 -16.113 -1.049 0.320 1.00 1.00 C ATOM 146 O GLY A 11 -16.046 -0.448 1.391 1.00 1.00 O ATOM 0 H GLY A 11 -18.231 -3.085 0.948 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.306 -2.282 -0.988 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.984 -0.693 -0.695 1.00 1.00 H new ATOM 150 N ASP A 12 -15.071 -1.336 -0.447 1.00 1.00 N ATOM 151 CA ASP A 12 -13.727 -0.944 -0.059 1.00 1.00 C ATOM 152 C ASP A 12 -13.482 0.507 -0.477 1.00 1.00 C ATOM 153 O ASP A 12 -14.257 1.075 -1.246 1.00 1.00 O ATOM 154 CB ASP A 12 -12.678 -1.818 -0.751 1.00 1.00 C ATOM 155 CG ASP A 12 -12.304 -1.380 -2.168 1.00 1.00 C ATOM 156 OD1 ASP A 12 -11.347 -0.618 -2.369 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.051 -1.861 -3.103 1.00 1.00 O ATOM 0 H ASP A 12 -15.131 -1.835 -1.335 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.640 -1.061 1.021 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.775 -1.828 -0.140 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -13.049 -2.842 -0.789 1.00 1.00 H new ATOM 163 N VAL A 13 -12.403 1.066 0.048 1.00 1.00 N ATOM 164 CA VAL A 13 -12.047 2.441 -0.260 1.00 1.00 C ATOM 165 C VAL A 13 -10.630 2.479 -0.839 1.00 1.00 C ATOM 166 O VAL A 13 -9.709 1.895 -0.272 1.00 1.00 O ATOM 167 CB VAL A 13 -12.207 3.315 0.985 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.572 4.691 0.775 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.680 3.446 1.378 1.00 1.00 C ATOM 0 H VAL A 13 -11.763 0.592 0.685 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.719 2.849 -1.015 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.683 2.826 1.806 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.700 5.292 1.675 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.509 4.573 0.566 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.054 5.190 -0.066 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.765 4.072 2.266 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.236 3.901 0.558 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.089 2.458 1.590 1.00 1.00 H new ATOM 175 N LYS A 14 -10.504 3.172 -1.962 1.00 1.00 N ATOM 176 CA LYS A 14 -9.216 3.293 -2.624 1.00 1.00 C ATOM 177 C LYS A 14 -8.565 4.619 -2.225 1.00 1.00 C ATOM 178 O LYS A 14 -8.972 5.681 -2.696 1.00 1.00 O ATOM 179 CB LYS A 14 -9.372 3.114 -4.136 1.00 1.00 C ATOM 180 CG LYS A 14 -8.080 3.483 -4.867 1.00 1.00 C ATOM 181 CD LYS A 14 -6.998 2.426 -4.637 1.00 1.00 C ATOM 182 CE LYS A 14 -6.779 1.584 -5.896 1.00 1.00 C ATOM 183 NZ LYS A 14 -7.434 0.264 -5.757 1.00 1.00 N ATOM 0 H LYS A 14 -11.272 3.655 -2.429 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.545 2.498 -2.300 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.637 2.080 -4.358 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.190 3.738 -4.497 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.277 3.580 -5.935 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.725 4.453 -4.519 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.064 2.912 -4.353 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.286 1.779 -3.808 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -7.181 2.106 -6.764 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -5.711 1.450 -6.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -7.276 -0.295 -6.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -7.032 -0.239 -4.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -8.455 0.397 -5.613 1.00 1.00 H new ATOM 196 N PHE A 15 -7.566 4.516 -1.362 1.00 1.00 N ATOM 197 CA PHE A 15 -6.856 5.693 -0.895 1.00 1.00 C ATOM 198 C PHE A 15 -5.352 5.562 -1.145 1.00 1.00 C ATOM 199 O PHE A 15 -4.670 4.704 -0.589 1.00 1.00 O ATOM 200 CB PHE A 15 -7.103 5.796 0.612 1.00 1.00 C ATOM 201 CG PHE A 15 -6.768 7.167 1.205 1.00 1.00 C ATOM 202 CD1 PHE A 15 -7.083 8.299 0.522 1.00 1.00 C ATOM 203 CD2 PHE A 15 -6.154 7.251 2.416 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.773 9.571 1.072 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.842 8.523 2.967 1.00 1.00 C ATOM 206 CZ PHE A 15 -6.159 9.655 2.284 1.00 1.00 C ATOM 0 H PHE A 15 -7.231 3.634 -0.974 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.210 6.576 -1.427 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.150 5.570 0.815 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.509 5.037 1.120 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.569 8.231 -0.440 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.904 6.351 2.958 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -7.024 10.470 0.529 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -5.353 8.591 3.928 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.923 10.622 2.703 1.00 1.00 H new ATOM 216 N PRO A 16 -4.845 6.445 -2.008 1.00 1.00 N ATOM 217 CA PRO A 16 -3.449 6.504 -2.389 1.00 1.00 C ATOM 218 C PRO A 16 -2.680 7.348 -1.382 1.00 1.00 C ATOM 219 O PRO A 16 -2.788 8.571 -1.418 1.00 1.00 O ATOM 220 CB PRO A 16 -3.448 7.161 -3.768 1.00 1.00 C ATOM 221 CG PRO A 16 -4.647 8.109 -3.669 1.00 1.00 C ATOM 222 CD PRO A 16 -5.617 7.467 -2.679 1.00 1.00 C ATOM 0 HA PRO A 16 -2.973 5.524 -2.412 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.519 7.697 -3.964 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.570 6.431 -4.568 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.336 9.095 -3.325 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.118 8.245 -4.643 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.001 8.201 -1.970 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.478 7.038 -3.192 1.00 1.00 H new ATOM 230 N HIS A 17 -1.922 6.688 -0.506 1.00 1.00 N ATOM 231 CA HIS A 17 -1.130 7.358 0.519 1.00 1.00 C ATOM 232 C HIS A 17 -0.014 8.186 -0.146 1.00 1.00 C ATOM 233 O HIS A 17 0.083 9.390 0.083 1.00 1.00 O ATOM 234 CB HIS A 17 -0.628 6.312 1.524 1.00 1.00 C ATOM 235 CG HIS A 17 -0.010 6.836 2.800 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.305 7.026 2.937 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.577 7.206 3.997 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.549 7.495 4.171 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.421 7.625 4.867 1.00 1.00 N ATOM 0 H HIS A 17 -1.842 5.671 -0.489 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.730 8.070 1.085 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.466 5.668 1.792 1.00 1.00 H new ATOM 0 HB3 HIS A 17 0.109 5.685 1.022 1.00 1.00 H new ATOM 0 HD1 HIS A 17 2.009 6.844 2.221 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.632 7.176 4.225 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.531 7.735 4.550 1.00 1.00 H new ATOM 247 N LYS A 18 0.792 7.507 -0.950 1.00 1.00 N ATOM 248 CA LYS A 18 1.888 8.166 -1.641 1.00 1.00 C ATOM 249 C LYS A 18 1.378 9.460 -2.278 1.00 1.00 C ATOM 250 O LYS A 18 2.154 10.383 -2.523 1.00 1.00 O ATOM 251 CB LYS A 18 2.546 7.208 -2.637 1.00 1.00 C ATOM 252 CG LYS A 18 3.510 7.955 -3.560 1.00 1.00 C ATOM 253 CD LYS A 18 2.991 7.971 -4.999 1.00 1.00 C ATOM 254 CE LYS A 18 3.437 9.240 -5.729 1.00 1.00 C ATOM 255 NZ LYS A 18 2.652 9.427 -6.969 1.00 1.00 N ATOM 0 H LYS A 18 0.708 6.508 -1.138 1.00 1.00 H new ATOM 0 HA LYS A 18 2.671 8.444 -0.936 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.084 6.429 -2.097 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.779 6.712 -3.231 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.640 8.977 -3.205 1.00 1.00 H new ATOM 0 HG3 LYS A 18 4.491 7.480 -3.529 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.357 7.093 -5.531 1.00 1.00 H new ATOM 0 HD3 LYS A 18 1.903 7.912 -4.997 1.00 1.00 H new ATOM 0 HE2 LYS A 18 3.311 10.105 -5.078 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.498 9.174 -5.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.967 10.292 -7.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.793 8.609 -7.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 1.643 9.511 -6.732 1.00 1.00 H new ATOM 268 N ALA A 19 0.077 9.487 -2.527 1.00 1.00 N ATOM 269 CA ALA A 19 -0.546 10.653 -3.131 1.00 1.00 C ATOM 270 C ALA A 19 -0.811 11.702 -2.049 1.00 1.00 C ATOM 271 O ALA A 19 -0.506 12.880 -2.225 1.00 1.00 O ATOM 272 CB ALA A 19 -1.823 10.230 -3.859 1.00 1.00 C ATOM 0 H ALA A 19 -0.563 8.720 -2.321 1.00 1.00 H new ATOM 0 HA ALA A 19 0.117 11.103 -3.871 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.290 11.104 -4.312 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.576 9.507 -4.636 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.514 9.777 -3.148 1.00 1.00 H new ATOM 278 N HIS A 20 -1.382 11.234 -0.938 1.00 1.00 N ATOM 279 CA HIS A 20 -1.709 12.083 0.201 1.00 1.00 C ATOM 280 C HIS A 20 -0.465 12.266 1.090 1.00 1.00 C ATOM 281 O HIS A 20 -0.588 12.626 2.260 1.00 1.00 O ATOM 282 CB HIS A 20 -2.925 11.490 0.930 1.00 1.00 C ATOM 283 CG HIS A 20 -4.286 11.969 0.482 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.639 12.035 -0.806 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.374 12.407 1.200 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.897 12.494 -0.888 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.398 12.740 0.321 1.00 1.00 N ATOM 0 H HIS A 20 -1.630 10.253 -0.806 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.993 13.086 -0.118 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.893 10.406 0.819 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.822 11.705 1.994 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.048 11.778 -1.597 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.425 12.481 2.276 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.433 12.644 -1.813 1.00 1.00 H new ATOM 295 N GLN A 21 0.694 12.012 0.500 1.00 1.00 N ATOM 296 CA GLN A 21 1.946 12.146 1.225 1.00 1.00 C ATOM 297 C GLN A 21 2.757 13.320 0.670 1.00 1.00 C ATOM 298 O GLN A 21 3.814 13.654 1.203 1.00 1.00 O ATOM 299 CB GLN A 21 2.753 10.848 1.170 1.00 1.00 C ATOM 300 CG GLN A 21 4.091 11.063 0.459 1.00 1.00 C ATOM 301 CD GLN A 21 4.775 9.727 0.161 1.00 1.00 C ATOM 302 OE1 GLN A 21 4.278 8.660 0.483 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.939 9.844 -0.471 1.00 1.00 N ATOM 0 H GLN A 21 0.792 11.714 -0.471 1.00 1.00 H new ATOM 0 HA GLN A 21 1.718 12.349 2.271 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.929 10.482 2.182 1.00 1.00 H new ATOM 0 HB3 GLN A 21 2.180 10.081 0.649 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.929 11.608 -0.471 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.742 11.678 1.080 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.298 10.768 -0.712 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.473 9.010 -0.715 1.00 1.00 H new ATOM 311 N LYS A 22 2.231 13.911 -0.392 1.00 1.00 N ATOM 312 CA LYS A 22 2.893 15.040 -1.024 1.00 1.00 C ATOM 313 C LYS A 22 1.960 16.252 -1.000 1.00 1.00 C ATOM 314 O LYS A 22 2.416 17.393 -1.061 1.00 1.00 O ATOM 315 CB LYS A 22 3.374 14.662 -2.427 1.00 1.00 C ATOM 316 CG LYS A 22 4.677 15.385 -2.774 1.00 1.00 C ATOM 317 CD LYS A 22 4.879 15.454 -4.288 1.00 1.00 C ATOM 318 CE LYS A 22 6.320 15.106 -4.665 1.00 1.00 C ATOM 319 NZ LYS A 22 6.501 13.638 -4.722 1.00 1.00 N ATOM 0 H LYS A 22 1.354 13.630 -0.831 1.00 1.00 H new ATOM 0 HA LYS A 22 3.789 15.316 -0.468 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.526 13.584 -2.485 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.607 14.916 -3.159 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.659 16.393 -2.360 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.518 14.866 -2.315 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.194 14.765 -4.782 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.637 16.455 -4.646 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.566 15.546 -5.631 1.00 1.00 H new ATOM 0 HE3 LYS A 22 7.007 15.535 -3.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 7.485 13.419 -4.979 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 6.286 13.225 -3.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 5.859 13.237 -5.435 1.00 1.00 H new ATOM 332 N ALA A 23 0.670 15.963 -0.910 1.00 1.00 N ATOM 333 CA ALA A 23 -0.332 17.016 -0.876 1.00 1.00 C ATOM 334 C ALA A 23 -0.289 17.712 0.486 1.00 1.00 C ATOM 335 O ALA A 23 -0.989 18.699 0.705 1.00 1.00 O ATOM 336 CB ALA A 23 -1.708 16.421 -1.184 1.00 1.00 C ATOM 0 H ALA A 23 0.295 15.016 -0.860 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.124 17.768 -1.637 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.460 17.210 -1.159 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.694 15.965 -2.174 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.952 15.664 -0.439 1.00 1.00 H new ATOM 342 N VAL A 24 0.541 17.171 1.365 1.00 1.00 N ATOM 343 CA VAL A 24 0.685 17.728 2.699 1.00 1.00 C ATOM 344 C VAL A 24 2.154 18.078 2.946 1.00 1.00 C ATOM 345 O VAL A 24 3.031 17.218 2.995 1.00 1.00 O ATOM 346 CB VAL A 24 0.121 16.754 3.737 1.00 1.00 C ATOM 347 CG1 VAL A 24 -0.355 17.498 4.986 1.00 1.00 C ATOM 348 CG2 VAL A 24 -1.005 15.909 3.139 1.00 1.00 C ATOM 0 H VAL A 24 1.121 16.353 1.180 1.00 1.00 H new ATOM 0 HA VAL A 24 0.111 18.650 2.791 1.00 1.00 H new ATOM 0 HB VAL A 24 0.924 16.080 4.036 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -0.751 16.783 5.707 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.483 18.036 5.431 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -1.136 18.207 4.712 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.389 15.225 3.896 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.809 16.562 2.799 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.621 15.337 2.295 1.00 1.00 H new ATOM 354 N PRO A 25 2.406 19.380 3.101 1.00 1.00 N ATOM 355 CA PRO A 25 3.719 19.934 3.345 1.00 1.00 C ATOM 356 C PRO A 25 4.550 18.943 4.148 1.00 1.00 C ATOM 357 O PRO A 25 5.498 18.380 3.600 1.00 1.00 O ATOM 358 CB PRO A 25 3.465 21.209 4.145 1.00 1.00 C ATOM 359 CG PRO A 25 2.135 21.701 3.427 1.00 1.00 C ATOM 360 CD PRO A 25 1.399 20.417 3.048 1.00 1.00 C ATOM 0 HA PRO A 25 4.269 20.141 2.427 1.00 1.00 H new ATOM 0 HB2 PRO A 25 3.321 21.016 5.208 1.00 1.00 H new ATOM 0 HB3 PRO A 25 4.280 21.928 4.059 1.00 1.00 H new ATOM 0 HG2 PRO A 25 1.533 22.321 4.091 1.00 1.00 H new ATOM 0 HG3 PRO A 25 2.360 22.303 2.546 1.00 1.00 H new ATOM 0 HD2 PRO A 25 0.583 20.211 3.740 1.00 1.00 H new ATOM 0 HD3 PRO A 25 0.961 20.492 2.053 1.00 1.00 H new ATOM 368 N ASP A 26 4.191 18.751 5.408 1.00 1.00 N ATOM 369 CA ASP A 26 4.918 17.827 6.262 1.00 1.00 C ATOM 370 C ASP A 26 3.922 16.955 7.028 1.00 1.00 C ATOM 371 O ASP A 26 4.162 16.598 8.181 1.00 1.00 O ATOM 372 CB ASP A 26 5.773 18.578 7.284 1.00 1.00 C ATOM 373 CG ASP A 26 7.088 17.891 7.658 1.00 1.00 C ATOM 374 OD1 ASP A 26 7.316 17.542 8.826 1.00 1.00 O ATOM 375 OD2 ASP A 26 7.909 17.716 6.679 1.00 1.00 O ATOM 0 H ASP A 26 3.405 19.220 5.859 1.00 1.00 H new ATOM 0 HA ASP A 26 5.564 17.220 5.628 1.00 1.00 H new ATOM 0 HB2 ASP A 26 5.998 19.569 6.889 1.00 1.00 H new ATOM 0 HB3 ASP A 26 5.185 18.722 8.191 1.00 1.00 H new ATOM 381 N CYS A 27 2.825 16.637 6.357 1.00 1.00 N ATOM 382 CA CYS A 27 1.791 15.813 6.961 1.00 1.00 C ATOM 383 C CYS A 27 1.720 16.147 8.452 1.00 1.00 C ATOM 384 O CYS A 27 1.822 17.311 8.837 1.00 1.00 O ATOM 385 CB CYS A 27 2.043 14.323 6.721 1.00 1.00 C ATOM 386 SG CYS A 27 3.536 13.655 7.541 1.00 1.00 S ATOM 0 H CYS A 27 2.629 16.935 5.401 1.00 1.00 H new ATOM 0 HA CYS A 27 0.830 16.031 6.495 1.00 1.00 H new ATOM 0 HB2 CYS A 27 1.175 13.762 7.066 1.00 1.00 H new ATOM 0 HB3 CYS A 27 2.128 14.151 5.648 1.00 1.00 H new ATOM 391 N LYS A 28 1.546 15.105 9.251 1.00 1.00 N ATOM 392 CA LYS A 28 1.460 15.273 10.692 1.00 1.00 C ATOM 393 C LYS A 28 0.079 15.825 11.056 1.00 1.00 C ATOM 394 O LYS A 28 -0.251 15.954 12.234 1.00 1.00 O ATOM 395 CB LYS A 28 2.619 16.132 11.201 1.00 1.00 C ATOM 396 CG LYS A 28 3.966 15.512 10.827 1.00 1.00 C ATOM 397 CD LYS A 28 5.028 16.593 10.613 1.00 1.00 C ATOM 398 CE LYS A 28 5.856 16.806 11.882 1.00 1.00 C ATOM 399 NZ LYS A 28 7.123 17.502 11.562 1.00 1.00 N ATOM 0 H LYS A 28 1.462 14.141 8.928 1.00 1.00 H new ATOM 0 HA LYS A 28 1.562 14.311 11.194 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.546 17.134 10.779 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.551 16.236 12.284 1.00 1.00 H new ATOM 0 HG2 LYS A 28 4.288 14.832 11.615 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.858 14.919 9.919 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.683 16.306 9.791 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.547 17.528 10.327 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.285 17.391 12.603 1.00 1.00 H new ATOM 0 HE3 LYS A 28 6.070 15.845 12.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.887 17.124 12.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 7.358 17.351 10.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 7.015 18.520 11.743 1.00 1.00 H new ATOM 412 N LYS A 29 -0.689 16.136 10.023 1.00 1.00 N ATOM 413 CA LYS A 29 -2.026 16.671 10.218 1.00 1.00 C ATOM 414 C LYS A 29 -2.970 15.537 10.624 1.00 1.00 C ATOM 415 O LYS A 29 -3.986 15.775 11.275 1.00 1.00 O ATOM 416 CB LYS A 29 -2.483 17.436 8.976 1.00 1.00 C ATOM 417 CG LYS A 29 -3.635 18.387 9.310 1.00 1.00 C ATOM 418 CD LYS A 29 -3.227 19.844 9.087 1.00 1.00 C ATOM 419 CE LYS A 29 -3.055 20.144 7.597 1.00 1.00 C ATOM 420 NZ LYS A 29 -2.425 21.469 7.404 1.00 1.00 N ATOM 0 H LYS A 29 -0.411 16.028 9.048 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.031 17.397 11.031 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.647 18.002 8.565 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.800 16.732 8.207 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.499 18.149 8.690 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.939 18.246 10.347 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.983 20.506 9.510 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -2.294 20.049 9.613 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.441 19.372 7.133 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.025 20.120 7.101 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.316 21.657 6.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -3.025 22.204 7.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -1.490 21.479 7.860 1.00 1.00 H new ATOM 433 N CYS A 30 -2.599 14.330 10.223 1.00 1.00 N ATOM 434 CA CYS A 30 -3.400 13.159 10.538 1.00 1.00 C ATOM 435 C CYS A 30 -2.664 12.344 11.603 1.00 1.00 C ATOM 436 O CYS A 30 -3.279 11.800 12.518 1.00 1.00 O ATOM 437 CB CYS A 30 -3.699 12.327 9.289 1.00 1.00 C ATOM 438 SG CYS A 30 -3.776 13.412 7.818 1.00 1.00 S ATOM 0 H CYS A 30 -1.755 14.138 9.683 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.369 13.472 10.928 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.927 11.570 9.153 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.645 11.799 9.412 1.00 1.00 H new ATOM 443 N HIS A 31 -1.340 12.284 11.451 1.00 1.00 N ATOM 444 CA HIS A 31 -0.470 11.555 12.367 1.00 1.00 C ATOM 445 C HIS A 31 -0.013 12.487 13.504 1.00 1.00 C ATOM 446 O HIS A 31 1.169 12.517 13.842 1.00 1.00 O ATOM 447 CB HIS A 31 0.679 10.925 11.566 1.00 1.00 C ATOM 448 CG HIS A 31 0.294 9.959 10.469 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.561 8.950 10.666 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.677 9.883 9.152 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.704 8.272 9.517 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.039 8.806 8.549 1.00 1.00 N ATOM 0 H HIS A 31 -0.843 12.741 10.687 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.999 10.735 12.852 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.264 11.730 11.121 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.334 10.403 12.264 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -1.028 8.731 11.546 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.366 10.555 8.662 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.338 7.407 9.393 1.00 1.00 H new ATOM 460 N GLU A 32 -0.970 13.217 14.058 1.00 1.00 N ATOM 461 CA GLU A 32 -0.676 14.138 15.143 1.00 1.00 C ATOM 462 C GLU A 32 0.500 13.621 15.973 1.00 1.00 C ATOM 463 O GLU A 32 1.590 14.189 15.933 1.00 1.00 O ATOM 464 CB GLU A 32 -1.909 14.364 16.020 1.00 1.00 C ATOM 465 CG GLU A 32 -1.785 15.663 16.817 1.00 1.00 C ATOM 466 CD GLU A 32 -2.858 15.745 17.904 1.00 1.00 C ATOM 467 OE1 GLU A 32 -4.044 15.514 17.624 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.424 16.060 19.077 1.00 1.00 O ATOM 0 H GLU A 32 -1.950 13.189 13.776 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.397 15.099 14.712 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.802 14.400 15.396 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -2.032 13.524 16.704 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.796 15.721 17.272 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.877 16.516 16.145 1.00 1.00 H new ATOM 476 N LYS A 33 0.239 12.549 16.707 1.00 1.00 N ATOM 477 CA LYS A 33 1.262 11.950 17.547 1.00 1.00 C ATOM 478 C LYS A 33 2.443 11.519 16.674 1.00 1.00 C ATOM 479 O LYS A 33 3.536 12.074 16.783 1.00 1.00 O ATOM 480 CB LYS A 33 0.671 10.814 18.385 1.00 1.00 C ATOM 481 CG LYS A 33 1.771 9.892 18.913 1.00 1.00 C ATOM 482 CD LYS A 33 1.592 9.623 20.408 1.00 1.00 C ATOM 483 CE LYS A 33 2.930 9.707 21.145 1.00 1.00 C ATOM 484 NZ LYS A 33 2.789 10.498 22.388 1.00 1.00 N ATOM 0 H LYS A 33 -0.666 12.080 16.737 1.00 1.00 H new ATOM 0 HA LYS A 33 1.642 12.679 18.263 1.00 1.00 H new ATOM 0 HB2 LYS A 33 0.107 11.229 19.221 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -0.031 10.239 17.781 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.754 8.949 18.366 1.00 1.00 H new ATOM 0 HG3 LYS A 33 2.746 10.345 18.736 1.00 1.00 H new ATOM 0 HD2 LYS A 33 0.894 10.346 20.830 1.00 1.00 H new ATOM 0 HD3 LYS A 33 1.154 8.635 20.553 1.00 1.00 H new ATOM 0 HE2 LYS A 33 3.284 8.704 21.384 1.00 1.00 H new ATOM 0 HE3 LYS A 33 3.679 10.164 20.499 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 3.706 10.545 22.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 2.472 11.460 22.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 2.089 10.045 23.010 1.00 1.00 H new ATOM 497 N GLY A 34 2.184 10.533 15.828 1.00 1.00 N ATOM 498 CA GLY A 34 3.211 10.020 14.938 1.00 1.00 C ATOM 499 C GLY A 34 2.637 8.971 13.983 1.00 1.00 C ATOM 500 O GLY A 34 1.445 8.675 13.981 1.00 1.00 O ATOM 0 H GLY A 34 1.277 10.075 15.740 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.643 10.840 14.365 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.018 9.580 15.524 1.00 1.00 H new ATOM 504 N PRO A 35 3.527 8.408 13.161 1.00 1.00 N ATOM 505 CA PRO A 35 3.204 7.394 12.182 1.00 1.00 C ATOM 506 C PRO A 35 2.620 6.175 12.882 1.00 1.00 C ATOM 507 O PRO A 35 2.131 6.312 14.002 1.00 1.00 O ATOM 508 CB PRO A 35 4.536 7.057 11.515 1.00 1.00 C ATOM 509 CG PRO A 35 5.623 7.473 12.620 1.00 1.00 C ATOM 510 CD PRO A 35 4.936 8.735 13.138 1.00 1.00 C ATOM 0 HA PRO A 35 2.464 7.727 11.454 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.603 5.998 11.264 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.673 7.613 10.588 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.755 6.715 13.392 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.607 7.670 12.194 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.296 9.002 14.132 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.133 9.588 12.488 1.00 1.00 H new ATOM 518 N GLY A 36 2.677 5.027 12.223 1.00 1.00 N ATOM 519 CA GLY A 36 2.147 3.805 12.802 1.00 1.00 C ATOM 520 C GLY A 36 0.619 3.779 12.721 1.00 1.00 C ATOM 521 O GLY A 36 -0.012 4.810 12.493 1.00 1.00 O ATOM 0 H GLY A 36 3.082 4.918 11.293 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.557 2.942 12.278 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.461 3.725 13.843 1.00 1.00 H new ATOM 525 N LYS A 37 0.069 2.589 12.913 1.00 1.00 N ATOM 526 CA LYS A 37 -1.373 2.414 12.864 1.00 1.00 C ATOM 527 C LYS A 37 -2.040 3.478 13.739 1.00 1.00 C ATOM 528 O LYS A 37 -1.675 3.651 14.901 1.00 1.00 O ATOM 529 CB LYS A 37 -1.752 0.981 13.243 1.00 1.00 C ATOM 530 CG LYS A 37 -1.413 0.692 14.707 1.00 1.00 C ATOM 531 CD LYS A 37 -2.624 0.126 15.449 1.00 1.00 C ATOM 532 CE LYS A 37 -2.237 -0.345 16.853 1.00 1.00 C ATOM 533 NZ LYS A 37 -3.110 -1.460 17.285 1.00 1.00 N ATOM 0 H LYS A 37 0.596 1.736 13.103 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.741 2.558 11.848 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.818 0.827 13.076 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.223 0.279 12.598 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.586 -0.016 14.759 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.079 1.608 15.194 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.401 0.887 15.518 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -3.044 -0.707 14.885 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -1.196 -0.667 16.861 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -2.320 0.483 17.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -2.834 -1.767 18.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -4.100 -1.141 17.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -3.010 -2.256 16.623 1.00 1.00 H new ATOM 546 N ILE A 38 -3.007 4.165 13.147 1.00 1.00 N ATOM 547 CA ILE A 38 -3.728 5.207 13.857 1.00 1.00 C ATOM 548 C ILE A 38 -4.530 4.578 14.998 1.00 1.00 C ATOM 549 O ILE A 38 -5.147 3.528 14.824 1.00 1.00 O ATOM 550 CB ILE A 38 -4.579 6.027 12.885 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.741 7.106 12.198 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.804 6.614 13.590 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.635 8.185 11.582 1.00 1.00 C ATOM 0 H ILE A 38 -3.307 4.020 12.183 1.00 1.00 H new ATOM 0 HA ILE A 38 -3.032 5.914 14.308 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.945 5.360 12.105 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -3.063 7.560 12.921 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -3.124 6.653 11.422 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.392 7.192 12.877 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.414 5.806 13.992 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.479 7.263 14.403 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -4.014 8.940 11.100 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.295 7.732 10.843 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -5.233 8.652 12.364 1.00 1.00 H new ATOM 560 N GLU A 39 -4.498 5.249 16.141 1.00 1.00 N ATOM 561 CA GLU A 39 -5.214 4.770 17.310 1.00 1.00 C ATOM 562 C GLU A 39 -6.554 4.156 16.898 1.00 1.00 C ATOM 563 O GLU A 39 -7.550 4.865 16.765 1.00 1.00 O ATOM 564 CB GLU A 39 -5.416 5.893 18.329 1.00 1.00 C ATOM 565 CG GLU A 39 -6.058 5.362 19.612 1.00 1.00 C ATOM 566 CD GLU A 39 -5.235 5.757 20.840 1.00 1.00 C ATOM 567 OE1 GLU A 39 -3.996 5.739 20.788 1.00 1.00 O ATOM 568 OE2 GLU A 39 -5.928 6.090 21.876 1.00 1.00 O ATOM 0 H GLU A 39 -3.987 6.121 16.281 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.613 3.996 17.787 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.456 6.354 18.562 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.046 6.671 17.898 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -7.070 5.755 19.706 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -6.141 4.276 19.559 1.00 1.00 H new ATOM 576 N GLY A 40 -6.535 2.845 16.706 1.00 1.00 N ATOM 577 CA GLY A 40 -7.735 2.128 16.311 1.00 1.00 C ATOM 578 C GLY A 40 -8.639 3.009 15.446 1.00 1.00 C ATOM 579 O GLY A 40 -9.503 3.716 15.963 1.00 1.00 O ATOM 0 H GLY A 40 -5.706 2.260 16.817 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.461 1.229 15.759 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.278 1.804 17.199 1.00 1.00 H new ATOM 583 N PHE A 41 -8.410 2.936 14.143 1.00 1.00 N ATOM 584 CA PHE A 41 -9.193 3.717 13.201 1.00 1.00 C ATOM 585 C PHE A 41 -10.684 3.399 13.329 1.00 1.00 C ATOM 586 O PHE A 41 -11.054 2.280 13.683 1.00 1.00 O ATOM 587 CB PHE A 41 -8.720 3.330 11.797 1.00 1.00 C ATOM 588 CG PHE A 41 -9.422 4.093 10.672 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.748 3.896 10.442 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.721 4.967 9.902 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.401 4.603 9.398 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.373 5.674 8.857 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.699 5.477 8.627 1.00 1.00 C ATOM 0 H PHE A 41 -7.693 2.348 13.718 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.058 4.781 13.398 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.646 3.504 11.725 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.880 2.262 11.652 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.305 3.201 11.054 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.668 5.124 10.085 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.454 4.447 9.216 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.816 6.368 8.245 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.195 6.014 7.832 1.00 1.00 H new ATOM 603 N GLY A 42 -11.499 4.402 13.035 1.00 1.00 N ATOM 604 CA GLY A 42 -12.940 4.242 13.113 1.00 1.00 C ATOM 605 C GLY A 42 -13.635 4.960 11.955 1.00 1.00 C ATOM 606 O GLY A 42 -13.051 5.841 11.326 1.00 1.00 O ATOM 0 H GLY A 42 -11.188 5.328 12.742 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.193 3.182 13.093 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.303 4.638 14.061 1.00 1.00 H new ATOM 610 N LYS A 43 -14.872 4.555 11.707 1.00 1.00 N ATOM 611 CA LYS A 43 -15.653 5.149 10.635 1.00 1.00 C ATOM 612 C LYS A 43 -16.003 6.591 11.003 1.00 1.00 C ATOM 613 O LYS A 43 -15.668 7.522 10.271 1.00 1.00 O ATOM 614 CB LYS A 43 -16.873 4.281 10.317 1.00 1.00 C ATOM 615 CG LYS A 43 -16.477 3.065 9.479 1.00 1.00 C ATOM 616 CD LYS A 43 -16.033 1.904 10.372 1.00 1.00 C ATOM 617 CE LYS A 43 -14.511 1.762 10.369 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.107 0.502 11.032 1.00 1.00 N ATOM 0 H LYS A 43 -15.353 3.823 12.230 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.070 5.188 9.715 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.341 3.951 11.245 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.614 4.872 9.779 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.321 2.753 8.863 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.669 3.335 8.799 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -16.384 2.069 11.391 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -16.489 0.977 10.023 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -14.141 1.776 9.344 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -14.060 2.611 10.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.070 0.421 11.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.444 0.504 12.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.522 -0.306 10.525 1.00 1.00 H new ATOM 631 N GLU A 44 -16.672 6.733 12.138 1.00 1.00 N ATOM 632 CA GLU A 44 -17.072 8.047 12.612 1.00 1.00 C ATOM 633 C GLU A 44 -15.963 9.068 12.347 1.00 1.00 C ATOM 634 O GLU A 44 -16.240 10.229 12.053 1.00 1.00 O ATOM 635 CB GLU A 44 -17.435 8.008 14.097 1.00 1.00 C ATOM 636 CG GLU A 44 -18.049 9.334 14.548 1.00 1.00 C ATOM 637 CD GLU A 44 -18.988 9.896 13.478 1.00 1.00 C ATOM 638 OE1 GLU A 44 -20.044 9.304 13.208 1.00 1.00 O ATOM 639 OE2 GLU A 44 -18.588 10.986 12.919 1.00 1.00 O ATOM 0 H GLU A 44 -16.947 5.959 12.743 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.962 8.354 12.062 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.139 7.196 14.281 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.543 7.797 14.687 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.598 9.187 15.478 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.257 10.053 14.756 1.00 1.00 H new ATOM 647 N MET A 45 -14.730 8.595 12.457 1.00 1.00 N ATOM 648 CA MET A 45 -13.578 9.451 12.232 1.00 1.00 C ATOM 649 C MET A 45 -13.402 9.756 10.743 1.00 1.00 C ATOM 650 O MET A 45 -13.188 10.906 10.362 1.00 1.00 O ATOM 651 CB MET A 45 -12.318 8.764 12.765 1.00 1.00 C ATOM 652 CG MET A 45 -11.581 9.664 13.759 1.00 1.00 C ATOM 653 SD MET A 45 -12.015 9.211 15.430 1.00 1.00 S ATOM 654 CE MET A 45 -13.632 9.958 15.543 1.00 1.00 C ATOM 0 H MET A 45 -14.504 7.630 12.699 1.00 1.00 H new ATOM 0 HA MET A 45 -13.741 10.391 12.759 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.588 7.826 13.250 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.657 8.515 11.935 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.504 9.572 13.616 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.839 10.707 13.578 1.00 1.00 H new ATOM 0 HE1 MET A 45 -13.908 10.071 16.591 1.00 1.00 H new ATOM 0 HE2 MET A 45 -13.615 10.937 15.064 1.00 1.00 H new ATOM 0 HE3 MET A 45 -14.362 9.322 15.042 1.00 1.00 H new ATOM 664 N ALA A 46 -13.501 8.706 9.942 1.00 1.00 N ATOM 665 CA ALA A 46 -13.356 8.846 8.503 1.00 1.00 C ATOM 666 C ALA A 46 -14.266 9.973 8.011 1.00 1.00 C ATOM 667 O ALA A 46 -13.793 10.995 7.518 1.00 1.00 O ATOM 668 CB ALA A 46 -13.666 7.508 7.826 1.00 1.00 C ATOM 0 H ALA A 46 -13.680 7.754 10.262 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.331 9.113 8.244 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.557 7.613 6.746 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -12.974 6.748 8.188 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.688 7.210 8.061 1.00 1.00 H new ATOM 674 N HIS A 47 -15.572 9.750 8.163 1.00 1.00 N ATOM 675 CA HIS A 47 -16.592 10.709 7.753 1.00 1.00 C ATOM 676 C HIS A 47 -16.417 12.022 8.538 1.00 1.00 C ATOM 677 O HIS A 47 -17.028 13.033 8.196 1.00 1.00 O ATOM 678 CB HIS A 47 -17.974 10.060 7.907 1.00 1.00 C ATOM 679 CG HIS A 47 -18.155 8.691 7.296 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.695 7.668 7.967 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.846 8.207 6.046 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.722 6.590 7.166 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.209 6.868 5.970 1.00 1.00 N ATOM 0 H HIS A 47 -15.950 8.897 8.575 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.488 10.977 6.702 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.200 9.990 8.971 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.714 10.729 7.468 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -19.031 7.701 8.929 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.393 8.778 5.249 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.109 5.624 7.455 1.00 1.00 H new ATOM 691 N GLY A 48 -15.583 11.961 9.565 1.00 1.00 N ATOM 692 CA GLY A 48 -15.325 13.129 10.390 1.00 1.00 C ATOM 693 C GLY A 48 -14.216 13.993 9.787 1.00 1.00 C ATOM 694 O GLY A 48 -14.178 14.203 8.576 1.00 1.00 O ATOM 0 H GLY A 48 -15.077 11.121 9.845 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.237 13.718 10.488 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -15.040 12.814 11.394 1.00 1.00 H new ATOM 698 N LYS A 49 -13.341 14.471 10.660 1.00 1.00 N ATOM 699 CA LYS A 49 -12.235 15.308 10.229 1.00 1.00 C ATOM 700 C LYS A 49 -10.975 14.450 10.093 1.00 1.00 C ATOM 701 O LYS A 49 -9.925 14.793 10.633 1.00 1.00 O ATOM 702 CB LYS A 49 -12.067 16.502 11.170 1.00 1.00 C ATOM 703 CG LYS A 49 -12.494 17.803 10.487 1.00 1.00 C ATOM 704 CD LYS A 49 -12.124 19.018 11.339 1.00 1.00 C ATOM 705 CE LYS A 49 -13.376 19.716 11.873 1.00 1.00 C ATOM 706 NZ LYS A 49 -13.949 20.611 10.843 1.00 1.00 N ATOM 0 H LYS A 49 -13.376 14.294 11.664 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.440 15.733 9.247 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.662 16.347 12.070 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.026 16.577 11.486 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.015 17.880 9.511 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.570 17.790 10.314 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.495 18.704 12.172 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -11.539 19.719 10.744 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -14.116 18.972 12.169 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -13.127 20.291 12.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -14.835 21.025 11.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -13.273 21.372 10.629 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.142 20.066 9.978 1.00 1.00 H new ATOM 719 N GLY A 50 -11.122 13.350 9.370 1.00 1.00 N ATOM 720 CA GLY A 50 -10.008 12.440 9.157 1.00 1.00 C ATOM 721 C GLY A 50 -10.176 11.666 7.848 1.00 1.00 C ATOM 722 O GLY A 50 -9.689 10.542 7.720 1.00 1.00 O ATOM 0 H GLY A 50 -11.995 13.068 8.924 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -9.074 13.002 9.134 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.940 11.741 9.991 1.00 1.00 H new ATOM 726 N CYS A 51 -10.866 12.295 6.909 1.00 1.00 N ATOM 727 CA CYS A 51 -11.103 11.680 5.615 1.00 1.00 C ATOM 728 C CYS A 51 -11.942 12.642 4.771 1.00 1.00 C ATOM 729 O CYS A 51 -11.438 13.244 3.823 1.00 1.00 O ATOM 730 CB CYS A 51 -11.773 10.311 5.753 1.00 1.00 C ATOM 731 SG CYS A 51 -11.260 9.075 4.505 1.00 1.00 S ATOM 0 H CYS A 51 -11.269 13.226 7.019 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.150 11.498 5.118 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.557 9.915 6.745 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.853 10.443 5.690 1.00 1.00 H new ATOM 736 N LYS A 52 -13.207 12.759 5.146 1.00 1.00 N ATOM 737 CA LYS A 52 -14.121 13.638 4.437 1.00 1.00 C ATOM 738 C LYS A 52 -14.003 15.054 5.004 1.00 1.00 C ATOM 739 O LYS A 52 -13.722 16.000 4.270 1.00 1.00 O ATOM 740 CB LYS A 52 -15.544 13.077 4.474 1.00 1.00 C ATOM 741 CG LYS A 52 -16.495 13.936 3.639 1.00 1.00 C ATOM 742 CD LYS A 52 -17.928 13.835 4.163 1.00 1.00 C ATOM 743 CE LYS A 52 -18.538 12.472 3.833 1.00 1.00 C ATOM 744 NZ LYS A 52 -20.013 12.524 3.945 1.00 1.00 N ATOM 0 H LYS A 52 -13.621 12.259 5.933 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.854 13.693 3.382 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.545 12.055 4.096 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.896 13.036 5.505 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -16.168 14.975 3.663 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.461 13.615 2.598 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.936 13.989 5.242 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -18.536 14.626 3.723 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.254 12.175 2.823 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.142 11.716 4.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.412 11.591 3.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -20.278 12.787 4.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -20.387 13.231 3.280 1.00 1.00 H new ATOM 757 N GLY A 53 -14.225 15.156 6.307 1.00 1.00 N ATOM 758 CA GLY A 53 -14.147 16.440 6.981 1.00 1.00 C ATOM 759 C GLY A 53 -13.079 17.331 6.344 1.00 1.00 C ATOM 760 O GLY A 53 -13.373 18.439 5.900 1.00 1.00 O ATOM 0 H GLY A 53 -14.459 14.370 6.913 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.115 16.938 6.935 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.917 16.288 8.035 1.00 1.00 H new ATOM 764 N CYS A 54 -11.859 16.811 6.318 1.00 1.00 N ATOM 765 CA CYS A 54 -10.746 17.545 5.743 1.00 1.00 C ATOM 766 C CYS A 54 -11.233 18.236 4.468 1.00 1.00 C ATOM 767 O CYS A 54 -11.211 19.461 4.367 1.00 1.00 O ATOM 768 CB CYS A 54 -9.546 16.634 5.475 1.00 1.00 C ATOM 769 SG CYS A 54 -8.040 17.343 6.236 1.00 1.00 S ATOM 0 H CYS A 54 -11.619 15.891 6.686 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.398 18.296 6.452 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.735 15.640 5.881 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.400 16.517 4.401 1.00 1.00 H new ATOM 774 N HIS A 55 -11.666 17.413 3.512 1.00 1.00 N ATOM 775 CA HIS A 55 -12.168 17.888 2.227 1.00 1.00 C ATOM 776 C HIS A 55 -13.229 18.979 2.454 1.00 1.00 C ATOM 777 O HIS A 55 -13.211 20.010 1.782 1.00 1.00 O ATOM 778 CB HIS A 55 -12.664 16.684 1.412 1.00 1.00 C ATOM 779 CG HIS A 55 -11.725 15.505 1.304 1.00 1.00 C ATOM 780 ND1 HIS A 55 -12.132 14.243 1.482 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.381 15.437 1.029 1.00 1.00 C ATOM 782 CE1 HIS A 55 -11.082 13.423 1.325 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.974 14.108 1.043 1.00 1.00 N ATOM 0 H HIS A 55 -11.678 16.398 3.609 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.380 18.360 1.640 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.598 16.336 1.853 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.896 17.028 0.404 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -13.085 13.952 1.701 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.740 16.284 0.833 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -11.128 12.348 1.415 1.00 1.00 H new ATOM 791 N GLU A 56 -14.122 18.715 3.397 1.00 1.00 N ATOM 792 CA GLU A 56 -15.179 19.660 3.714 1.00 1.00 C ATOM 793 C GLU A 56 -14.582 20.965 4.247 1.00 1.00 C ATOM 794 O GLU A 56 -15.213 22.017 4.168 1.00 1.00 O ATOM 795 CB GLU A 56 -16.168 19.061 4.716 1.00 1.00 C ATOM 796 CG GLU A 56 -17.200 20.101 5.155 1.00 1.00 C ATOM 797 CD GLU A 56 -16.940 20.558 6.593 1.00 1.00 C ATOM 798 OE1 GLU A 56 -15.854 20.304 7.136 1.00 1.00 O ATOM 799 OE2 GLU A 56 -17.914 21.198 7.147 1.00 1.00 O ATOM 0 H GLU A 56 -14.135 17.859 3.952 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.728 19.881 2.799 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.675 18.207 4.266 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.628 18.689 5.587 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -17.164 20.960 4.485 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -18.202 19.679 5.079 1.00 1.00 H new ATOM 807 N GLU A 57 -13.372 20.851 4.775 1.00 1.00 N ATOM 808 CA GLU A 57 -12.683 22.009 5.320 1.00 1.00 C ATOM 809 C GLU A 57 -11.768 22.629 4.263 1.00 1.00 C ATOM 810 O GLU A 57 -11.892 23.810 3.944 1.00 1.00 O ATOM 811 CB GLU A 57 -11.895 21.636 6.578 1.00 1.00 C ATOM 812 CG GLU A 57 -12.653 22.045 7.842 1.00 1.00 C ATOM 813 CD GLU A 57 -12.504 23.545 8.109 1.00 1.00 C ATOM 814 OE1 GLU A 57 -13.014 24.367 7.333 1.00 1.00 O ATOM 815 OE2 GLU A 57 -11.831 23.845 9.167 1.00 1.00 O ATOM 0 H GLU A 57 -12.852 19.976 4.837 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.429 22.750 5.605 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -11.712 20.562 6.591 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.921 22.125 6.560 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.708 21.794 7.735 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.276 21.481 8.695 1.00 1.00 H new ATOM 823 N MET A 58 -10.868 21.803 3.748 1.00 1.00 N ATOM 824 CA MET A 58 -9.932 22.255 2.733 1.00 1.00 C ATOM 825 C MET A 58 -10.665 22.667 1.455 1.00 1.00 C ATOM 826 O MET A 58 -10.105 23.367 0.613 1.00 1.00 O ATOM 827 CB MET A 58 -8.943 21.131 2.415 1.00 1.00 C ATOM 828 CG MET A 58 -7.525 21.682 2.247 1.00 1.00 C ATOM 829 SD MET A 58 -6.774 21.933 3.845 1.00 1.00 S ATOM 830 CE MET A 58 -5.397 22.969 3.382 1.00 1.00 C ATOM 0 H MET A 58 -10.768 20.824 4.015 1.00 1.00 H new ATOM 0 HA MET A 58 -9.398 23.124 3.118 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.957 20.391 3.215 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.249 20.619 1.503 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.924 20.989 1.659 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.555 22.623 1.698 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.817 23.222 4.270 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.763 22.436 2.674 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.769 23.883 2.919 1.00 1.00 H new ATOM 840 N LYS A 59 -11.907 22.215 1.351 1.00 1.00 N ATOM 841 CA LYS A 59 -12.722 22.529 0.191 1.00 1.00 C ATOM 842 C LYS A 59 -12.075 21.927 -1.060 1.00 1.00 C ATOM 843 O LYS A 59 -12.069 22.550 -2.120 1.00 1.00 O ATOM 844 CB LYS A 59 -12.961 24.036 0.095 1.00 1.00 C ATOM 845 CG LYS A 59 -14.450 24.365 0.224 1.00 1.00 C ATOM 846 CD LYS A 59 -14.659 25.665 1.003 1.00 1.00 C ATOM 847 CE LYS A 59 -16.148 25.983 1.150 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.620 25.636 2.509 1.00 1.00 N ATOM 0 H LYS A 59 -12.368 21.634 2.051 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.710 22.079 0.287 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.403 24.547 0.880 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -12.584 24.408 -0.858 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.893 24.456 -0.768 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.964 23.547 0.729 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -14.203 25.579 1.989 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.157 26.485 0.490 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -16.320 27.042 0.958 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -16.720 25.427 0.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -17.633 25.858 2.592 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.473 24.621 2.679 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -16.086 26.185 3.213 1.00 1.00 H new ATOM 861 N LYS A 60 -11.547 20.724 -0.892 1.00 1.00 N ATOM 862 CA LYS A 60 -10.899 20.032 -1.994 1.00 1.00 C ATOM 863 C LYS A 60 -10.908 18.527 -1.720 1.00 1.00 C ATOM 864 O LYS A 60 -10.548 18.087 -0.628 1.00 1.00 O ATOM 865 CB LYS A 60 -9.501 20.603 -2.237 1.00 1.00 C ATOM 866 CG LYS A 60 -8.816 20.961 -0.916 1.00 1.00 C ATOM 867 CD LYS A 60 -7.604 21.864 -1.154 1.00 1.00 C ATOM 868 CE LYS A 60 -6.309 21.050 -1.174 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.290 21.717 -2.015 1.00 1.00 N ATOM 0 H LYS A 60 -11.554 20.211 -0.011 1.00 1.00 H new ATOM 0 HA LYS A 60 -11.450 20.192 -2.921 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.896 19.875 -2.778 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -9.571 21.490 -2.866 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.525 21.464 -0.259 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.501 20.050 -0.407 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -7.720 22.393 -2.100 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.550 22.620 -0.371 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.931 20.933 -0.159 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.507 20.049 -1.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -4.417 21.151 -2.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.647 21.807 -2.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.088 22.663 -1.632 1.00 1.00 H new ATOM 882 N GLY A 61 -11.323 17.776 -2.730 1.00 1.00 N ATOM 883 CA GLY A 61 -11.384 16.329 -2.612 1.00 1.00 C ATOM 884 C GLY A 61 -12.816 15.824 -2.795 1.00 1.00 C ATOM 885 O GLY A 61 -13.777 16.590 -2.849 1.00 1.00 O ATOM 0 H GLY A 61 -11.620 18.143 -3.634 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.735 15.872 -3.359 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -11.009 16.024 -1.635 1.00 1.00 H new ATOM 889 N PRO A 62 -12.939 14.498 -2.891 1.00 1.00 N ATOM 890 CA PRO A 62 -14.197 13.806 -3.065 1.00 1.00 C ATOM 891 C PRO A 62 -14.939 13.752 -1.737 1.00 1.00 C ATOM 892 O PRO A 62 -14.311 13.473 -0.717 1.00 1.00 O ATOM 893 CB PRO A 62 -13.812 12.405 -3.534 1.00 1.00 C ATOM 894 CG PRO A 62 -12.224 12.428 -3.767 1.00 1.00 C ATOM 895 CD PRO A 62 -11.832 13.569 -2.832 1.00 1.00 C ATOM 0 HA PRO A 62 -14.857 14.300 -3.778 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.085 11.657 -2.789 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.336 12.145 -4.454 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.750 11.485 -3.495 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.958 12.630 -4.805 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.672 13.209 -1.816 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.903 14.041 -3.153 1.00 1.00 H new ATOM 903 N THR A 63 -16.237 14.016 -1.770 1.00 1.00 N ATOM 904 CA THR A 63 -17.036 13.993 -0.557 1.00 1.00 C ATOM 905 C THR A 63 -18.185 12.992 -0.694 1.00 1.00 C ATOM 906 O THR A 63 -18.888 12.711 0.275 1.00 1.00 O ATOM 907 CB THR A 63 -17.507 15.422 -0.273 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.177 15.811 -1.469 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.343 16.409 -0.160 1.00 1.00 C ATOM 0 H THR A 63 -16.755 14.247 -2.618 1.00 1.00 H new ATOM 0 HA THR A 63 -16.449 13.653 0.296 1.00 1.00 H new ATOM 0 HB THR A 63 -18.087 15.437 0.650 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.516 16.725 -1.371 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.731 17.407 0.042 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.685 16.104 0.654 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.783 16.419 -1.095 1.00 1.00 H new ATOM 915 N LYS A 64 -18.340 12.480 -1.907 1.00 1.00 N ATOM 916 CA LYS A 64 -19.391 11.516 -2.183 1.00 1.00 C ATOM 917 C LYS A 64 -18.943 10.131 -1.714 1.00 1.00 C ATOM 918 O LYS A 64 -17.752 9.892 -1.521 1.00 1.00 O ATOM 919 CB LYS A 64 -19.789 11.566 -3.660 1.00 1.00 C ATOM 920 CG LYS A 64 -20.624 12.813 -3.960 1.00 1.00 C ATOM 921 CD LYS A 64 -22.045 12.433 -4.381 1.00 1.00 C ATOM 922 CE LYS A 64 -22.638 13.482 -5.323 1.00 1.00 C ATOM 923 NZ LYS A 64 -22.266 13.189 -6.725 1.00 1.00 N ATOM 0 H LYS A 64 -17.755 12.715 -2.709 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.293 11.766 -1.624 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.894 11.565 -4.282 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.357 10.672 -3.918 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.661 13.451 -3.077 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.149 13.391 -4.752 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -22.034 11.461 -4.874 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.676 12.335 -3.497 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -23.723 13.496 -5.224 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.280 14.473 -5.045 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -22.677 13.911 -7.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -21.230 13.198 -6.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -22.629 12.252 -6.992 1.00 1.00 H new ATOM 936 N CYS A 65 -19.921 9.253 -1.543 1.00 1.00 N ATOM 937 CA CYS A 65 -19.642 7.898 -1.099 1.00 1.00 C ATOM 938 C CYS A 65 -18.919 7.163 -2.230 1.00 1.00 C ATOM 939 O CYS A 65 -17.765 6.764 -2.077 1.00 1.00 O ATOM 940 CB CYS A 65 -20.916 7.170 -0.669 1.00 1.00 C ATOM 941 SG CYS A 65 -22.267 8.263 -0.092 1.00 1.00 S ATOM 0 H CYS A 65 -20.908 9.454 -1.704 1.00 1.00 H new ATOM 0 HA CYS A 65 -19.003 7.925 -0.216 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.280 6.578 -1.508 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.667 6.471 0.130 1.00 1.00 H new ATOM 946 N GLY A 66 -19.627 7.005 -3.338 1.00 1.00 N ATOM 947 CA GLY A 66 -19.067 6.324 -4.493 1.00 1.00 C ATOM 948 C GLY A 66 -17.630 6.781 -4.756 1.00 1.00 C ATOM 949 O GLY A 66 -16.845 6.053 -5.360 1.00 1.00 O ATOM 0 H GLY A 66 -20.584 7.337 -3.461 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.085 5.247 -4.329 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.682 6.523 -5.371 1.00 1.00 H new ATOM 953 N GLU A 67 -17.331 7.984 -4.288 1.00 1.00 N ATOM 954 CA GLU A 67 -16.003 8.546 -4.463 1.00 1.00 C ATOM 955 C GLU A 67 -15.000 7.834 -3.552 1.00 1.00 C ATOM 956 O GLU A 67 -13.865 7.579 -3.952 1.00 1.00 O ATOM 957 CB GLU A 67 -16.006 10.053 -4.203 1.00 1.00 C ATOM 958 CG GLU A 67 -16.780 10.797 -5.293 1.00 1.00 C ATOM 959 CD GLU A 67 -15.956 10.898 -6.579 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.509 11.996 -6.944 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.784 9.782 -7.205 1.00 1.00 O ATOM 0 H GLU A 67 -17.986 8.585 -3.788 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.698 8.390 -5.498 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.454 10.257 -3.231 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.981 10.421 -4.165 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.717 10.279 -5.497 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -17.038 11.796 -4.943 1.00 1.00 H new ATOM 969 N CYS A 68 -15.456 7.535 -2.344 1.00 1.00 N ATOM 970 CA CYS A 68 -14.613 6.858 -1.373 1.00 1.00 C ATOM 971 C CYS A 68 -14.890 5.355 -1.461 1.00 1.00 C ATOM 972 O CYS A 68 -13.966 4.547 -1.517 1.00 1.00 O ATOM 973 CB CYS A 68 -14.835 7.398 0.041 1.00 1.00 C ATOM 974 SG CYS A 68 -13.592 8.686 0.421 1.00 1.00 S ATOM 0 H CYS A 68 -16.398 7.749 -2.016 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.564 7.047 -1.603 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.839 7.813 0.127 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.763 6.586 0.765 1.00 1.00 H new ATOM 979 N HIS A 69 -16.180 5.020 -1.472 1.00 1.00 N ATOM 980 CA HIS A 69 -16.639 3.638 -1.551 1.00 1.00 C ATOM 981 C HIS A 69 -16.831 3.237 -3.025 1.00 1.00 C ATOM 982 O HIS A 69 -17.303 4.041 -3.827 1.00 1.00 O ATOM 983 CB HIS A 69 -17.896 3.481 -0.684 1.00 1.00 C ATOM 984 CG HIS A 69 -17.735 3.723 0.799 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.162 2.832 1.615 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.091 4.790 1.588 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.162 3.325 2.864 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.724 4.532 2.903 1.00 1.00 N ATOM 0 H HIS A 69 -16.936 5.703 -1.426 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.896 2.947 -1.151 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.656 4.167 -1.060 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.281 2.471 -0.824 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.786 1.926 1.335 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.579 5.688 1.241 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.759 2.810 3.724 1.00 1.00 H new ATOM 996 N LYS A 70 -16.458 2.003 -3.330 1.00 1.00 N ATOM 997 CA LYS A 70 -16.587 1.496 -4.686 1.00 1.00 C ATOM 998 C LYS A 70 -16.421 -0.025 -4.675 1.00 1.00 C ATOM 999 O LYS A 70 -15.522 -0.551 -4.020 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.611 2.214 -5.621 1.00 1.00 C ATOM 1001 CG LYS A 70 -16.307 2.644 -6.913 1.00 1.00 C ATOM 1002 CD LYS A 70 -16.256 1.531 -7.962 1.00 1.00 C ATOM 1003 CE LYS A 70 -17.261 1.788 -9.085 1.00 1.00 C ATOM 1004 NZ LYS A 70 -18.599 1.278 -8.710 1.00 1.00 N ATOM 0 H LYS A 70 -16.066 1.339 -2.662 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.582 1.706 -5.078 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.197 3.088 -5.119 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.775 1.555 -5.856 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -17.345 2.902 -6.702 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -15.829 3.541 -7.306 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -15.251 1.464 -8.378 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -16.470 0.572 -7.490 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -17.318 2.857 -9.293 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -16.924 1.303 -10.001 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -19.270 1.461 -9.484 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -18.544 0.254 -8.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -18.925 1.760 -7.848 1.00 1.00 H new ATOM 1017 N LYS A 71 -17.304 -0.690 -5.405 1.00 1.00 N ATOM 1018 CA LYS A 71 -17.266 -2.140 -5.488 1.00 1.00 C ATOM 1019 C LYS A 71 -16.438 -2.556 -6.705 1.00 1.00 C ATOM 1020 O LYS A 71 -16.217 -1.757 -7.614 1.00 1.00 O ATOM 1021 CB LYS A 71 -18.684 -2.713 -5.484 1.00 1.00 C ATOM 1022 CG LYS A 71 -19.526 -2.103 -6.607 1.00 1.00 C ATOM 1023 CD LYS A 71 -20.139 -3.193 -7.488 1.00 1.00 C ATOM 1024 CE LYS A 71 -19.620 -3.094 -8.924 1.00 1.00 C ATOM 1025 NZ LYS A 71 -20.612 -3.646 -9.873 1.00 1.00 N ATOM 0 H LYS A 71 -18.050 -0.251 -5.945 1.00 1.00 H new ATOM 0 HA LYS A 71 -16.774 -2.559 -4.610 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -18.643 -3.796 -5.603 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -19.157 -2.516 -4.522 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.318 -1.488 -6.179 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -18.905 -1.445 -7.215 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -19.900 -4.174 -7.078 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -21.225 -3.102 -7.483 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -19.412 -2.053 -9.171 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -18.679 -3.637 -9.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -20.244 -3.571 -10.843 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -20.790 -4.645 -9.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -21.500 -3.110 -9.798 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 0.221 8.218 6.644 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -0.714 4.938 7.355 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.528 7.329 7.442 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.295 11.386 5.934 1.00 1.00 C HETATM 1043 CHD HEC A 101 -3.069 9.109 6.475 1.00 1.00 C HETATM 1044 NA HEC A 101 1.198 6.496 7.326 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.642 5.235 7.450 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.673 4.254 7.694 1.00 1.00 C HETATM 1047 C3A HEC A 101 2.849 4.914 7.718 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.559 6.309 7.490 1.00 1.00 C HETATM 1049 CMA HEC A 101 4.222 4.347 7.938 1.00 1.00 C HETATM 1050 CAA HEC A 101 1.433 2.785 7.879 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.790 1.938 6.660 1.00 1.00 C HETATM 1052 CGA HEC A 101 0.773 0.826 6.448 1.00 1.00 C HETATM 1053 O1A HEC A 101 0.783 -0.116 7.269 1.00 1.00 O HETATM 1054 O2A HEC A 101 0.004 0.939 5.469 1.00 1.00 O HETATM 1055 NB HEC A 101 2.054 9.134 6.634 1.00 1.00 N HETATM 1056 C1B HEC A 101 3.269 8.648 7.085 1.00 1.00 C HETATM 1057 C2B HEC A 101 4.245 9.710 7.138 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.629 10.836 6.720 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.265 10.483 6.406 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.670 9.546 7.581 1.00 1.00 C HETATM 1061 CAB HEC A 101 4.210 12.214 6.592 1.00 1.00 C HETATM 1062 CBB HEC A 101 5.730 12.261 6.720 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.748 9.880 6.073 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.181 11.137 5.955 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.190 12.158 6.107 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.365 11.528 6.314 1.00 1.00 C HETATM 1067 C4C HEC A 101 -2.095 10.109 6.294 1.00 1.00 C HETATM 1068 CMC HEC A 101 -0.934 13.636 6.037 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.718 12.141 6.530 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.289 12.833 5.296 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.521 7.226 6.859 1.00 1.00 N HETATM 1072 C1D HEC A 101 -2.788 7.779 6.767 1.00 1.00 C HETATM 1073 C2D HEC A 101 -3.792 6.773 7.022 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.143 5.616 7.266 1.00 1.00 C HETATM 1075 C4D HEC A 101 -1.729 5.893 7.167 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.273 7.017 7.006 1.00 1.00 C HETATM 1077 CAD HEC A 101 -3.735 4.274 7.585 1.00 1.00 C HETATM 1078 CBD HEC A 101 -3.273 3.693 8.919 1.00 1.00 C HETATM 1079 CGD HEC A 101 -3.335 4.739 10.023 1.00 1.00 C HETATM 1080 O1D HEC A 101 -2.396 4.750 10.848 1.00 1.00 O HETATM 1081 O2D HEC A 101 -4.321 5.508 10.022 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.526 7.767 7.755 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.572 7.373 6.020 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -5.797 6.088 7.231 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.225 13.920 6.815 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.521 13.888 5.060 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -1.870 14.175 6.185 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.692 9.185 8.609 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 6.172 8.827 6.933 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 6.182 10.507 7.523 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 4.264 3.865 8.915 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 4.441 3.614 7.162 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 4.958 5.150 7.897 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -3.899 2.842 9.185 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -2.253 3.321 8.823 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -3.619 13.634 4.985 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.389 12.110 4.487 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -5.268 13.250 5.533 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 6.025 11.877 7.697 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 6.180 11.649 5.939 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 6.072 13.291 6.616 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 1.832 2.571 5.773 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 2.783 1.507 6.791 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -4.822 4.361 7.595 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -3.478 3.576 6.788 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 2.014 2.437 8.733 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 0.382 2.627 8.123 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.116 9.397 6.380 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.643 12.334 5.524 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.553 7.067 7.703 1.00 1.00 H new HETATM 0 HHA HEC A 101 -1.010 3.892 7.432 1.00 1.00 H new HETATM 0 H2D HEC A 101 -5.145 4.983 9.947 1.00 1.00 H new HETATM 0 H2A HEC A 101 -0.429 0.078 5.292 1.00 1.00 H new HETATM 1082 FE HEC A 102 -8.126 13.416 0.710 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -8.094 14.757 -2.480 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.620 10.539 -0.581 1.00 1.00 C HETATM 1085 CHC HEC A 102 -8.162 11.995 3.833 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.819 16.339 1.946 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.753 12.790 -1.143 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.608 13.472 -2.340 1.00 1.00 C HETATM 1089 C2A HEC A 102 -9.069 12.658 -3.439 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.494 11.488 -2.916 1.00 1.00 C HETATM 1091 C4A HEC A 102 -9.299 11.566 -1.487 1.00 1.00 C HETATM 1092 CMA HEC A 102 -10.065 10.304 -3.641 1.00 1.00 C HETATM 1093 CAA HEC A 102 -9.061 13.075 -4.880 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.696 12.958 -5.553 1.00 1.00 C HETATM 1095 CGA HEC A 102 -7.167 11.534 -5.474 1.00 1.00 C HETATM 1096 O1A HEC A 102 -6.256 11.312 -4.646 1.00 1.00 O HETATM 1097 O2A HEC A 102 -7.681 10.694 -6.243 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.766 11.636 1.457 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.346 10.576 0.783 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.632 9.497 1.698 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.230 9.897 2.922 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.690 11.229 2.777 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.262 8.190 1.314 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.308 9.138 4.214 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.708 7.736 4.150 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.545 14.048 2.547 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.791 13.426 3.759 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.562 14.345 4.849 1.00 1.00 C HETATM 1109 C3C HEC A 102 -7.179 15.519 4.305 1.00 1.00 C HETATM 1110 C4C HEC A 102 -7.167 15.339 2.872 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.731 14.011 6.303 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.823 16.793 5.014 1.00 1.00 C HETATM 1113 CBC HEC A 102 -5.514 16.725 5.794 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.669 15.227 -0.086 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.960 16.220 0.567 1.00 1.00 C HETATM 1116 C2D HEC A 102 -6.375 17.130 -0.390 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.727 16.694 -1.618 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.532 15.510 -1.434 1.00 1.00 C HETATM 1119 CMD HEC A 102 -5.540 18.326 -0.038 1.00 1.00 C HETATM 1120 CAD HEC A 102 -6.372 17.294 -2.948 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.444 16.426 -3.792 1.00 1.00 C HETATM 1122 CGD HEC A 102 -4.101 16.228 -3.103 1.00 1.00 C HETATM 1123 O1D HEC A 102 -3.916 15.135 -2.525 1.00 1.00 O HETATM 1124 O2D HEC A 102 -3.285 17.172 -3.167 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -6.125 19.010 0.577 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.658 18.004 0.516 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -5.229 18.834 -0.951 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.762 13.711 6.490 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -7.061 13.193 6.569 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.493 14.886 6.907 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.247 8.373 0.885 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.635 7.686 0.579 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.362 7.561 2.198 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -10.969 10.603 -4.172 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.333 9.927 -4.355 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.308 9.521 -2.923 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -5.910 15.457 -3.971 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -5.291 16.891 -4.766 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -5.582 15.944 6.552 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -4.695 16.498 5.111 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.328 17.684 6.277 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.237 7.148 3.400 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.654 7.803 3.881 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -8.804 7.254 5.123 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -7.774 13.263 -6.597 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -6.991 13.638 -5.074 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -7.289 17.479 -3.508 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -5.898 18.262 -2.784 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.778 12.464 -5.428 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.402 14.108 -4.951 1.00 1.00 H new HETATM 0 HHD HEC A 102 -6.411 17.271 2.336 1.00 1.00 H new HETATM 0 HHC HEC A 102 -8.013 11.491 4.788 1.00 1.00 H new HETATM 0 HHB HEC A 102 -10.118 9.653 -0.974 1.00 1.00 H new HETATM 0 HHA HEC A 102 -8.129 15.212 -3.470 1.00 1.00 H new HETATM 0 H2D HEC A 102 -2.623 16.985 -3.865 1.00 1.00 H new HETATM 0 H2A HEC A 102 -7.259 9.821 -6.103 1.00 1.00 H new HETATM 1125 FE HEC A 103 -17.997 5.734 4.481 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -16.947 3.141 6.437 1.00 1.00 C HETATM 1127 CHB HEC A 103 -21.265 4.665 4.778 1.00 1.00 C HETATM 1128 CHC HEC A 103 -19.054 8.223 2.292 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.731 6.681 3.930 1.00 1.00 C HETATM 1130 NA HEC A 103 -18.909 4.214 5.394 1.00 1.00 N HETATM 1131 C1A HEC A 103 -18.311 3.255 6.194 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.311 2.373 6.749 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.510 2.792 6.291 1.00 1.00 C HETATM 1134 C4A HEC A 103 -20.264 3.938 5.448 1.00 1.00 C HETATM 1135 CMA HEC A 103 -21.864 2.211 6.577 1.00 1.00 C HETATM 1136 CAA HEC A 103 -19.024 1.216 7.661 1.00 1.00 C HETATM 1137 CBA HEC A 103 -17.822 0.376 7.240 1.00 1.00 C HETATM 1138 CGA HEC A 103 -18.206 -1.088 7.081 1.00 1.00 C HETATM 1139 O1A HEC A 103 -19.366 -1.330 6.683 1.00 1.00 O HETATM 1140 O2A HEC A 103 -17.332 -1.938 7.360 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.785 6.306 3.681 1.00 1.00 N HETATM 1142 C1B HEC A 103 -21.028 5.767 3.962 1.00 1.00 C HETATM 1143 C2B HEC A 103 -22.063 6.513 3.286 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.453 7.500 2.595 1.00 1.00 C HETATM 1145 C4B HEC A 103 -20.035 7.375 2.838 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.531 6.211 3.364 1.00 1.00 C HETATM 1147 CAB HEC A 103 -22.087 8.549 1.729 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.362 9.150 2.313 1.00 1.00 C HETATM 1149 NC HEC A 103 -17.097 7.248 3.464 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.697 8.236 2.704 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.693 9.071 2.087 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.490 8.593 2.468 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.736 7.458 3.325 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.981 10.242 1.193 1.00 1.00 C HETATM 1155 CAC HEC A 103 -14.130 9.110 2.097 1.00 1.00 C HETATM 1156 CBC HEC A 103 -14.006 10.629 2.157 1.00 1.00 C HETATM 1157 ND HEC A 103 -16.215 5.062 5.055 1.00 1.00 N HETATM 1158 C1D HEC A 103 -14.968 5.572 4.736 1.00 1.00 C HETATM 1159 C2D HEC A 103 -13.931 4.786 5.361 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.542 3.804 6.057 1.00 1.00 C HETATM 1161 C4D HEC A 103 -15.963 3.972 5.869 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.459 5.050 5.233 1.00 1.00 C HETATM 1163 CAD HEC A 103 -13.906 2.723 6.882 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.280 1.601 6.059 1.00 1.00 C HETATM 1165 CGD HEC A 103 -12.432 0.688 6.932 1.00 1.00 C HETATM 1166 O1D HEC A 103 -12.815 0.513 8.110 1.00 1.00 O HETATM 1167 O2D HEC A 103 -11.417 0.182 6.408 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -12.169 4.991 4.184 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -12.233 6.045 5.617 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -11.905 4.306 5.805 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.543 9.905 0.322 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.567 10.981 1.739 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -16.043 10.691 0.868 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.716 5.204 2.990 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.862 6.279 4.400 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -24.083 6.930 2.759 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -21.894 1.175 6.239 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -22.057 2.249 7.649 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.625 2.786 6.050 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -14.065 1.020 5.575 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -12.664 2.027 5.267 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.720 11.080 1.468 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -14.214 10.971 3.171 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.995 10.923 1.875 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -24.102 8.363 2.458 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -23.138 9.618 3.272 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.758 9.899 1.628 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -17.421 0.754 6.300 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -17.031 0.469 7.984 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -13.138 3.168 7.515 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.658 2.297 7.546 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.854 1.595 8.669 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -19.904 0.575 7.706 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.694 6.968 3.755 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.356 8.913 1.504 1.00 1.00 H new HETATM 0 HHB HEC A 103 -22.298 4.343 4.907 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.617 2.354 7.114 1.00 1.00 H new HETATM 0 H2D HEC A 103 -11.608 -0.745 6.154 1.00 1.00 H new HETATM 0 H2A HEC A 103 -17.399 -2.177 8.308 1.00 1.00 H new