USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 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 Set 1.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -177:sc= 0.0456 (180deg=0.0277) USER MOD Set 2.2: A 103 HEC O2D : rot 165:sc= -0.828 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 166:sc= -0.748! (180deg=-0.595) USER MOD Set 3.2: A 101 HEC O2D : rot 60:sc= -3.79! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (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 :FLIP amide:sc= -1.01 F(o=-1.8!,f=-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 :FLIP amide:sc= -2.02 F(o=-3.1!,f=-2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 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 45 MET CE :methyl -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 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+ 137:sc= 0.747 (180deg=0.04) 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 102 HEC O2A : rot 165:sc= -0.434 USER MOD Single : A 102 HEC O2D : rot 165:sc= 0 USER MOD Single : A 103 HEC O2A : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA ALA A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C ALA A 1 1.532 1.100 -2.161 1.00 1.00 C ATOM 4 O ALA A 1 1.134 0.830 -3.293 1.00 1.00 O ATOM 5 CB ALA A 1 1.994 -1.386 -1.889 1.00 1.00 C ATOM 0 H1 ALA A 1 1.691 -0.747 0.625 1.00 1.00 H new ATOM 0 H2 ALA A 1 1.428 0.923 0.467 1.00 1.00 H new ATOM 0 H3 ALA A 1 0.320 -0.177 -0.199 1.00 1.00 H new ATOM 0 HA ALA A 1 3.126 0.214 -1.059 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.555 -1.386 -2.823 1.00 1.00 H new ATOM 0 HB2 ALA A 1 2.418 -2.127 -1.211 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.952 -1.634 -2.092 1.00 1.00 H new ATOM 11 N ASP A 2 1.534 2.316 -1.636 1.00 1.00 N ATOM 12 CA ASP A 2 1.047 3.458 -2.392 1.00 1.00 C ATOM 13 C ASP A 2 -0.468 3.572 -2.217 1.00 1.00 C ATOM 14 O ASP A 2 -0.994 4.669 -2.032 1.00 1.00 O ATOM 15 CB ASP A 2 1.340 3.295 -3.885 1.00 1.00 C ATOM 16 CG ASP A 2 2.699 2.675 -4.214 1.00 1.00 C ATOM 17 OD1 ASP A 2 3.737 3.089 -3.677 1.00 1.00 O ATOM 18 OD2 ASP A 2 2.666 1.713 -5.073 1.00 1.00 O ATOM 0 H ASP A 2 1.865 2.536 -0.697 1.00 1.00 H new ATOM 0 HA ASP A 2 1.553 4.349 -2.020 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.559 2.677 -4.328 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.280 4.274 -4.361 1.00 1.00 H new ATOM 24 N ASP A 3 -1.127 2.425 -2.281 1.00 1.00 N ATOM 25 CA ASP A 3 -2.572 2.382 -2.132 1.00 1.00 C ATOM 26 C ASP A 3 -2.927 1.597 -0.868 1.00 1.00 C ATOM 27 O ASP A 3 -2.543 0.437 -0.725 1.00 1.00 O ATOM 28 CB ASP A 3 -3.229 1.682 -3.323 1.00 1.00 C ATOM 29 CG ASP A 3 -2.771 2.177 -4.697 1.00 1.00 C ATOM 30 OD1 ASP A 3 -2.345 1.385 -5.551 1.00 1.00 O ATOM 31 OD2 ASP A 3 -2.867 3.450 -4.877 1.00 1.00 O ATOM 0 H ASP A 3 -0.687 1.518 -2.434 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.935 3.408 -2.072 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.028 0.613 -3.253 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -4.309 1.809 -3.249 1.00 1.00 H new ATOM 37 N ILE A 4 -3.655 2.261 0.018 1.00 1.00 N ATOM 38 CA ILE A 4 -4.066 1.640 1.265 1.00 1.00 C ATOM 39 C ILE A 4 -5.547 1.265 1.180 1.00 1.00 C ATOM 40 O ILE A 4 -6.413 2.139 1.185 1.00 1.00 O ATOM 41 CB ILE A 4 -3.728 2.545 2.452 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.213 2.688 2.617 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.400 2.045 3.732 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.857 3.136 4.036 1.00 1.00 C ATOM 0 H ILE A 4 -3.971 3.223 -0.103 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.512 0.716 1.430 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.125 3.539 2.248 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.728 1.736 2.400 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.832 3.412 1.897 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -4.143 2.706 4.560 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.481 2.037 3.596 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -4.055 1.035 3.954 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.775 3.230 4.127 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.324 4.099 4.241 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -2.219 2.398 4.752 1.00 1.00 H new ATOM 51 N VAL A 5 -5.793 -0.034 1.104 1.00 1.00 N ATOM 52 CA VAL A 5 -7.155 -0.535 1.018 1.00 1.00 C ATOM 53 C VAL A 5 -7.754 -0.614 2.424 1.00 1.00 C ATOM 54 O VAL A 5 -7.188 -1.253 3.309 1.00 1.00 O ATOM 55 CB VAL A 5 -7.174 -1.877 0.284 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.540 -2.553 0.412 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.783 -1.703 -1.185 1.00 1.00 C ATOM 0 H VAL A 5 -5.072 -0.756 1.100 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.777 0.146 0.437 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.435 -2.526 0.753 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.526 -3.505 -0.119 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.762 -2.728 1.465 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.307 -1.909 -0.019 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.804 -2.672 -1.684 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.487 -1.028 -1.672 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.778 -1.285 -1.247 1.00 1.00 H new ATOM 63 N LEU A 6 -8.892 0.045 2.585 1.00 1.00 N ATOM 64 CA LEU A 6 -9.575 0.057 3.868 1.00 1.00 C ATOM 65 C LEU A 6 -10.798 -0.860 3.799 1.00 1.00 C ATOM 66 O LEU A 6 -11.924 -0.388 3.646 1.00 1.00 O ATOM 67 CB LEU A 6 -9.904 1.492 4.286 1.00 1.00 C ATOM 68 CG LEU A 6 -8.757 2.499 4.188 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.290 3.930 4.101 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.773 2.323 5.347 1.00 1.00 C ATOM 0 H LEU A 6 -9.358 0.575 1.849 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.925 -0.337 4.649 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.728 1.849 3.669 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.261 1.477 5.316 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.208 2.304 3.267 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.454 4.626 4.032 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.920 4.031 3.217 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.877 4.155 4.992 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.967 3.051 5.254 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.293 2.477 6.292 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.357 1.316 5.321 1.00 1.00 H new ATOM 78 N LYS A 7 -10.535 -2.153 3.914 1.00 1.00 N ATOM 79 CA LYS A 7 -11.601 -3.140 3.867 1.00 1.00 C ATOM 80 C LYS A 7 -12.839 -2.581 4.570 1.00 1.00 C ATOM 81 O LYS A 7 -12.795 -2.272 5.760 1.00 1.00 O ATOM 82 CB LYS A 7 -11.120 -4.476 4.438 1.00 1.00 C ATOM 83 CG LYS A 7 -10.597 -4.305 5.865 1.00 1.00 C ATOM 84 CD LYS A 7 -9.083 -4.523 5.925 1.00 1.00 C ATOM 85 CE LYS A 7 -8.448 -3.660 7.016 1.00 1.00 C ATOM 86 NZ LYS A 7 -7.904 -4.511 8.099 1.00 1.00 N ATOM 0 H LYS A 7 -9.600 -2.540 4.040 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.885 -3.345 2.835 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.939 -5.195 4.431 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.332 -4.884 3.805 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.839 -3.306 6.227 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -11.096 -5.013 6.526 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.871 -5.574 6.119 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -8.639 -4.281 4.960 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -7.651 -3.051 6.589 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -9.190 -2.973 7.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -7.476 -3.909 8.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -8.672 -5.073 8.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -7.181 -5.149 7.709 1.00 1.00 H new ATOM 99 N ALA A 8 -13.915 -2.469 3.805 1.00 1.00 N ATOM 100 CA ALA A 8 -15.163 -1.953 4.339 1.00 1.00 C ATOM 101 C ALA A 8 -16.280 -2.968 4.088 1.00 1.00 C ATOM 102 O ALA A 8 -16.248 -3.698 3.099 1.00 1.00 O ATOM 103 CB ALA A 8 -15.463 -0.590 3.712 1.00 1.00 C ATOM 0 H ALA A 8 -13.948 -2.727 2.819 1.00 1.00 H new ATOM 0 HA ALA A 8 -15.087 -1.807 5.416 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.400 -0.203 4.113 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.655 0.103 3.945 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.548 -0.698 2.631 1.00 1.00 H new ATOM 109 N LYS A 9 -17.240 -2.982 5.001 1.00 1.00 N ATOM 110 CA LYS A 9 -18.364 -3.897 4.890 1.00 1.00 C ATOM 111 C LYS A 9 -19.369 -3.342 3.878 1.00 1.00 C ATOM 112 O LYS A 9 -20.295 -4.042 3.471 1.00 1.00 O ATOM 113 CB LYS A 9 -18.968 -4.172 6.269 1.00 1.00 C ATOM 114 CG LYS A 9 -18.612 -5.580 6.752 1.00 1.00 C ATOM 115 CD LYS A 9 -17.991 -5.538 8.150 1.00 1.00 C ATOM 116 CE LYS A 9 -16.812 -6.508 8.255 1.00 1.00 C ATOM 117 NZ LYS A 9 -16.967 -7.387 9.435 1.00 1.00 N ATOM 0 H LYS A 9 -17.263 -2.375 5.820 1.00 1.00 H new ATOM 0 HA LYS A 9 -18.033 -4.865 4.513 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.602 -3.435 6.984 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -20.052 -4.062 6.224 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.508 -6.201 6.766 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.914 -6.043 6.054 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.654 -4.525 8.372 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -18.745 -5.794 8.895 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -16.749 -7.112 7.350 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -15.879 -5.949 8.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -16.158 -8.039 9.491 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -17.005 -6.807 10.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.847 -7.934 9.347 1.00 1.00 H new ATOM 130 N ASN A 10 -19.152 -2.091 3.501 1.00 1.00 N ATOM 131 CA ASN A 10 -20.027 -1.435 2.544 1.00 1.00 C ATOM 132 C ASN A 10 -19.182 -0.809 1.433 1.00 1.00 C ATOM 133 O ASN A 10 -19.243 0.399 1.208 1.00 1.00 O ATOM 134 CB ASN A 10 -20.834 -0.319 3.211 1.00 1.00 C ATOM 135 CG ASN A 10 -21.790 -0.887 4.261 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.391 -0.697 5.516 1.00 1.00 O flip ATOM 137 ND2 ASN A 10 -22.823 -1.459 3.953 1.00 1.00 N flip ATOM 0 H ASN A 10 -18.383 -1.514 3.841 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.710 -2.184 2.143 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -20.156 0.395 3.679 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.400 0.227 2.456 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.070 -1.571 2.970 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -23.439 -1.825 4.679 1.00 1.00 H new ATOM 143 N GLY A 11 -18.413 -1.658 0.768 1.00 1.00 N ATOM 144 CA GLY A 11 -17.557 -1.203 -0.314 1.00 1.00 C ATOM 145 C GLY A 11 -16.179 -0.794 0.211 1.00 1.00 C ATOM 146 O GLY A 11 -16.077 -0.104 1.224 1.00 1.00 O ATOM 0 H GLY A 11 -18.365 -2.659 0.958 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.447 -1.996 -1.054 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.023 -0.357 -0.820 1.00 1.00 H new ATOM 150 N ASP A 12 -15.154 -1.236 -0.501 1.00 1.00 N ATOM 151 CA ASP A 12 -13.787 -0.925 -0.119 1.00 1.00 C ATOM 152 C ASP A 12 -13.474 0.524 -0.499 1.00 1.00 C ATOM 153 O ASP A 12 -14.244 1.163 -1.214 1.00 1.00 O ATOM 154 CB ASP A 12 -12.792 -1.830 -0.848 1.00 1.00 C ATOM 155 CG ASP A 12 -12.386 -1.354 -2.244 1.00 1.00 C ATOM 156 OD1 ASP A 12 -11.295 -0.797 -2.437 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.256 -1.577 -3.170 1.00 1.00 O ATOM 0 H ASP A 12 -15.242 -1.808 -1.341 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.694 -1.079 0.956 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.894 -1.923 -0.237 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -13.225 -2.827 -0.932 1.00 1.00 H new ATOM 163 N VAL A 13 -12.341 1.000 -0.002 1.00 1.00 N ATOM 164 CA VAL A 13 -11.917 2.362 -0.280 1.00 1.00 C ATOM 165 C VAL A 13 -10.486 2.345 -0.823 1.00 1.00 C ATOM 166 O VAL A 13 -9.573 1.854 -0.160 1.00 1.00 O ATOM 167 CB VAL A 13 -12.070 3.224 0.975 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.406 4.590 0.785 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.543 3.378 1.357 1.00 1.00 C ATOM 0 H VAL A 13 -11.704 0.467 0.591 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.550 2.811 -1.045 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.563 2.716 1.795 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.529 5.183 1.691 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.344 4.453 0.582 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.872 5.108 -0.054 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.624 3.995 2.252 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.083 3.853 0.538 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.973 2.396 1.553 1.00 1.00 H new ATOM 175 N LYS A 14 -10.336 2.886 -2.023 1.00 1.00 N ATOM 176 CA LYS A 14 -9.032 2.939 -2.662 1.00 1.00 C ATOM 177 C LYS A 14 -8.387 4.299 -2.384 1.00 1.00 C ATOM 178 O LYS A 14 -8.668 5.276 -3.076 1.00 1.00 O ATOM 179 CB LYS A 14 -9.151 2.608 -4.150 1.00 1.00 C ATOM 180 CG LYS A 14 -7.773 2.365 -4.770 1.00 1.00 C ATOM 181 CD LYS A 14 -7.193 1.026 -4.310 1.00 1.00 C ATOM 182 CE LYS A 14 -7.208 0.003 -5.448 1.00 1.00 C ATOM 183 NZ LYS A 14 -6.131 -0.995 -5.260 1.00 1.00 N ATOM 0 H LYS A 14 -11.096 3.291 -2.570 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.371 2.181 -2.242 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.774 1.723 -4.281 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.648 3.427 -4.670 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.852 2.377 -5.857 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.097 3.173 -4.491 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.171 1.170 -3.958 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.770 0.646 -3.467 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -8.175 -0.499 -5.482 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.079 0.511 -6.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.154 -1.682 -6.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -5.209 -0.513 -5.250 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -6.272 -1.492 -4.357 1.00 1.00 H new ATOM 196 N PHE A 15 -7.536 4.318 -1.369 1.00 1.00 N ATOM 197 CA PHE A 15 -6.849 5.541 -0.991 1.00 1.00 C ATOM 198 C PHE A 15 -5.342 5.419 -1.227 1.00 1.00 C ATOM 199 O PHE A 15 -4.663 4.557 -0.674 1.00 1.00 O ATOM 200 CB PHE A 15 -7.104 5.754 0.502 1.00 1.00 C ATOM 201 CG PHE A 15 -6.379 6.966 1.091 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.875 8.217 0.895 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.237 6.792 1.810 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.201 9.341 1.442 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.564 7.916 2.356 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.060 9.167 2.161 1.00 1.00 C ATOM 0 H PHE A 15 -7.307 3.506 -0.796 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.217 6.374 -1.589 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.176 5.871 0.664 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.795 4.860 1.044 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.781 8.356 0.324 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -4.843 5.799 1.965 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.595 10.335 1.287 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -3.658 7.778 2.927 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.548 10.022 2.577 1.00 1.00 H new ATOM 216 N PRO A 16 -4.829 6.316 -2.072 1.00 1.00 N ATOM 217 CA PRO A 16 -3.431 6.386 -2.438 1.00 1.00 C ATOM 218 C PRO A 16 -2.672 7.201 -1.401 1.00 1.00 C ATOM 219 O PRO A 16 -2.746 8.428 -1.431 1.00 1.00 O ATOM 220 CB PRO A 16 -3.416 7.079 -3.798 1.00 1.00 C ATOM 221 CG PRO A 16 -4.622 7.999 -3.713 1.00 1.00 C ATOM 222 CD PRO A 16 -5.599 7.343 -2.740 1.00 1.00 C ATOM 0 HA PRO A 16 -2.955 5.407 -2.483 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.492 7.635 -3.960 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.507 6.366 -4.618 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.331 8.989 -3.362 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.080 8.130 -4.693 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -5.993 8.068 -2.027 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.453 6.917 -3.266 1.00 1.00 H new ATOM 230 N HIS A 17 -1.961 6.516 -0.505 1.00 1.00 N ATOM 231 CA HIS A 17 -1.184 7.160 0.549 1.00 1.00 C ATOM 232 C HIS A 17 0.020 7.896 -0.067 1.00 1.00 C ATOM 233 O HIS A 17 0.092 9.122 -0.006 1.00 1.00 O ATOM 234 CB HIS A 17 -0.810 6.107 1.603 1.00 1.00 C ATOM 235 CG HIS A 17 -0.131 6.612 2.855 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.176 6.889 2.903 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.625 6.881 4.109 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.484 7.314 4.139 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.408 7.328 4.924 1.00 1.00 N ATOM 0 H HIS A 17 -1.909 5.497 -0.491 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.765 7.925 1.063 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.719 5.582 1.897 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.155 5.373 1.133 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.832 6.793 2.128 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.655 6.763 4.413 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.474 7.606 4.455 1.00 1.00 H new ATOM 247 N LYS A 18 0.925 7.118 -0.642 1.00 1.00 N ATOM 248 CA LYS A 18 2.111 7.684 -1.263 1.00 1.00 C ATOM 249 C LYS A 18 1.726 8.955 -2.024 1.00 1.00 C ATOM 250 O LYS A 18 2.539 9.866 -2.167 1.00 1.00 O ATOM 251 CB LYS A 18 2.812 6.637 -2.131 1.00 1.00 C ATOM 252 CG LYS A 18 3.997 7.250 -2.881 1.00 1.00 C ATOM 253 CD LYS A 18 4.572 6.263 -3.899 1.00 1.00 C ATOM 254 CE LYS A 18 4.372 6.771 -5.328 1.00 1.00 C ATOM 255 NZ LYS A 18 5.656 6.770 -6.063 1.00 1.00 N ATOM 0 H LYS A 18 0.861 6.101 -0.691 1.00 1.00 H new ATOM 0 HA LYS A 18 2.837 7.974 -0.504 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.159 5.814 -1.506 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.103 6.218 -2.845 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.678 8.159 -3.391 1.00 1.00 H new ATOM 0 HG3 LYS A 18 4.772 7.538 -2.171 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.635 6.115 -3.707 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.089 5.293 -3.783 1.00 1.00 H new ATOM 0 HE2 LYS A 18 3.649 6.141 -5.846 1.00 1.00 H new ATOM 0 HE3 LYS A 18 3.959 7.779 -5.307 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 5.502 7.118 -7.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.335 7.390 -5.576 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.035 5.802 -6.099 1.00 1.00 H new ATOM 268 N ALA A 19 0.487 8.974 -2.491 1.00 1.00 N ATOM 269 CA ALA A 19 -0.015 10.118 -3.233 1.00 1.00 C ATOM 270 C ALA A 19 -0.417 11.220 -2.251 1.00 1.00 C ATOM 271 O ALA A 19 -0.080 12.387 -2.442 1.00 1.00 O ATOM 272 CB ALA A 19 -1.179 9.678 -4.124 1.00 1.00 C ATOM 0 H ALA A 19 -0.184 8.216 -2.370 1.00 1.00 H new ATOM 0 HA ALA A 19 0.759 10.523 -3.885 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -1.556 10.536 -4.681 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.835 8.915 -4.822 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -1.977 9.269 -3.504 1.00 1.00 H new ATOM 278 N HIS A 20 -1.140 10.811 -1.209 1.00 1.00 N ATOM 279 CA HIS A 20 -1.615 11.717 -0.169 1.00 1.00 C ATOM 280 C HIS A 20 -0.436 12.148 0.723 1.00 1.00 C ATOM 281 O HIS A 20 -0.610 12.967 1.624 1.00 1.00 O ATOM 282 CB HIS A 20 -2.768 11.044 0.589 1.00 1.00 C ATOM 283 CG HIS A 20 -4.169 11.453 0.197 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.695 11.167 -0.998 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.140 12.140 0.887 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.944 11.656 -1.050 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.269 12.266 0.088 1.00 1.00 N ATOM 0 H HIS A 20 -1.412 9.839 -1.064 1.00 1.00 H new ATOM 0 HA HIS A 20 -2.016 12.637 -0.594 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.679 9.966 0.456 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.640 11.246 1.652 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.224 10.660 -1.748 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.040 12.522 1.892 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.600 11.566 -1.903 1.00 1.00 H new ATOM 295 N GLN A 21 0.727 11.581 0.439 1.00 1.00 N ATOM 296 CA GLN A 21 1.921 11.899 1.203 1.00 1.00 C ATOM 297 C GLN A 21 2.223 13.396 1.117 1.00 1.00 C ATOM 298 O GLN A 21 3.014 13.920 1.900 1.00 1.00 O ATOM 299 CB GLN A 21 3.115 11.071 0.724 1.00 1.00 C ATOM 300 CG GLN A 21 3.985 10.631 1.903 1.00 1.00 C ATOM 301 CD GLN A 21 4.687 11.830 2.545 1.00 1.00 C ATOM 302 OE1 GLN A 21 4.007 12.381 3.546 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 5.773 12.227 2.156 1.00 1.00 N flip ATOM 0 H GLN A 21 0.868 10.903 -0.310 1.00 1.00 H new ATOM 0 HA GLN A 21 1.739 11.644 2.247 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.760 10.194 0.182 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.712 11.657 0.026 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.368 10.126 2.646 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.728 9.910 1.562 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.240 11.756 1.381 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.214 13.029 2.606 1.00 1.00 H new ATOM 311 N LYS A 22 1.576 14.044 0.159 1.00 1.00 N ATOM 312 CA LYS A 22 1.765 15.471 -0.040 1.00 1.00 C ATOM 313 C LYS A 22 0.420 16.184 0.108 1.00 1.00 C ATOM 314 O LYS A 22 -0.508 15.649 0.713 1.00 1.00 O ATOM 315 CB LYS A 22 2.460 15.738 -1.376 1.00 1.00 C ATOM 316 CG LYS A 22 3.862 16.311 -1.160 1.00 1.00 C ATOM 317 CD LYS A 22 4.934 15.255 -1.440 1.00 1.00 C ATOM 318 CE LYS A 22 5.982 15.785 -2.421 1.00 1.00 C ATOM 319 NZ LYS A 22 7.338 15.357 -2.011 1.00 1.00 N ATOM 0 H LYS A 22 0.920 13.607 -0.488 1.00 1.00 H new ATOM 0 HA LYS A 22 2.428 15.878 0.724 1.00 1.00 H new ATOM 0 HB2 LYS A 22 2.526 14.812 -1.947 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.865 16.435 -1.966 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.013 17.170 -1.814 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.958 16.670 -0.135 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.417 14.966 -0.507 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.468 14.358 -1.849 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.767 15.419 -3.425 1.00 1.00 H new ATOM 0 HE3 LYS A 22 5.934 16.873 -2.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.037 15.725 -2.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 7.546 15.727 -1.062 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 7.384 14.318 -1.996 1.00 1.00 H new ATOM 332 N ALA A 23 0.356 17.382 -0.455 1.00 1.00 N ATOM 333 CA ALA A 23 -0.860 18.174 -0.394 1.00 1.00 C ATOM 334 C ALA A 23 -1.147 18.548 1.061 1.00 1.00 C ATOM 335 O ALA A 23 -2.233 19.031 1.380 1.00 1.00 O ATOM 336 CB ALA A 23 -2.010 17.394 -1.033 1.00 1.00 C ATOM 0 H ALA A 23 1.127 17.823 -0.956 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.743 19.101 -0.956 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.923 17.988 -0.987 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.769 17.178 -2.074 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -2.159 16.458 -0.494 1.00 1.00 H new ATOM 342 N VAL A 24 -0.155 18.311 1.907 1.00 1.00 N ATOM 343 CA VAL A 24 -0.287 18.617 3.321 1.00 1.00 C ATOM 344 C VAL A 24 0.879 19.507 3.757 1.00 1.00 C ATOM 345 O VAL A 24 2.033 19.296 3.392 1.00 1.00 O ATOM 346 CB VAL A 24 -0.385 17.322 4.129 1.00 1.00 C ATOM 347 CG1 VAL A 24 -1.164 17.544 5.428 1.00 1.00 C ATOM 348 CG2 VAL A 24 -1.013 16.202 3.297 1.00 1.00 C ATOM 0 H VAL A 24 0.744 17.910 1.640 1.00 1.00 H new ATOM 0 HA VAL A 24 -1.207 19.172 3.508 1.00 1.00 H new ATOM 0 HB VAL A 24 0.627 17.015 4.393 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.219 16.608 5.984 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.656 18.296 6.033 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.172 17.887 5.194 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.071 15.293 3.895 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -2.016 16.497 2.988 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.401 16.017 2.414 1.00 1.00 H new ATOM 354 N PRO A 25 0.545 20.522 4.558 1.00 1.00 N ATOM 355 CA PRO A 25 1.485 21.485 5.090 1.00 1.00 C ATOM 356 C PRO A 25 2.849 20.831 5.251 1.00 1.00 C ATOM 357 O PRO A 25 3.774 21.201 4.530 1.00 1.00 O ATOM 358 CB PRO A 25 0.907 21.888 6.445 1.00 1.00 C ATOM 359 CG PRO A 25 -0.645 21.855 6.098 1.00 1.00 C ATOM 360 CD PRO A 25 -0.803 20.800 5.006 1.00 1.00 C ATOM 0 HA PRO A 25 1.622 22.349 4.440 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.173 21.188 7.237 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.242 22.874 6.765 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -1.237 21.600 6.977 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -0.990 22.830 5.753 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -1.284 19.901 5.392 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -1.423 21.168 4.188 1.00 1.00 H new ATOM 368 N ASP A 26 2.951 19.889 6.177 1.00 1.00 N ATOM 369 CA ASP A 26 4.210 19.203 6.412 1.00 1.00 C ATOM 370 C ASP A 26 3.942 17.900 7.168 1.00 1.00 C ATOM 371 O ASP A 26 4.644 17.578 8.126 1.00 1.00 O ATOM 372 CB ASP A 26 5.152 20.057 7.262 1.00 1.00 C ATOM 373 CG ASP A 26 6.643 19.796 7.036 1.00 1.00 C ATOM 374 OD1 ASP A 26 7.030 19.066 6.111 1.00 1.00 O ATOM 375 OD2 ASP A 26 7.432 20.386 7.869 1.00 1.00 O ATOM 0 H ASP A 26 2.182 19.585 6.774 1.00 1.00 H new ATOM 0 HA ASP A 26 4.674 19.008 5.445 1.00 1.00 H new ATOM 0 HB2 ASP A 26 4.948 21.108 7.059 1.00 1.00 H new ATOM 0 HB3 ASP A 26 4.924 19.885 8.314 1.00 1.00 H new ATOM 381 N CYS A 27 2.925 17.185 6.710 1.00 1.00 N ATOM 382 CA CYS A 27 2.556 15.925 7.331 1.00 1.00 C ATOM 383 C CYS A 27 2.337 16.171 8.825 1.00 1.00 C ATOM 384 O CYS A 27 2.612 17.261 9.325 1.00 1.00 O ATOM 385 CB CYS A 27 3.606 14.841 7.079 1.00 1.00 C ATOM 386 SG CYS A 27 3.040 13.132 7.407 1.00 1.00 S ATOM 0 H CYS A 27 2.345 17.455 5.916 1.00 1.00 H new ATOM 0 HA CYS A 27 1.633 15.554 6.886 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.934 14.907 6.042 1.00 1.00 H new ATOM 0 HB3 CYS A 27 4.476 15.046 7.702 1.00 1.00 H new ATOM 391 N LYS A 28 1.845 15.140 9.497 1.00 1.00 N ATOM 392 CA LYS A 28 1.586 15.231 10.924 1.00 1.00 C ATOM 393 C LYS A 28 0.220 15.880 11.150 1.00 1.00 C ATOM 394 O LYS A 28 -0.061 16.382 12.237 1.00 1.00 O ATOM 395 CB LYS A 28 2.735 15.953 11.631 1.00 1.00 C ATOM 396 CG LYS A 28 4.090 15.443 11.138 1.00 1.00 C ATOM 397 CD LYS A 28 5.023 16.607 10.797 1.00 1.00 C ATOM 398 CE LYS A 28 5.956 16.922 11.968 1.00 1.00 C ATOM 399 NZ LYS A 28 6.567 18.259 11.799 1.00 1.00 N ATOM 0 H LYS A 28 1.619 14.237 9.079 1.00 1.00 H new ATOM 0 HA LYS A 28 1.543 14.236 11.368 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.660 17.026 11.453 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.656 15.803 12.708 1.00 1.00 H new ATOM 0 HG2 LYS A 28 4.548 14.818 11.904 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.948 14.816 10.258 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.612 16.359 9.914 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.434 17.490 10.549 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.399 16.886 12.904 1.00 1.00 H new ATOM 0 HE3 LYS A 28 6.737 16.164 12.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.197 18.457 12.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 7.115 18.281 10.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 5.819 18.980 11.760 1.00 1.00 H new ATOM 412 N LYS A 29 -0.594 15.851 10.104 1.00 1.00 N ATOM 413 CA LYS A 29 -1.925 16.430 10.175 1.00 1.00 C ATOM 414 C LYS A 29 -2.926 15.348 10.583 1.00 1.00 C ATOM 415 O LYS A 29 -3.777 15.577 11.443 1.00 1.00 O ATOM 416 CB LYS A 29 -2.276 17.128 8.860 1.00 1.00 C ATOM 417 CG LYS A 29 -3.562 17.945 8.999 1.00 1.00 C ATOM 418 CD LYS A 29 -3.913 18.643 7.683 1.00 1.00 C ATOM 419 CE LYS A 29 -3.398 20.084 7.673 1.00 1.00 C ATOM 420 NZ LYS A 29 -4.515 21.032 7.467 1.00 1.00 N ATOM 0 H LYS A 29 -0.357 15.436 9.203 1.00 1.00 H new ATOM 0 HA LYS A 29 -1.963 17.205 10.941 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.456 17.781 8.561 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.396 16.386 8.071 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.382 17.292 9.298 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.442 18.687 9.788 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.480 18.092 6.848 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -4.994 18.638 7.541 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.896 20.304 8.615 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.658 20.207 6.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -4.148 22.005 7.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.977 20.832 6.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -5.207 20.926 8.236 1.00 1.00 H new ATOM 433 N CYS A 30 -2.793 14.193 9.948 1.00 1.00 N ATOM 434 CA CYS A 30 -3.676 13.075 10.235 1.00 1.00 C ATOM 435 C CYS A 30 -3.082 12.280 11.399 1.00 1.00 C ATOM 436 O CYS A 30 -3.744 12.051 12.409 1.00 1.00 O ATOM 437 CB CYS A 30 -3.899 12.200 9.000 1.00 1.00 C ATOM 438 SG CYS A 30 -3.753 13.210 7.482 1.00 1.00 S ATOM 0 H CYS A 30 -2.087 14.007 9.236 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.660 13.448 10.517 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.168 11.392 8.980 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.885 11.737 9.045 1.00 1.00 H new ATOM 443 N HIS A 31 -1.824 11.874 11.221 1.00 1.00 N ATOM 444 CA HIS A 31 -1.092 11.104 12.220 1.00 1.00 C ATOM 445 C HIS A 31 -0.994 11.909 13.529 1.00 1.00 C ATOM 446 O HIS A 31 -1.230 11.367 14.607 1.00 1.00 O ATOM 447 CB HIS A 31 0.265 10.689 11.631 1.00 1.00 C ATOM 448 CG HIS A 31 0.246 9.601 10.582 1.00 1.00 C ATOM 449 ND1 HIS A 31 0.120 8.307 10.890 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.343 9.661 9.212 1.00 1.00 C ATOM 451 CE1 HIS A 31 0.137 7.588 9.757 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.272 8.375 8.691 1.00 1.00 N ATOM 0 H HIS A 31 -1.286 12.072 10.378 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.616 10.184 12.477 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.732 11.573 11.196 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.905 10.361 12.450 1.00 1.00 H new ATOM 0 HD1 HIS A 31 0.026 7.928 11.832 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.456 10.565 8.632 1.00 1.00 H new ATOM 0 HE1 HIS A 31 0.052 6.512 9.715 1.00 1.00 H new ATOM 460 N GLU A 32 -0.650 13.181 13.388 1.00 1.00 N ATOM 461 CA GLU A 32 -0.522 14.054 14.542 1.00 1.00 C ATOM 462 C GLU A 32 0.877 13.930 15.149 1.00 1.00 C ATOM 463 O GLU A 32 1.046 14.066 16.360 1.00 1.00 O ATOM 464 CB GLU A 32 -1.601 13.748 15.583 1.00 1.00 C ATOM 465 CG GLU A 32 -1.935 14.992 16.408 1.00 1.00 C ATOM 466 CD GLU A 32 -3.134 14.737 17.324 1.00 1.00 C ATOM 467 OE1 GLU A 32 -4.285 14.782 16.865 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.837 14.484 18.553 1.00 1.00 O ATOM 0 H GLU A 32 -0.456 13.628 12.492 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.663 15.083 14.212 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.500 13.386 15.084 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.259 12.951 16.243 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.070 15.279 17.006 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.153 15.827 15.742 1.00 1.00 H new ATOM 476 N LYS A 33 1.844 13.673 14.281 1.00 1.00 N ATOM 477 CA LYS A 33 3.222 13.528 14.717 1.00 1.00 C ATOM 478 C LYS A 33 3.435 12.115 15.263 1.00 1.00 C ATOM 479 O LYS A 33 3.379 11.898 16.472 1.00 1.00 O ATOM 480 CB LYS A 33 3.588 14.633 15.710 1.00 1.00 C ATOM 481 CG LYS A 33 5.006 15.150 15.458 1.00 1.00 C ATOM 482 CD LYS A 33 5.582 15.806 16.714 1.00 1.00 C ATOM 483 CE LYS A 33 7.089 15.566 16.817 1.00 1.00 C ATOM 484 NZ LYS A 33 7.773 16.774 17.332 1.00 1.00 N ATOM 0 H LYS A 33 1.700 13.561 13.277 1.00 1.00 H new ATOM 0 HA LYS A 33 3.903 13.649 13.874 1.00 1.00 H new ATOM 0 HB2 LYS A 33 2.877 15.455 15.623 1.00 1.00 H new ATOM 0 HB3 LYS A 33 3.512 14.252 16.728 1.00 1.00 H new ATOM 0 HG2 LYS A 33 5.648 14.325 15.147 1.00 1.00 H new ATOM 0 HG3 LYS A 33 4.994 15.870 14.640 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.382 16.877 16.693 1.00 1.00 H new ATOM 0 HD3 LYS A 33 5.085 15.406 17.598 1.00 1.00 H new ATOM 0 HE2 LYS A 33 7.284 14.721 17.477 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.489 15.304 15.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.795 16.594 17.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.602 17.572 16.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.403 17.007 18.276 1.00 1.00 H new ATOM 497 N GLY A 34 3.674 11.190 14.345 1.00 1.00 N ATOM 498 CA GLY A 34 3.895 9.804 14.719 1.00 1.00 C ATOM 499 C GLY A 34 3.142 8.856 13.783 1.00 1.00 C ATOM 500 O GLY A 34 1.918 8.880 13.677 1.00 1.00 O ATOM 0 H GLY A 34 3.719 11.374 13.343 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.961 9.581 14.687 1.00 1.00 H new ATOM 0 HA3 GLY A 34 3.566 9.644 15.746 1.00 1.00 H new ATOM 504 N PRO A 35 3.914 8.010 13.097 1.00 1.00 N ATOM 505 CA PRO A 35 3.414 7.029 12.158 1.00 1.00 C ATOM 506 C PRO A 35 2.756 5.885 12.917 1.00 1.00 C ATOM 507 O PRO A 35 2.400 6.071 14.080 1.00 1.00 O ATOM 508 CB PRO A 35 4.650 6.544 11.403 1.00 1.00 C ATOM 509 CG PRO A 35 5.758 6.698 12.430 1.00 1.00 C ATOM 510 CD PRO A 35 5.356 7.956 13.197 1.00 1.00 C ATOM 0 HA PRO A 35 2.664 7.435 11.480 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.543 5.510 11.076 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.839 7.142 10.512 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.821 5.830 13.086 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.733 6.811 11.956 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.678 7.904 14.237 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.815 8.845 12.765 1.00 1.00 H new ATOM 518 N GLY A 36 2.608 4.744 12.260 1.00 1.00 N ATOM 519 CA GLY A 36 1.990 3.591 12.893 1.00 1.00 C ATOM 520 C GLY A 36 0.465 3.656 12.781 1.00 1.00 C ATOM 521 O GLY A 36 -0.075 4.536 12.113 1.00 1.00 O ATOM 0 H GLY A 36 2.905 4.593 11.296 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.354 2.676 12.425 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.280 3.549 13.943 1.00 1.00 H new ATOM 525 N LYS A 37 -0.185 2.712 13.445 1.00 1.00 N ATOM 526 CA LYS A 37 -1.637 2.650 13.428 1.00 1.00 C ATOM 527 C LYS A 37 -2.204 3.914 14.078 1.00 1.00 C ATOM 528 O LYS A 37 -1.816 4.273 15.188 1.00 1.00 O ATOM 529 CB LYS A 37 -2.126 1.353 14.076 1.00 1.00 C ATOM 530 CG LYS A 37 -2.235 0.231 13.042 1.00 1.00 C ATOM 531 CD LYS A 37 -3.184 0.622 11.907 1.00 1.00 C ATOM 532 CE LYS A 37 -3.921 -0.603 11.362 1.00 1.00 C ATOM 533 NZ LYS A 37 -4.038 -0.525 9.889 1.00 1.00 N ATOM 0 H LYS A 37 0.267 1.984 13.998 1.00 1.00 H new ATOM 0 HA LYS A 37 -2.005 2.625 12.402 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.439 1.057 14.868 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -3.097 1.519 14.542 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.248 0.009 12.636 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -2.594 -0.679 13.524 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.906 1.354 12.268 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -2.620 1.098 11.105 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.387 -1.511 11.643 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -4.913 -0.666 11.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -4.320 -1.453 9.514 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -4.755 0.184 9.635 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -3.121 -0.251 9.482 1.00 1.00 H new ATOM 546 N ILE A 38 -3.114 4.554 13.358 1.00 1.00 N ATOM 547 CA ILE A 38 -3.739 5.770 13.851 1.00 1.00 C ATOM 548 C ILE A 38 -4.789 5.409 14.903 1.00 1.00 C ATOM 549 O ILE A 38 -5.939 5.129 14.567 1.00 1.00 O ATOM 550 CB ILE A 38 -4.292 6.597 12.688 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.168 7.328 11.952 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.382 7.557 13.168 1.00 1.00 C ATOM 553 CD1 ILE A 38 -3.546 7.588 10.492 1.00 1.00 C ATOM 0 H ILE A 38 -3.433 4.253 12.437 1.00 1.00 H new ATOM 0 HA ILE A 38 -3.002 6.405 14.342 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.754 5.916 11.974 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.957 8.274 12.451 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.255 6.735 11.995 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.758 8.133 12.322 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.199 6.988 13.611 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.967 8.236 13.913 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -2.729 8.109 9.992 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -3.732 6.639 9.990 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.446 8.202 10.453 1.00 1.00 H new ATOM 560 N GLU A 39 -4.356 5.426 16.155 1.00 1.00 N ATOM 561 CA GLU A 39 -5.245 5.104 17.258 1.00 1.00 C ATOM 562 C GLU A 39 -6.251 4.032 16.834 1.00 1.00 C ATOM 563 O GLU A 39 -5.904 3.104 16.105 1.00 1.00 O ATOM 564 CB GLU A 39 -5.961 6.356 17.769 1.00 1.00 C ATOM 565 CG GLU A 39 -6.303 6.225 19.255 1.00 1.00 C ATOM 566 CD GLU A 39 -5.416 7.137 20.104 1.00 1.00 C ATOM 567 OE1 GLU A 39 -4.198 6.916 20.187 1.00 1.00 O ATOM 568 OE2 GLU A 39 -6.033 8.105 20.691 1.00 1.00 O ATOM 0 H GLU A 39 -3.401 5.658 16.430 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.646 4.708 18.078 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.328 7.230 17.614 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.874 6.517 17.195 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -7.351 6.480 19.415 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -6.175 5.190 19.571 1.00 1.00 H new ATOM 576 N GLY A 40 -7.477 4.195 17.310 1.00 1.00 N ATOM 577 CA GLY A 40 -8.535 3.252 16.989 1.00 1.00 C ATOM 578 C GLY A 40 -9.415 3.781 15.854 1.00 1.00 C ATOM 579 O GLY A 40 -10.636 3.840 15.987 1.00 1.00 O ATOM 0 H GLY A 40 -7.761 4.965 17.915 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -8.099 2.295 16.701 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -9.146 3.070 17.873 1.00 1.00 H new ATOM 583 N PHE A 41 -8.759 4.152 14.764 1.00 1.00 N ATOM 584 CA PHE A 41 -9.467 4.674 13.607 1.00 1.00 C ATOM 585 C PHE A 41 -10.807 3.960 13.416 1.00 1.00 C ATOM 586 O PHE A 41 -10.850 2.839 12.912 1.00 1.00 O ATOM 587 CB PHE A 41 -8.583 4.410 12.387 1.00 1.00 C ATOM 588 CG PHE A 41 -9.216 4.830 11.058 1.00 1.00 C ATOM 589 CD1 PHE A 41 -9.039 6.094 10.590 1.00 1.00 C ATOM 590 CD2 PHE A 41 -9.955 3.938 10.345 1.00 1.00 C ATOM 591 CE1 PHE A 41 -9.626 6.483 9.357 1.00 1.00 C ATOM 592 CE2 PHE A 41 -10.542 4.327 9.113 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.366 5.592 8.644 1.00 1.00 C ATOM 0 H PHE A 41 -7.746 4.102 14.658 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.669 5.737 13.742 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.640 4.942 12.513 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.347 3.347 12.345 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -8.452 6.802 11.156 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -10.095 2.934 10.717 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -9.485 7.487 8.985 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -11.129 3.618 8.547 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.813 5.888 7.707 1.00 1.00 H new ATOM 603 N GLY A 42 -11.867 4.640 13.828 1.00 1.00 N ATOM 604 CA GLY A 42 -13.204 4.085 13.708 1.00 1.00 C ATOM 605 C GLY A 42 -13.874 4.543 12.411 1.00 1.00 C ATOM 606 O GLY A 42 -13.360 5.421 11.719 1.00 1.00 O ATOM 0 H GLY A 42 -11.827 5.570 14.245 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.153 2.996 13.730 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.807 4.393 14.562 1.00 1.00 H new ATOM 610 N LYS A 43 -15.011 3.928 12.120 1.00 1.00 N ATOM 611 CA LYS A 43 -15.756 4.262 10.919 1.00 1.00 C ATOM 612 C LYS A 43 -16.261 5.703 11.021 1.00 1.00 C ATOM 613 O LYS A 43 -16.399 6.389 10.009 1.00 1.00 O ATOM 614 CB LYS A 43 -16.866 3.237 10.674 1.00 1.00 C ATOM 615 CG LYS A 43 -16.317 1.990 9.978 1.00 1.00 C ATOM 616 CD LYS A 43 -15.190 1.357 10.796 1.00 1.00 C ATOM 617 CE LYS A 43 -13.826 1.903 10.366 1.00 1.00 C ATOM 618 NZ LYS A 43 -12.861 0.797 10.178 1.00 1.00 N ATOM 0 H LYS A 43 -15.434 3.200 12.696 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.109 4.212 10.043 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.323 2.957 11.623 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.650 3.684 10.062 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.119 1.266 9.836 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.948 2.255 8.987 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.348 1.557 11.856 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.208 0.274 10.670 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.929 2.465 9.438 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.451 2.596 11.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -11.928 1.188 9.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -12.788 0.246 11.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.187 0.179 9.408 1.00 1.00 H new ATOM 631 N GLU A 44 -16.524 6.119 12.251 1.00 1.00 N ATOM 632 CA GLU A 44 -17.010 7.465 12.498 1.00 1.00 C ATOM 633 C GLU A 44 -15.912 8.489 12.205 1.00 1.00 C ATOM 634 O GLU A 44 -16.180 9.548 11.641 1.00 1.00 O ATOM 635 CB GLU A 44 -17.524 7.608 13.932 1.00 1.00 C ATOM 636 CG GLU A 44 -16.384 7.953 14.892 1.00 1.00 C ATOM 637 CD GLU A 44 -15.458 6.752 15.098 1.00 1.00 C ATOM 638 OE1 GLU A 44 -14.234 6.880 14.946 1.00 1.00 O ATOM 639 OE2 GLU A 44 -16.053 5.656 15.429 1.00 1.00 O ATOM 0 H GLU A 44 -16.409 5.547 13.088 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.847 7.656 11.826 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.286 8.386 13.973 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -18.000 6.679 14.246 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.813 8.793 14.497 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.794 8.269 15.851 1.00 1.00 H new ATOM 647 N MET A 45 -14.698 8.136 12.602 1.00 1.00 N ATOM 648 CA MET A 45 -13.557 9.011 12.389 1.00 1.00 C ATOM 649 C MET A 45 -13.342 9.279 10.898 1.00 1.00 C ATOM 650 O MET A 45 -12.986 10.390 10.508 1.00 1.00 O ATOM 651 CB MET A 45 -12.302 8.366 12.979 1.00 1.00 C ATOM 652 CG MET A 45 -11.502 9.376 13.804 1.00 1.00 C ATOM 653 SD MET A 45 -11.844 9.153 15.541 1.00 1.00 S ATOM 654 CE MET A 45 -13.020 10.470 15.798 1.00 1.00 C ATOM 0 H MET A 45 -14.480 7.256 13.070 1.00 1.00 H new ATOM 0 HA MET A 45 -13.754 9.962 12.884 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.584 7.521 13.607 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.679 7.973 12.176 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.436 9.249 13.616 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.760 10.391 13.501 1.00 1.00 H new ATOM 0 HE1 MET A 45 -13.286 10.519 16.854 1.00 1.00 H new ATOM 0 HE2 MET A 45 -12.578 11.418 15.491 1.00 1.00 H new ATOM 0 HE3 MET A 45 -13.916 10.279 15.207 1.00 1.00 H new ATOM 664 N ALA A 46 -13.568 8.242 10.105 1.00 1.00 N ATOM 665 CA ALA A 46 -13.403 8.351 8.666 1.00 1.00 C ATOM 666 C ALA A 46 -14.181 9.567 8.158 1.00 1.00 C ATOM 667 O ALA A 46 -13.597 10.517 7.641 1.00 1.00 O ATOM 668 CB ALA A 46 -13.856 7.050 8.000 1.00 1.00 C ATOM 0 H ALA A 46 -13.864 7.322 10.432 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.354 8.500 8.411 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.732 7.132 6.920 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.254 6.222 8.373 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.905 6.869 8.232 1.00 1.00 H new ATOM 674 N HIS A 47 -15.502 9.501 8.325 1.00 1.00 N ATOM 675 CA HIS A 47 -16.407 10.565 7.905 1.00 1.00 C ATOM 676 C HIS A 47 -16.173 11.819 8.767 1.00 1.00 C ATOM 677 O HIS A 47 -16.690 12.890 8.454 1.00 1.00 O ATOM 678 CB HIS A 47 -17.848 10.034 7.940 1.00 1.00 C ATOM 679 CG HIS A 47 -18.103 8.714 7.248 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.880 7.764 7.776 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.655 8.219 6.047 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.914 6.716 6.937 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.174 6.945 5.853 1.00 1.00 N ATOM 0 H HIS A 47 -15.973 8.706 8.756 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.212 10.873 6.878 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.149 9.935 8.983 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.498 10.785 7.491 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -19.367 7.825 8.670 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.002 8.739 5.362 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.468 5.807 7.117 1.00 1.00 H new ATOM 691 N GLY A 48 -15.399 11.641 9.827 1.00 1.00 N ATOM 692 CA GLY A 48 -15.095 12.742 10.726 1.00 1.00 C ATOM 693 C GLY A 48 -14.052 13.678 10.113 1.00 1.00 C ATOM 694 O GLY A 48 -14.175 14.080 8.957 1.00 1.00 O ATOM 0 H GLY A 48 -14.973 10.751 10.084 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.006 13.300 10.945 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.725 12.351 11.674 1.00 1.00 H new ATOM 698 N LYS A 49 -13.047 13.998 10.915 1.00 1.00 N ATOM 699 CA LYS A 49 -11.982 14.879 10.467 1.00 1.00 C ATOM 700 C LYS A 49 -10.714 14.058 10.226 1.00 1.00 C ATOM 701 O LYS A 49 -9.635 14.426 10.688 1.00 1.00 O ATOM 702 CB LYS A 49 -11.790 16.033 11.453 1.00 1.00 C ATOM 703 CG LYS A 49 -12.714 17.205 11.113 1.00 1.00 C ATOM 704 CD LYS A 49 -13.024 18.038 12.358 1.00 1.00 C ATOM 705 CE LYS A 49 -12.946 19.534 12.050 1.00 1.00 C ATOM 706 NZ LYS A 49 -14.155 19.978 11.322 1.00 1.00 N ATOM 0 H LYS A 49 -12.948 13.663 11.873 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.247 15.343 9.517 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -11.993 15.687 12.467 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.752 16.365 11.431 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.245 17.835 10.357 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.642 16.828 10.683 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -14.019 17.790 12.727 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -12.319 17.789 13.151 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.846 20.097 12.978 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.058 19.742 11.453 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -14.085 20.996 11.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -14.234 19.453 10.428 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.997 19.797 11.905 1.00 1.00 H new ATOM 719 N GLY A 50 -10.886 12.961 9.504 1.00 1.00 N ATOM 720 CA GLY A 50 -9.768 12.085 9.197 1.00 1.00 C ATOM 721 C GLY A 50 -9.998 11.345 7.877 1.00 1.00 C ATOM 722 O GLY A 50 -9.582 10.198 7.724 1.00 1.00 O ATOM 0 H GLY A 50 -11.782 12.659 9.123 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.850 12.669 9.135 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.634 11.364 10.004 1.00 1.00 H new ATOM 726 N CYS A 51 -10.659 12.033 6.957 1.00 1.00 N ATOM 727 CA CYS A 51 -10.948 11.456 5.656 1.00 1.00 C ATOM 728 C CYS A 51 -11.764 12.470 4.852 1.00 1.00 C ATOM 729 O CYS A 51 -11.258 13.066 3.902 1.00 1.00 O ATOM 730 CB CYS A 51 -11.671 10.113 5.781 1.00 1.00 C ATOM 731 SG CYS A 51 -11.179 8.859 4.542 1.00 1.00 S ATOM 0 H CYS A 51 -11.002 12.985 7.087 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.015 11.245 5.133 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.489 9.710 6.777 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.744 10.285 5.697 1.00 1.00 H new ATOM 736 N LYS A 52 -13.014 12.635 5.261 1.00 1.00 N ATOM 737 CA LYS A 52 -13.904 13.566 4.591 1.00 1.00 C ATOM 738 C LYS A 52 -13.745 14.955 5.214 1.00 1.00 C ATOM 739 O LYS A 52 -13.467 15.926 4.511 1.00 1.00 O ATOM 740 CB LYS A 52 -15.342 13.043 4.613 1.00 1.00 C ATOM 741 CG LYS A 52 -16.274 13.969 3.829 1.00 1.00 C ATOM 742 CD LYS A 52 -17.596 13.270 3.504 1.00 1.00 C ATOM 743 CE LYS A 52 -18.684 13.660 4.506 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.737 14.460 3.843 1.00 1.00 N ATOM 0 H LYS A 52 -13.431 12.139 6.049 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.638 13.656 3.538 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.375 12.041 4.185 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.687 12.961 5.644 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -16.469 14.871 4.409 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -15.788 14.283 2.905 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.913 13.536 2.496 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.453 12.189 3.519 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -19.122 12.763 4.943 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.245 14.232 5.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.467 14.716 4.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.318 15.325 3.446 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -20.167 13.902 3.078 1.00 1.00 H new ATOM 757 N GLY A 53 -13.930 15.005 6.525 1.00 1.00 N ATOM 758 CA GLY A 53 -13.810 16.258 7.250 1.00 1.00 C ATOM 759 C GLY A 53 -12.728 17.147 6.634 1.00 1.00 C ATOM 760 O GLY A 53 -12.927 18.350 6.467 1.00 1.00 O ATOM 0 H GLY A 53 -14.162 14.198 7.104 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.766 16.782 7.239 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.569 16.057 8.294 1.00 1.00 H new ATOM 764 N CYS A 54 -11.605 16.521 6.313 1.00 1.00 N ATOM 765 CA CYS A 54 -10.491 17.240 5.720 1.00 1.00 C ATOM 766 C CYS A 54 -11.005 17.994 4.492 1.00 1.00 C ATOM 767 O CYS A 54 -11.167 19.212 4.522 1.00 1.00 O ATOM 768 CB CYS A 54 -9.334 16.302 5.370 1.00 1.00 C ATOM 769 SG CYS A 54 -7.780 16.919 6.115 1.00 1.00 S ATOM 0 H CYS A 54 -11.443 15.524 6.453 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.090 17.952 6.441 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.547 15.297 5.734 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.226 16.233 4.288 1.00 1.00 H new ATOM 774 N HIS A 55 -11.251 17.233 3.425 1.00 1.00 N ATOM 775 CA HIS A 55 -11.747 17.773 2.164 1.00 1.00 C ATOM 776 C HIS A 55 -12.813 18.849 2.441 1.00 1.00 C ATOM 777 O HIS A 55 -12.767 19.930 1.857 1.00 1.00 O ATOM 778 CB HIS A 55 -12.233 16.613 1.283 1.00 1.00 C ATOM 779 CG HIS A 55 -11.347 15.391 1.218 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.766 14.177 1.588 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.043 15.238 0.810 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.763 13.302 1.418 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.675 13.904 0.940 1.00 1.00 N ATOM 0 H HIS A 55 -11.111 16.223 3.413 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.957 18.277 1.608 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.215 16.303 1.641 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.368 16.990 0.269 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.696 13.952 1.942 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.405 16.030 0.446 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.829 12.247 1.640 1.00 1.00 H new ATOM 791 N GLU A 56 -13.739 18.513 3.327 1.00 1.00 N ATOM 792 CA GLU A 56 -14.804 19.436 3.682 1.00 1.00 C ATOM 793 C GLU A 56 -14.225 20.814 4.008 1.00 1.00 C ATOM 794 O GLU A 56 -14.855 21.835 3.738 1.00 1.00 O ATOM 795 CB GLU A 56 -15.629 18.897 4.853 1.00 1.00 C ATOM 796 CG GLU A 56 -16.433 20.015 5.518 1.00 1.00 C ATOM 797 CD GLU A 56 -17.178 19.497 6.750 1.00 1.00 C ATOM 798 OE1 GLU A 56 -16.639 18.667 7.497 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.359 19.988 6.919 1.00 1.00 O ATOM 0 H GLU A 56 -13.774 17.615 3.809 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.471 19.537 2.826 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.305 18.119 4.498 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -14.968 18.434 5.586 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -15.764 20.826 5.807 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.146 20.429 4.805 1.00 1.00 H new ATOM 807 N GLU A 57 -13.033 20.799 4.585 1.00 1.00 N ATOM 808 CA GLU A 57 -12.362 22.035 4.950 1.00 1.00 C ATOM 809 C GLU A 57 -11.269 22.366 3.933 1.00 1.00 C ATOM 810 O GLU A 57 -11.140 23.513 3.506 1.00 1.00 O ATOM 811 CB GLU A 57 -11.786 21.949 6.365 1.00 1.00 C ATOM 812 CG GLU A 57 -11.991 23.263 7.121 1.00 1.00 C ATOM 813 CD GLU A 57 -10.754 23.618 7.949 1.00 1.00 C ATOM 814 OE1 GLU A 57 -10.803 23.572 9.187 1.00 1.00 O ATOM 815 OE2 GLU A 57 -9.714 23.949 7.261 1.00 1.00 O ATOM 0 H GLU A 57 -12.514 19.950 4.809 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.096 22.841 4.940 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.265 21.134 6.908 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.722 21.716 6.315 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -12.202 24.065 6.413 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.859 23.179 7.775 1.00 1.00 H new ATOM 823 N MET A 58 -10.509 21.342 3.574 1.00 1.00 N ATOM 824 CA MET A 58 -9.430 21.510 2.614 1.00 1.00 C ATOM 825 C MET A 58 -9.950 22.103 1.303 1.00 1.00 C ATOM 826 O MET A 58 -9.177 22.637 0.509 1.00 1.00 O ATOM 827 CB MET A 58 -8.776 20.155 2.338 1.00 1.00 C ATOM 828 CG MET A 58 -7.253 20.285 2.268 1.00 1.00 C ATOM 829 SD MET A 58 -6.536 19.933 3.864 1.00 1.00 S ATOM 830 CE MET A 58 -4.927 20.677 3.652 1.00 1.00 C ATOM 0 H MET A 58 -10.619 20.393 3.930 1.00 1.00 H new ATOM 0 HA MET A 58 -8.697 22.197 3.036 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.049 19.449 3.123 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.153 19.750 1.399 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.855 19.597 1.522 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.980 21.292 1.952 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.312 20.471 4.528 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.447 20.261 2.766 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.037 21.755 3.532 1.00 1.00 H new ATOM 840 N LYS A 59 -11.257 21.990 1.117 1.00 1.00 N ATOM 841 CA LYS A 59 -11.890 22.507 -0.084 1.00 1.00 C ATOM 842 C LYS A 59 -11.344 21.763 -1.304 1.00 1.00 C ATOM 843 O LYS A 59 -11.555 22.186 -2.440 1.00 1.00 O ATOM 844 CB LYS A 59 -11.723 24.026 -0.166 1.00 1.00 C ATOM 845 CG LYS A 59 -12.961 24.744 0.375 1.00 1.00 C ATOM 846 CD LYS A 59 -12.823 26.261 0.231 1.00 1.00 C ATOM 847 CE LYS A 59 -11.873 26.827 1.289 1.00 1.00 C ATOM 848 NZ LYS A 59 -12.552 27.872 2.088 1.00 1.00 N ATOM 0 H LYS A 59 -11.895 21.548 1.779 1.00 1.00 H new ATOM 0 HA LYS A 59 -12.965 22.328 -0.055 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -10.844 24.330 0.403 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.550 24.321 -1.201 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -13.847 24.403 -0.162 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.105 24.487 1.424 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -12.451 26.503 -0.764 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -13.802 26.730 0.328 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -11.529 26.026 1.944 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -10.990 27.246 0.807 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -11.894 28.246 2.801 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -12.859 28.644 1.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -13.381 27.462 2.563 1.00 1.00 H new ATOM 861 N LYS A 60 -10.653 20.666 -1.028 1.00 1.00 N ATOM 862 CA LYS A 60 -10.076 19.859 -2.089 1.00 1.00 C ATOM 863 C LYS A 60 -10.336 18.379 -1.797 1.00 1.00 C ATOM 864 O LYS A 60 -10.094 17.910 -0.687 1.00 1.00 O ATOM 865 CB LYS A 60 -8.596 20.198 -2.276 1.00 1.00 C ATOM 866 CG LYS A 60 -7.881 20.293 -0.926 1.00 1.00 C ATOM 867 CD LYS A 60 -6.636 21.176 -1.026 1.00 1.00 C ATOM 868 CE LYS A 60 -5.479 20.421 -1.685 1.00 1.00 C ATOM 869 NZ LYS A 60 -4.854 21.249 -2.740 1.00 1.00 N ATOM 0 H LYS A 60 -10.480 20.318 -0.085 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.554 20.085 -3.042 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.119 19.435 -2.891 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.500 21.144 -2.810 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.561 20.701 -0.178 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.598 19.296 -0.589 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.866 22.071 -1.603 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.339 21.506 -0.031 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.735 20.156 -0.934 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.844 19.488 -2.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -4.071 20.722 -3.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.563 21.480 -3.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.488 22.128 -2.321 1.00 1.00 H new ATOM 882 N GLY A 61 -10.826 17.686 -2.814 1.00 1.00 N ATOM 883 CA GLY A 61 -11.122 16.270 -2.681 1.00 1.00 C ATOM 884 C GLY A 61 -12.614 15.999 -2.883 1.00 1.00 C ATOM 885 O GLY A 61 -13.442 16.907 -2.927 1.00 1.00 O ATOM 0 H GLY A 61 -11.026 18.079 -3.734 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.544 15.704 -3.412 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.816 15.922 -1.694 1.00 1.00 H new ATOM 889 N PRO A 62 -12.943 14.711 -3.007 1.00 1.00 N ATOM 890 CA PRO A 62 -14.293 14.229 -3.204 1.00 1.00 C ATOM 891 C PRO A 62 -14.921 13.905 -1.856 1.00 1.00 C ATOM 892 O PRO A 62 -14.204 13.468 -0.957 1.00 1.00 O ATOM 893 CB PRO A 62 -14.139 12.969 -4.054 1.00 1.00 C ATOM 894 CG PRO A 62 -12.750 12.418 -3.529 1.00 1.00 C ATOM 895 CD PRO A 62 -11.995 13.619 -2.961 1.00 1.00 C ATOM 0 HA PRO A 62 -14.939 14.962 -3.688 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.951 12.261 -3.892 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.118 13.191 -5.121 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.899 11.656 -2.764 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -12.187 11.952 -4.338 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.661 13.429 -1.941 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -11.106 13.842 -3.551 1.00 1.00 H new ATOM 903 N THR A 63 -16.223 14.121 -1.740 1.00 1.00 N ATOM 904 CA THR A 63 -16.919 13.845 -0.495 1.00 1.00 C ATOM 905 C THR A 63 -18.000 12.785 -0.711 1.00 1.00 C ATOM 906 O THR A 63 -18.540 12.238 0.250 1.00 1.00 O ATOM 907 CB THR A 63 -17.466 15.169 0.044 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.263 15.675 -1.023 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.372 16.224 0.225 1.00 1.00 C ATOM 0 H THR A 63 -16.814 14.484 -2.488 1.00 1.00 H new ATOM 0 HA THR A 63 -16.243 13.427 0.251 1.00 1.00 H new ATOM 0 HB THR A 63 -17.964 14.995 0.998 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.658 16.532 -0.758 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.813 17.144 0.609 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.626 15.857 0.930 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.896 16.424 -0.735 1.00 1.00 H new ATOM 915 N LYS A 64 -18.283 12.525 -1.979 1.00 1.00 N ATOM 916 CA LYS A 64 -19.290 11.539 -2.334 1.00 1.00 C ATOM 917 C LYS A 64 -18.817 10.152 -1.893 1.00 1.00 C ATOM 918 O LYS A 64 -17.619 9.920 -1.740 1.00 1.00 O ATOM 919 CB LYS A 64 -19.626 11.628 -3.824 1.00 1.00 C ATOM 920 CG LYS A 64 -20.423 12.898 -4.131 1.00 1.00 C ATOM 921 CD LYS A 64 -19.843 13.631 -5.342 1.00 1.00 C ATOM 922 CE LYS A 64 -20.028 15.143 -5.207 1.00 1.00 C ATOM 923 NZ LYS A 64 -21.438 15.517 -5.456 1.00 1.00 N ATOM 0 H LYS A 64 -17.833 12.980 -2.773 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.223 11.741 -1.808 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.706 11.621 -4.409 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.201 10.752 -4.124 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -21.465 12.640 -4.322 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.412 13.557 -3.263 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -18.783 13.398 -5.439 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -20.331 13.281 -6.252 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -19.731 15.464 -4.208 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -19.378 15.659 -5.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -21.546 16.547 -5.360 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -21.709 15.228 -6.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -22.051 15.039 -4.765 1.00 1.00 H new ATOM 936 N CYS A 65 -19.784 9.267 -1.700 1.00 1.00 N ATOM 937 CA CYS A 65 -19.482 7.909 -1.279 1.00 1.00 C ATOM 938 C CYS A 65 -18.812 7.182 -2.446 1.00 1.00 C ATOM 939 O CYS A 65 -17.677 6.723 -2.328 1.00 1.00 O ATOM 940 CB CYS A 65 -20.733 7.176 -0.793 1.00 1.00 C ATOM 941 SG CYS A 65 -22.108 8.266 -0.272 1.00 1.00 S ATOM 0 H CYS A 65 -20.777 9.464 -1.827 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.801 7.933 -0.428 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.088 6.524 -1.591 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.459 6.535 0.045 1.00 1.00 H new ATOM 946 N GLY A 66 -19.543 7.099 -3.548 1.00 1.00 N ATOM 947 CA GLY A 66 -19.034 6.436 -4.736 1.00 1.00 C ATOM 948 C GLY A 66 -17.590 6.856 -5.023 1.00 1.00 C ATOM 949 O GLY A 66 -16.852 6.136 -5.694 1.00 1.00 O ATOM 0 H GLY A 66 -20.484 7.480 -3.643 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.082 5.355 -4.603 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.664 6.680 -5.591 1.00 1.00 H new ATOM 953 N GLU A 67 -17.231 8.019 -4.499 1.00 1.00 N ATOM 954 CA GLU A 67 -15.890 8.543 -4.690 1.00 1.00 C ATOM 955 C GLU A 67 -14.899 7.811 -3.782 1.00 1.00 C ATOM 956 O GLU A 67 -13.779 7.512 -4.193 1.00 1.00 O ATOM 957 CB GLU A 67 -15.850 10.052 -4.441 1.00 1.00 C ATOM 958 CG GLU A 67 -16.700 10.800 -5.470 1.00 1.00 C ATOM 959 CD GLU A 67 -16.014 10.818 -6.838 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.811 10.536 -6.932 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.778 11.140 -7.826 1.00 1.00 O ATOM 0 H GLU A 67 -17.846 8.613 -3.942 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.599 8.371 -5.726 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.214 10.268 -3.437 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.820 10.405 -4.489 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.677 10.324 -5.555 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.872 11.822 -5.132 1.00 1.00 H new ATOM 969 N CYS A 68 -15.348 7.544 -2.565 1.00 1.00 N ATOM 970 CA CYS A 68 -14.515 6.853 -1.595 1.00 1.00 C ATOM 971 C CYS A 68 -14.807 5.354 -1.694 1.00 1.00 C ATOM 972 O CYS A 68 -13.897 4.545 -1.867 1.00 1.00 O ATOM 973 CB CYS A 68 -14.736 7.385 -0.178 1.00 1.00 C ATOM 974 SG CYS A 68 -13.569 8.752 0.166 1.00 1.00 S ATOM 0 H CYS A 68 -16.278 7.793 -2.228 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.464 7.034 -1.820 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.762 7.736 -0.068 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.594 6.583 0.547 1.00 1.00 H new ATOM 979 N HIS A 69 -16.093 5.021 -1.578 1.00 1.00 N ATOM 980 CA HIS A 69 -16.563 3.642 -1.646 1.00 1.00 C ATOM 981 C HIS A 69 -16.766 3.233 -3.117 1.00 1.00 C ATOM 982 O HIS A 69 -17.374 3.975 -3.886 1.00 1.00 O ATOM 983 CB HIS A 69 -17.818 3.501 -0.772 1.00 1.00 C ATOM 984 CG HIS A 69 -17.649 3.762 0.707 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.059 2.889 1.529 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.014 4.834 1.486 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.058 3.397 2.772 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.635 4.597 2.801 1.00 1.00 N ATOM 0 H HIS A 69 -16.837 5.703 -1.434 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.824 2.948 -1.246 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.577 4.184 -1.153 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.208 2.491 -0.897 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.673 1.985 1.257 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.517 5.722 1.131 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.643 2.898 3.635 1.00 1.00 H new ATOM 996 N LYS A 70 -16.249 2.061 -3.456 1.00 1.00 N ATOM 997 CA LYS A 70 -16.369 1.554 -4.812 1.00 1.00 C ATOM 998 C LYS A 70 -16.386 0.024 -4.780 1.00 1.00 C ATOM 999 O LYS A 70 -15.776 -0.589 -3.906 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.271 2.139 -5.702 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.464 1.716 -7.160 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.408 0.691 -7.578 1.00 1.00 C ATOM 1003 CE LYS A 70 -14.163 0.740 -9.087 1.00 1.00 C ATOM 1004 NZ LYS A 70 -14.810 -0.410 -9.755 1.00 1.00 N ATOM 0 H LYS A 70 -15.746 1.448 -2.815 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.311 1.874 -5.257 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.281 3.227 -5.631 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.295 1.805 -5.349 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.459 1.292 -7.291 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -15.403 2.591 -7.807 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -13.476 0.887 -7.048 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.733 -0.309 -7.291 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.554 1.672 -9.495 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -13.092 0.729 -9.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -15.280 -0.087 -10.625 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -14.091 -1.122 -9.994 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -15.515 -0.831 -9.117 1.00 1.00 H new ATOM 1017 N LYS A 71 -17.092 -0.548 -5.745 1.00 1.00 N ATOM 1018 CA LYS A 71 -17.197 -1.994 -5.838 1.00 1.00 C ATOM 1019 C LYS A 71 -16.498 -2.470 -7.114 1.00 1.00 C ATOM 1020 O LYS A 71 -16.760 -1.953 -8.199 1.00 1.00 O ATOM 1021 CB LYS A 71 -18.659 -2.433 -5.737 1.00 1.00 C ATOM 1022 CG LYS A 71 -18.804 -3.647 -4.818 1.00 1.00 C ATOM 1023 CD LYS A 71 -19.587 -4.767 -5.507 1.00 1.00 C ATOM 1024 CE LYS A 71 -18.703 -5.520 -6.504 1.00 1.00 C ATOM 1025 NZ LYS A 71 -19.404 -6.720 -7.013 1.00 1.00 N ATOM 0 H LYS A 71 -17.597 -0.036 -6.469 1.00 1.00 H new ATOM 0 HA LYS A 71 -16.688 -2.468 -4.999 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -19.264 -1.610 -5.357 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -19.039 -2.676 -6.729 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -17.817 -4.011 -4.532 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -19.314 -3.354 -3.900 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -19.971 -5.461 -4.759 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -20.450 -4.347 -6.025 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -18.441 -4.865 -7.335 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -17.770 -5.813 -6.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -18.791 -7.220 -7.688 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -19.632 -7.352 -6.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -20.282 -6.433 -7.490 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 0.359 7.858 6.759 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -0.703 4.628 7.469 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.602 6.903 7.365 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.415 11.035 5.996 1.00 1.00 C HETATM 1043 CHD HEC A 101 -2.962 8.851 6.586 1.00 1.00 C HETATM 1044 NA HEC A 101 1.249 6.129 7.324 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.661 4.893 7.530 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.669 3.901 7.821 1.00 1.00 C HETATM 1047 C3A HEC A 101 2.864 4.529 7.793 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.607 5.916 7.484 1.00 1.00 C HETATM 1049 CMA HEC A 101 4.223 3.939 8.032 1.00 1.00 C HETATM 1050 CAA HEC A 101 1.393 2.452 8.098 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.931 1.503 7.031 1.00 1.00 C HETATM 1052 CGA HEC A 101 1.875 2.141 5.651 1.00 1.00 C HETATM 1053 O1A HEC A 101 0.824 2.747 5.349 1.00 1.00 O HETATM 1054 O2A HEC A 101 2.883 2.012 4.924 1.00 1.00 O HETATM 1055 NB HEC A 101 2.149 8.751 6.614 1.00 1.00 N HETATM 1056 C1B HEC A 101 3.356 8.238 7.057 1.00 1.00 C HETATM 1057 C2B HEC A 101 4.341 9.289 7.158 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.737 10.435 6.780 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.373 10.105 6.440 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.760 9.096 7.607 1.00 1.00 C HETATM 1061 CAB HEC A 101 4.331 11.812 6.709 1.00 1.00 C HETATM 1062 CBB HEC A 101 5.517 12.026 7.646 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.608 9.569 6.297 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.018 10.805 6.096 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.025 11.839 6.057 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.220 11.238 6.233 1.00 1.00 C HETATM 1067 C4C HEC A 101 -1.966 9.824 6.383 1.00 1.00 C HETATM 1068 CMC HEC A 101 -0.746 13.301 5.856 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.579 11.875 6.272 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.005 12.508 4.951 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.458 6.939 6.998 1.00 1.00 N HETATM 1072 C1D HEC A 101 -2.711 7.510 6.854 1.00 1.00 C HETATM 1073 C2D HEC A 101 -3.739 6.510 7.022 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.116 5.338 7.266 1.00 1.00 C HETATM 1075 C4D HEC A 101 -1.696 5.600 7.253 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.214 6.771 6.931 1.00 1.00 C HETATM 1077 CAD HEC A 101 -3.739 3.994 7.511 1.00 1.00 C HETATM 1078 CBD HEC A 101 -4.021 3.700 8.982 1.00 1.00 C HETATM 1079 CGD HEC A 101 -4.795 2.399 9.142 1.00 1.00 C HETATM 1080 O1D HEC A 101 -5.396 1.969 8.134 1.00 1.00 O HETATM 1081 O2D HEC A 101 -4.771 1.859 10.269 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.502 7.501 7.687 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.454 7.160 5.941 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -5.759 5.842 7.098 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.100 13.662 6.657 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.251 13.448 4.896 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -1.684 13.856 5.869 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.770 8.697 8.621 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 6.262 8.397 6.937 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 6.281 10.053 7.589 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 4.264 3.515 9.035 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 4.413 3.155 7.299 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 4.980 4.717 7.935 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -3.081 3.637 9.530 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -4.590 4.521 9.418 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -3.293 13.286 4.674 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.030 11.745 4.173 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -4.997 12.946 5.061 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 5.200 11.866 8.677 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 6.310 11.321 7.396 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 5.889 13.045 7.535 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 2.960 1.231 7.268 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 1.349 0.581 7.033 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -4.673 3.931 6.953 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -3.079 3.221 7.117 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 1.831 2.187 9.060 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 0.316 2.308 8.188 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.002 9.171 6.529 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.762 11.970 5.557 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.637 6.602 7.525 1.00 1.00 H new HETATM 0 HHA HEC A 101 -1.025 3.595 7.598 1.00 1.00 H new HETATM 0 H2D HEC A 101 -5.147 2.473 10.934 1.00 1.00 H new HETATM 0 H2A HEC A 101 2.652 2.242 4.000 1.00 1.00 H new HETATM 1082 FE HEC A 102 -7.895 13.103 0.496 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -7.930 14.367 -2.649 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.607 10.242 -0.674 1.00 1.00 C HETATM 1085 CHC HEC A 102 -8.007 11.681 3.695 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.495 15.925 1.737 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.649 12.446 -1.279 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.502 13.109 -2.484 1.00 1.00 C HETATM 1089 C2A HEC A 102 -9.028 12.309 -3.565 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.493 11.165 -3.020 1.00 1.00 C HETATM 1091 C4A HEC A 102 -9.260 11.246 -1.598 1.00 1.00 C HETATM 1092 CMA HEC A 102 -10.138 10.004 -3.721 1.00 1.00 C HETATM 1093 CAA HEC A 102 -9.035 12.715 -5.010 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.800 12.266 -5.786 1.00 1.00 C HETATM 1095 CGA HEC A 102 -7.773 10.753 -5.946 1.00 1.00 C HETATM 1096 O1A HEC A 102 -6.800 10.147 -5.447 1.00 1.00 O HETATM 1097 O2A HEC A 102 -8.726 10.231 -6.564 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.663 11.321 1.334 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.312 10.285 0.684 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.648 9.239 1.621 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.206 9.634 2.833 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.592 10.930 2.659 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.358 7.965 1.267 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.310 8.902 4.139 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.621 7.540 4.144 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.223 13.644 2.376 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.514 13.056 3.594 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.341 14.009 4.665 1.00 1.00 C HETATM 1109 C3C HEC A 102 -6.947 15.171 4.102 1.00 1.00 C HETATM 1110 C4C HEC A 102 -6.872 14.949 2.678 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.568 13.717 6.120 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.635 16.470 4.787 1.00 1.00 C HETATM 1113 CBC HEC A 102 -5.261 16.509 5.449 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.428 14.831 -0.268 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.676 15.807 0.363 1.00 1.00 C HETATM 1116 C2D HEC A 102 -6.096 16.700 -0.612 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.492 16.271 -1.829 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.321 15.108 -1.620 1.00 1.00 C HETATM 1119 CMD HEC A 102 -5.220 17.875 -0.286 1.00 1.00 C HETATM 1120 CAD HEC A 102 -6.158 16.858 -3.169 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.339 15.934 -4.065 1.00 1.00 C HETATM 1122 CGD HEC A 102 -5.076 16.576 -5.420 1.00 1.00 C HETATM 1123 O1D HEC A 102 -4.995 15.810 -6.405 1.00 1.00 O HETATM 1124 O2D HEC A 102 -4.962 17.821 -5.447 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -5.769 18.575 0.344 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.331 17.531 0.243 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -4.922 18.374 -1.208 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.603 13.411 6.272 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -6.902 12.915 6.438 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.364 14.613 6.707 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.337 8.198 0.848 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.771 7.413 0.533 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.483 7.357 2.163 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -11.040 10.342 -4.231 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.443 9.588 -4.451 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.399 9.238 -2.991 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -4.391 15.699 -3.581 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -5.869 14.992 -4.202 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -5.198 15.725 6.204 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -4.489 16.350 4.696 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.112 17.480 5.921 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.069 6.903 3.382 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.560 7.668 3.931 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -8.741 7.075 5.122 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -7.792 12.739 -6.768 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -6.900 12.596 -5.266 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -7.084 17.117 -3.682 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -5.606 17.786 -3.020 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.923 12.302 -5.489 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.116 13.800 -5.072 1.00 1.00 H new HETATM 0 HHD HEC A 102 -6.029 16.837 2.111 1.00 1.00 H new HETATM 0 HHC HEC A 102 -7.912 11.193 4.665 1.00 1.00 H new HETATM 0 HHB HEC A 102 -10.144 9.371 -1.049 1.00 1.00 H new HETATM 0 HHA HEC A 102 -7.956 14.809 -3.645 1.00 1.00 H new HETATM 0 H2D HEC A 102 -4.565 18.095 -6.300 1.00 1.00 H new HETATM 0 H2A HEC A 102 -8.491 9.313 -6.813 1.00 1.00 H new HETATM 1125 FE HEC A 103 -17.912 5.813 4.367 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -16.906 3.302 6.449 1.00 1.00 C HETATM 1127 CHB HEC A 103 -21.202 4.786 4.699 1.00 1.00 C HETATM 1128 CHC HEC A 103 -18.957 8.233 2.090 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.642 6.698 3.790 1.00 1.00 C HETATM 1130 NA HEC A 103 -18.850 4.319 5.321 1.00 1.00 N HETATM 1131 C1A HEC A 103 -18.271 3.439 6.219 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.289 2.670 6.894 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.481 3.079 6.411 1.00 1.00 C HETATM 1134 C4A HEC A 103 -20.213 4.105 5.432 1.00 1.00 C HETATM 1135 CMA HEC A 103 -21.849 2.589 6.790 1.00 1.00 C HETATM 1136 CAA HEC A 103 -19.024 1.620 7.934 1.00 1.00 C HETATM 1137 CBA HEC A 103 -18.078 0.515 7.474 1.00 1.00 C HETATM 1138 CGA HEC A 103 -18.653 -0.861 7.778 1.00 1.00 C HETATM 1139 O1A HEC A 103 -19.463 -1.333 6.951 1.00 1.00 O HETATM 1140 O2A HEC A 103 -18.272 -1.415 8.832 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.705 6.369 3.540 1.00 1.00 N HETATM 1142 C1B HEC A 103 -20.955 5.859 3.848 1.00 1.00 C HETATM 1143 C2B HEC A 103 -21.983 6.601 3.157 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.364 7.557 2.433 1.00 1.00 C HETATM 1145 C4B HEC A 103 -19.946 7.417 2.668 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.455 6.324 3.256 1.00 1.00 C HETATM 1147 CAB HEC A 103 -21.988 8.590 1.540 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.273 9.197 2.098 1.00 1.00 C HETATM 1149 NC HEC A 103 -17.001 7.303 3.334 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.587 8.286 2.556 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.572 9.084 1.909 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.375 8.589 2.290 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.637 7.481 3.177 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.844 10.240 0.990 1.00 1.00 C HETATM 1155 CAC HEC A 103 -14.009 9.068 1.893 1.00 1.00 C HETATM 1156 CBC HEC A 103 -13.804 10.571 2.062 1.00 1.00 C HETATM 1157 ND HEC A 103 -16.148 5.154 4.988 1.00 1.00 N HETATM 1158 C1D HEC A 103 -14.894 5.626 4.641 1.00 1.00 C HETATM 1159 C2D HEC A 103 -13.867 4.845 5.289 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.492 3.903 6.027 1.00 1.00 C HETATM 1161 C4D HEC A 103 -15.911 4.091 5.843 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.392 5.075 5.140 1.00 1.00 C HETATM 1163 CAD HEC A 103 -13.870 2.842 6.889 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.312 1.656 6.108 1.00 1.00 C HETATM 1165 CGD HEC A 103 -12.353 0.840 6.963 1.00 1.00 C HETATM 1166 O1D HEC A 103 -12.697 -0.328 7.244 1.00 1.00 O HETATM 1167 O2D HEC A 103 -11.294 1.400 7.319 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -12.111 4.969 4.092 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -12.144 6.080 5.482 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -11.848 4.343 5.737 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.422 9.895 0.133 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.408 11.005 1.524 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -15.899 10.660 0.645 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.658 5.309 2.914 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.776 6.429 4.292 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -24.001 7.033 2.633 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -21.925 1.522 6.579 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -22.016 2.762 7.853 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.601 3.127 6.213 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -14.131 1.022 5.769 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -12.796 2.014 5.217 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.524 11.108 1.445 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -13.948 10.843 3.108 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.793 10.837 1.754 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -24.013 8.410 2.246 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -23.063 9.681 3.052 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.662 9.934 1.395 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -17.898 0.609 6.403 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -17.114 0.627 7.970 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -13.066 3.289 7.474 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.616 2.480 7.596 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.605 2.098 8.819 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -19.972 1.172 8.233 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.601 6.948 3.584 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.237 8.861 1.244 1.00 1.00 H new HETATM 0 HHB HEC A 103 -22.233 4.450 4.805 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.585 2.529 7.148 1.00 1.00 H new HETATM 0 H2D HEC A 103 -10.880 0.886 8.044 1.00 1.00 H new HETATM 0 H2A HEC A 103 -18.709 -2.288 8.919 1.00 1.00 H new