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+ 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 : amide:sc= -2.46! C(o=-2.5!,f=-5.3!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.958) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.86! C(o=-3.9!,f=-1.9!) 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 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 180:sc= -0.111 (180deg=-0.111) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= -0.156 (180deg=-0.286) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -167:sc= 0 (180deg=-0.319) 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 180:sc= -0.0221 USER MOD Single : A 102 HEC O2A : rot 180:sc= 0 USER MOD Single : A 102 HEC O2D : rot 180:sc= 0 USER MOD Single : A 103 HEC O2A : rot 180:sc= -0.348 USER MOD Single : A 103 HEC O2D : rot 64:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.166 2.053 1.563 1.00 1.00 N ATOM 2 CA ALA A 1 3.461 1.315 0.347 1.00 1.00 C ATOM 3 C ALA A 1 3.086 2.169 -0.866 1.00 1.00 C ATOM 4 O ALA A 1 3.955 2.568 -1.641 1.00 1.00 O ATOM 5 CB ALA A 1 2.721 -0.024 0.369 1.00 1.00 C ATOM 0 H1 ALA A 1 3.420 1.475 2.390 1.00 1.00 H new ATOM 0 H2 ALA A 1 3.716 2.936 1.575 1.00 1.00 H new ATOM 0 H3 ALA A 1 2.151 2.277 1.596 1.00 1.00 H new ATOM 0 HA ALA A 1 4.527 1.097 0.280 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.943 -0.577 -0.544 1.00 1.00 H new ATOM 0 HB2 ALA A 1 3.045 -0.604 1.233 1.00 1.00 H new ATOM 0 HB3 ALA A 1 1.648 0.154 0.433 1.00 1.00 H new ATOM 11 N ASP A 2 1.793 2.425 -0.992 1.00 1.00 N ATOM 12 CA ASP A 2 1.292 3.224 -2.097 1.00 1.00 C ATOM 13 C ASP A 2 -0.235 3.280 -2.030 1.00 1.00 C ATOM 14 O ASP A 2 -0.819 4.361 -1.991 1.00 1.00 O ATOM 15 CB ASP A 2 1.684 2.610 -3.443 1.00 1.00 C ATOM 16 CG ASP A 2 2.790 3.354 -4.195 1.00 1.00 C ATOM 17 OD1 ASP A 2 3.595 4.079 -3.594 1.00 1.00 O ATOM 18 OD2 ASP A 2 2.805 3.163 -5.471 1.00 1.00 O ATOM 0 H ASP A 2 1.076 2.093 -0.347 1.00 1.00 H new ATOM 0 HA ASP A 2 1.725 4.221 -2.015 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.006 1.582 -3.276 1.00 1.00 H new ATOM 0 HB3 ASP A 2 0.799 2.568 -4.078 1.00 1.00 H new ATOM 24 N ASP A 3 -0.838 2.100 -2.018 1.00 1.00 N ATOM 25 CA ASP A 3 -2.287 2.001 -1.957 1.00 1.00 C ATOM 26 C ASP A 3 -2.692 1.319 -0.649 1.00 1.00 C ATOM 27 O ASP A 3 -2.209 0.232 -0.336 1.00 1.00 O ATOM 28 CB ASP A 3 -2.831 1.163 -3.116 1.00 1.00 C ATOM 29 CG ASP A 3 -4.239 1.542 -3.582 1.00 1.00 C ATOM 30 OD1 ASP A 3 -4.472 1.785 -4.775 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.129 1.584 -2.649 1.00 1.00 O ATOM 0 H ASP A 3 -0.350 1.205 -2.049 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.697 3.009 -2.018 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.148 1.252 -3.961 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.833 0.115 -2.817 1.00 1.00 H new ATOM 37 N ILE A 4 -3.574 1.986 0.081 1.00 1.00 N ATOM 38 CA ILE A 4 -4.050 1.457 1.348 1.00 1.00 C ATOM 39 C ILE A 4 -5.554 1.191 1.253 1.00 1.00 C ATOM 40 O ILE A 4 -6.353 2.125 1.246 1.00 1.00 O ATOM 41 CB ILE A 4 -3.662 2.390 2.497 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.146 2.594 2.550 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.218 1.881 3.828 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.708 3.100 3.926 1.00 1.00 C ATOM 0 H ILE A 4 -3.971 2.888 -0.181 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.571 0.503 1.566 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.112 3.365 2.312 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.641 1.654 2.327 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.845 3.308 1.783 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.928 2.562 4.628 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.305 1.829 3.772 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.818 0.888 4.034 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.627 3.236 3.936 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.196 4.052 4.136 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.989 2.373 4.688 1.00 1.00 H new ATOM 51 N VAL A 5 -5.893 -0.088 1.183 1.00 1.00 N ATOM 52 CA VAL A 5 -7.286 -0.488 1.089 1.00 1.00 C ATOM 53 C VAL A 5 -7.879 -0.593 2.495 1.00 1.00 C ATOM 54 O VAL A 5 -7.344 -1.303 3.347 1.00 1.00 O ATOM 55 CB VAL A 5 -7.404 -1.790 0.292 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.813 -2.376 0.406 1.00 1.00 C ATOM 57 CG2 VAL A 5 -7.018 -1.572 -1.173 1.00 1.00 C ATOM 0 H VAL A 5 -5.227 -0.860 1.190 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.863 0.263 0.548 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.706 -2.510 0.719 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.870 -3.300 -0.169 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -9.037 -2.585 1.452 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.537 -1.661 0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.110 -2.512 -1.717 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.680 -0.829 -1.617 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.988 -1.220 -1.229 1.00 1.00 H new ATOM 63 N LEU A 6 -8.974 0.124 2.697 1.00 1.00 N ATOM 64 CA LEU A 6 -9.645 0.121 3.985 1.00 1.00 C ATOM 65 C LEU A 6 -10.874 -0.788 3.914 1.00 1.00 C ATOM 66 O LEU A 6 -12.000 -0.306 3.786 1.00 1.00 O ATOM 67 CB LEU A 6 -9.961 1.550 4.429 1.00 1.00 C ATOM 68 CG LEU A 6 -8.784 2.527 4.435 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.255 3.955 4.150 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.999 2.432 5.745 1.00 1.00 C ATOM 0 H LEU A 6 -9.414 0.712 1.989 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.990 -0.289 4.754 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.736 1.950 3.774 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.381 1.512 5.434 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.103 2.247 3.631 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.399 4.629 4.160 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.734 3.992 3.172 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.968 4.262 4.915 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.168 3.137 5.723 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.656 2.672 6.581 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.613 1.420 5.865 1.00 1.00 H new ATOM 78 N LYS A 7 -10.618 -2.084 3.999 1.00 1.00 N ATOM 79 CA LYS A 7 -11.690 -3.064 3.945 1.00 1.00 C ATOM 80 C LYS A 7 -12.922 -2.505 4.661 1.00 1.00 C ATOM 81 O LYS A 7 -12.859 -2.170 5.842 1.00 1.00 O ATOM 82 CB LYS A 7 -11.215 -4.409 4.499 1.00 1.00 C ATOM 83 CG LYS A 7 -10.567 -4.238 5.873 1.00 1.00 C ATOM 84 CD LYS A 7 -10.858 -5.442 6.771 1.00 1.00 C ATOM 85 CE LYS A 7 -9.916 -6.605 6.451 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.543 -7.896 6.814 1.00 1.00 N ATOM 0 H LYS A 7 -9.684 -2.479 4.105 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.980 -3.255 2.912 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -12.060 -5.094 4.574 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.500 -4.858 3.809 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.490 -4.117 5.758 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.941 -3.329 6.345 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.746 -5.156 7.817 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.892 -5.759 6.636 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.670 -6.600 5.389 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -8.980 -6.483 6.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -9.890 -8.674 6.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -10.756 -7.905 7.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.424 -8.018 6.275 1.00 1.00 H new ATOM 99 N ALA A 8 -14.014 -2.423 3.915 1.00 1.00 N ATOM 100 CA ALA A 8 -15.258 -1.911 4.462 1.00 1.00 C ATOM 101 C ALA A 8 -16.356 -2.963 4.292 1.00 1.00 C ATOM 102 O ALA A 8 -16.225 -3.876 3.479 1.00 1.00 O ATOM 103 CB ALA A 8 -15.608 -0.587 3.783 1.00 1.00 C ATOM 0 H ALA A 8 -14.063 -2.703 2.935 1.00 1.00 H new ATOM 0 HA ALA A 8 -15.155 -1.712 5.529 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.542 -0.203 4.194 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.810 0.134 3.959 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.722 -0.747 2.711 1.00 1.00 H new ATOM 109 N LYS A 9 -17.414 -2.799 5.073 1.00 1.00 N ATOM 110 CA LYS A 9 -18.534 -3.723 5.018 1.00 1.00 C ATOM 111 C LYS A 9 -19.499 -3.285 3.914 1.00 1.00 C ATOM 112 O LYS A 9 -20.272 -4.093 3.403 1.00 1.00 O ATOM 113 CB LYS A 9 -19.191 -3.849 6.393 1.00 1.00 C ATOM 114 CG LYS A 9 -19.408 -5.318 6.765 1.00 1.00 C ATOM 115 CD LYS A 9 -19.694 -5.469 8.260 1.00 1.00 C ATOM 116 CE LYS A 9 -19.603 -6.935 8.692 1.00 1.00 C ATOM 117 NZ LYS A 9 -18.212 -7.280 9.059 1.00 1.00 N ATOM 0 H LYS A 9 -17.519 -2.041 5.747 1.00 1.00 H new ATOM 0 HA LYS A 9 -18.189 -4.724 4.761 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.565 -3.369 7.145 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -20.147 -3.325 6.393 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.240 -5.723 6.189 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -18.524 -5.898 6.500 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -18.983 -4.873 8.832 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -20.688 -5.081 8.485 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -20.264 -7.112 9.540 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -19.943 -7.581 7.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -18.167 -8.278 9.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -17.589 -7.130 8.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.901 -6.676 9.846 1.00 1.00 H new ATOM 130 N ASN A 10 -19.420 -2.006 3.577 1.00 1.00 N ATOM 131 CA ASN A 10 -20.276 -1.450 2.544 1.00 1.00 C ATOM 132 C ASN A 10 -19.409 -0.776 1.478 1.00 1.00 C ATOM 133 O ASN A 10 -19.452 0.443 1.317 1.00 1.00 O ATOM 134 CB ASN A 10 -21.222 -0.395 3.120 1.00 1.00 C ATOM 135 CG ASN A 10 -21.881 0.419 2.003 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.845 0.064 0.837 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.485 1.526 2.426 1.00 1.00 N ATOM 0 H ASN A 10 -18.776 -1.339 4.002 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.862 -2.264 2.118 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.990 -0.880 3.723 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.670 0.271 3.783 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.956 2.137 1.759 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.477 1.764 3.418 1.00 1.00 H new ATOM 143 N GLY A 11 -18.643 -1.598 0.776 1.00 1.00 N ATOM 144 CA GLY A 11 -17.768 -1.097 -0.269 1.00 1.00 C ATOM 145 C GLY A 11 -16.410 -0.685 0.303 1.00 1.00 C ATOM 146 O GLY A 11 -16.344 -0.025 1.340 1.00 1.00 O ATOM 0 H GLY A 11 -18.611 -2.609 0.911 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.628 -1.865 -1.030 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.234 -0.243 -0.760 1.00 1.00 H new ATOM 150 N ASP A 12 -15.361 -1.090 -0.397 1.00 1.00 N ATOM 151 CA ASP A 12 -14.009 -0.770 0.029 1.00 1.00 C ATOM 152 C ASP A 12 -13.703 0.689 -0.314 1.00 1.00 C ATOM 153 O ASP A 12 -14.488 1.350 -0.991 1.00 1.00 O ATOM 154 CB ASP A 12 -12.983 -1.649 -0.689 1.00 1.00 C ATOM 155 CG ASP A 12 -13.478 -3.048 -1.062 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.678 -3.908 -0.190 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.662 -3.244 -2.323 1.00 1.00 O ATOM 0 H ASP A 12 -15.420 -1.637 -1.256 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.944 -0.943 1.103 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.663 -1.139 -1.598 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -12.104 -1.749 -0.053 1.00 1.00 H new ATOM 163 N VAL A 13 -12.559 1.150 0.171 1.00 1.00 N ATOM 164 CA VAL A 13 -12.139 2.520 -0.076 1.00 1.00 C ATOM 165 C VAL A 13 -10.747 2.515 -0.711 1.00 1.00 C ATOM 166 O VAL A 13 -9.835 1.857 -0.212 1.00 1.00 O ATOM 167 CB VAL A 13 -12.202 3.327 1.222 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.585 4.716 1.033 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.639 3.431 1.735 1.00 1.00 C ATOM 0 H VAL A 13 -11.910 0.600 0.734 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.815 3.007 -0.779 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.616 2.798 1.974 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.642 5.270 1.970 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.542 4.613 0.735 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.132 5.255 0.259 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.655 4.010 2.659 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.258 3.926 0.986 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.030 2.432 1.926 1.00 1.00 H new ATOM 175 N LYS A 14 -10.628 3.256 -1.803 1.00 1.00 N ATOM 176 CA LYS A 14 -9.362 3.346 -2.511 1.00 1.00 C ATOM 177 C LYS A 14 -8.629 4.617 -2.078 1.00 1.00 C ATOM 178 O LYS A 14 -8.851 5.688 -2.641 1.00 1.00 O ATOM 179 CB LYS A 14 -9.586 3.249 -4.022 1.00 1.00 C ATOM 180 CG LYS A 14 -8.266 3.397 -4.783 1.00 1.00 C ATOM 181 CD LYS A 14 -7.385 2.160 -4.596 1.00 1.00 C ATOM 182 CE LYS A 14 -7.126 1.465 -5.934 1.00 1.00 C ATOM 183 NZ LYS A 14 -6.112 2.207 -6.716 1.00 1.00 N ATOM 0 H LYS A 14 -11.387 3.799 -2.215 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.720 2.504 -2.252 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.044 2.290 -4.264 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.282 4.025 -4.341 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.468 3.547 -5.844 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.736 4.282 -4.431 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.437 2.449 -4.143 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.868 1.465 -3.909 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.785 0.445 -5.760 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -8.054 1.398 -6.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.106 1.859 -7.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.343 3.221 -6.710 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.173 2.063 -6.292 1.00 1.00 H new ATOM 196 N PHE A 15 -7.771 4.457 -1.082 1.00 1.00 N ATOM 197 CA PHE A 15 -7.003 5.579 -0.567 1.00 1.00 C ATOM 198 C PHE A 15 -5.533 5.472 -0.977 1.00 1.00 C ATOM 199 O PHE A 15 -4.784 4.621 -0.502 1.00 1.00 O ATOM 200 CB PHE A 15 -7.101 5.524 0.959 1.00 1.00 C ATOM 201 CG PHE A 15 -6.605 6.791 1.660 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.790 8.006 1.078 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.980 6.701 2.864 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.331 9.182 1.728 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.522 7.876 3.515 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.706 9.093 2.933 1.00 1.00 C ATOM 0 H PHE A 15 -7.590 3.567 -0.617 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.396 6.514 -0.967 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.139 5.348 1.240 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.524 4.672 1.320 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.286 8.076 0.121 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.832 5.736 3.325 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.478 10.147 1.266 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -5.027 7.805 4.472 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.356 9.987 3.428 1.00 1.00 H new ATOM 216 N PRO A 16 -5.134 6.368 -1.883 1.00 1.00 N ATOM 217 CA PRO A 16 -3.789 6.450 -2.410 1.00 1.00 C ATOM 218 C PRO A 16 -2.900 7.202 -1.430 1.00 1.00 C ATOM 219 O PRO A 16 -2.827 8.427 -1.504 1.00 1.00 O ATOM 220 CB PRO A 16 -3.929 7.220 -3.722 1.00 1.00 C ATOM 221 CG PRO A 16 -5.088 8.157 -3.419 1.00 1.00 C ATOM 222 CD PRO A 16 -5.989 7.381 -2.461 1.00 1.00 C ATOM 0 HA PRO A 16 -3.335 5.471 -2.565 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -3.019 7.765 -3.974 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.147 6.559 -4.561 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.737 9.084 -2.966 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.623 8.429 -4.329 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.403 8.034 -1.693 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.832 6.933 -2.987 1.00 1.00 H new ATOM 230 N HIS A 17 -2.246 6.465 -0.530 1.00 1.00 N ATOM 231 CA HIS A 17 -1.360 7.044 0.473 1.00 1.00 C ATOM 232 C HIS A 17 -0.216 7.807 -0.219 1.00 1.00 C ATOM 233 O HIS A 17 -0.039 9.001 0.014 1.00 1.00 O ATOM 234 CB HIS A 17 -0.894 5.933 1.426 1.00 1.00 C ATOM 235 CG HIS A 17 -0.225 6.372 2.707 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.086 6.223 2.923 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.733 6.965 3.838 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.382 6.704 4.141 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.296 7.175 4.749 1.00 1.00 N ATOM 0 H HIS A 17 -2.318 5.449 -0.479 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.879 7.782 1.084 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.759 5.323 1.686 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.201 5.289 0.884 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.752 5.811 2.269 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.769 7.227 3.995 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.373 6.708 4.571 1.00 1.00 H new ATOM 247 N LYS A 18 0.523 7.086 -1.049 1.00 1.00 N ATOM 248 CA LYS A 18 1.636 7.682 -1.770 1.00 1.00 C ATOM 249 C LYS A 18 1.203 9.034 -2.340 1.00 1.00 C ATOM 250 O LYS A 18 2.003 9.966 -2.413 1.00 1.00 O ATOM 251 CB LYS A 18 2.171 6.713 -2.827 1.00 1.00 C ATOM 252 CG LYS A 18 2.789 7.470 -4.003 1.00 1.00 C ATOM 253 CD LYS A 18 3.974 6.701 -4.589 1.00 1.00 C ATOM 254 CE LYS A 18 4.860 7.619 -5.434 1.00 1.00 C ATOM 255 NZ LYS A 18 6.245 7.625 -4.913 1.00 1.00 N ATOM 0 H LYS A 18 0.373 6.095 -1.239 1.00 1.00 H new ATOM 0 HA LYS A 18 2.469 7.872 -1.094 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.918 6.057 -2.379 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.362 6.077 -3.185 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.036 7.627 -4.775 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.118 8.455 -3.673 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.562 6.263 -3.783 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.610 5.876 -5.202 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.857 7.284 -6.471 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.457 8.632 -5.425 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.833 8.253 -5.498 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.245 7.966 -3.931 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.632 6.660 -4.944 1.00 1.00 H new ATOM 268 N ALA A 19 -0.061 9.099 -2.729 1.00 1.00 N ATOM 269 CA ALA A 19 -0.610 10.322 -3.290 1.00 1.00 C ATOM 270 C ALA A 19 -0.762 11.364 -2.180 1.00 1.00 C ATOM 271 O ALA A 19 -0.445 12.537 -2.368 1.00 1.00 O ATOM 272 CB ALA A 19 -1.938 10.014 -3.985 1.00 1.00 C ATOM 0 H ALA A 19 -0.722 8.324 -2.667 1.00 1.00 H new ATOM 0 HA ALA A 19 0.063 10.735 -4.041 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.350 10.931 -4.406 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.772 9.291 -4.784 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.640 9.600 -3.261 1.00 1.00 H new ATOM 278 N HIS A 20 -1.251 10.897 -1.031 1.00 1.00 N ATOM 279 CA HIS A 20 -1.466 11.740 0.139 1.00 1.00 C ATOM 280 C HIS A 20 -0.151 11.883 0.926 1.00 1.00 C ATOM 281 O HIS A 20 -0.170 12.240 2.103 1.00 1.00 O ATOM 282 CB HIS A 20 -2.633 11.167 0.958 1.00 1.00 C ATOM 283 CG HIS A 20 -4.027 11.534 0.505 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.484 11.250 -0.719 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.053 12.175 1.157 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.744 11.697 -0.825 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.146 12.276 0.305 1.00 1.00 N ATOM 0 H HIS A 20 -1.509 9.921 -0.888 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.752 12.752 -0.146 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.550 10.080 0.954 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.515 11.492 1.992 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -3.960 10.772 -1.452 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.016 12.542 2.172 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.353 11.600 -1.711 1.00 1.00 H new ATOM 295 N GLN A 21 0.951 11.602 0.246 1.00 1.00 N ATOM 296 CA GLN A 21 2.260 11.697 0.868 1.00 1.00 C ATOM 297 C GLN A 21 3.008 12.925 0.344 1.00 1.00 C ATOM 298 O GLN A 21 4.180 13.124 0.659 1.00 1.00 O ATOM 299 CB GLN A 21 3.072 10.420 0.635 1.00 1.00 C ATOM 300 CG GLN A 21 3.790 9.988 1.915 1.00 1.00 C ATOM 301 CD GLN A 21 4.043 8.479 1.918 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.509 7.844 2.958 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 4.681 7.929 1.036 1.00 1.00 N flip ATOM 0 H GLN A 21 0.964 11.308 -0.731 1.00 1.00 H new ATOM 0 HA GLN A 21 2.123 11.810 1.943 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.412 9.621 0.296 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.802 10.588 -0.157 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.738 10.520 2.002 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.190 10.262 2.783 1.00 1.00 H new ATOM 0 HE21 GLN A 21 5.063 8.477 0.266 1.00 1.00 H new ATOM 0 HE22 GLN A 21 4.832 6.921 1.069 1.00 1.00 H new ATOM 311 N LYS A 22 2.299 13.717 -0.447 1.00 1.00 N ATOM 312 CA LYS A 22 2.882 14.920 -1.018 1.00 1.00 C ATOM 313 C LYS A 22 1.761 15.862 -1.462 1.00 1.00 C ATOM 314 O LYS A 22 1.842 16.471 -2.528 1.00 1.00 O ATOM 315 CB LYS A 22 3.864 14.562 -2.135 1.00 1.00 C ATOM 316 CG LYS A 22 5.204 15.272 -1.934 1.00 1.00 C ATOM 317 CD LYS A 22 6.360 14.419 -2.462 1.00 1.00 C ATOM 318 CE LYS A 22 7.708 15.075 -2.158 1.00 1.00 C ATOM 319 NZ LYS A 22 8.679 14.789 -3.238 1.00 1.00 N ATOM 0 H LYS A 22 1.327 13.550 -0.706 1.00 1.00 H new ATOM 0 HA LYS A 22 3.469 15.452 -0.269 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.019 13.483 -2.156 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.441 14.842 -3.100 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.192 16.233 -2.449 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.355 15.480 -0.875 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.323 13.429 -2.008 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.253 14.281 -3.538 1.00 1.00 H new ATOM 0 HE2 LYS A 22 7.579 16.152 -2.053 1.00 1.00 H new ATOM 0 HE3 LYS A 22 8.093 14.705 -1.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 9.589 15.242 -3.016 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 8.815 13.761 -3.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 8.317 15.163 -4.138 1.00 1.00 H new ATOM 332 N ALA A 23 0.740 15.953 -0.622 1.00 1.00 N ATOM 333 CA ALA A 23 -0.396 16.811 -0.915 1.00 1.00 C ATOM 334 C ALA A 23 -0.710 17.671 0.310 1.00 1.00 C ATOM 335 O ALA A 23 -0.841 18.890 0.201 1.00 1.00 O ATOM 336 CB ALA A 23 -1.587 15.953 -1.346 1.00 1.00 C ATOM 0 H ALA A 23 0.676 15.447 0.261 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.165 17.485 -1.740 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.439 16.597 -1.566 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.322 15.385 -2.238 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.850 15.265 -0.542 1.00 1.00 H new ATOM 342 N VAL A 24 -0.820 17.004 1.449 1.00 1.00 N ATOM 343 CA VAL A 24 -1.116 17.692 2.694 1.00 1.00 C ATOM 344 C VAL A 24 0.179 18.265 3.275 1.00 1.00 C ATOM 345 O VAL A 24 1.092 17.543 3.667 1.00 1.00 O ATOM 346 CB VAL A 24 -1.836 16.746 3.657 1.00 1.00 C ATOM 347 CG1 VAL A 24 -1.971 17.375 5.045 1.00 1.00 C ATOM 348 CG2 VAL A 24 -3.203 16.338 3.104 1.00 1.00 C ATOM 0 H VAL A 24 -0.709 15.994 1.536 1.00 1.00 H new ATOM 0 HA VAL A 24 -1.791 18.529 2.517 1.00 1.00 H new ATOM 0 HB VAL A 24 -1.232 15.844 3.756 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -2.486 16.682 5.710 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.980 17.592 5.444 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.543 18.300 4.971 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -3.694 15.666 3.807 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -3.818 17.227 2.962 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -3.072 15.831 2.148 1.00 1.00 H new ATOM 354 N PRO A 25 0.235 19.598 3.321 1.00 1.00 N ATOM 355 CA PRO A 25 1.361 20.349 3.833 1.00 1.00 C ATOM 356 C PRO A 25 1.856 19.713 5.123 1.00 1.00 C ATOM 357 O PRO A 25 2.994 19.248 5.158 1.00 1.00 O ATOM 358 CB PRO A 25 0.812 21.751 4.089 1.00 1.00 C ATOM 359 CG PRO A 25 -0.310 21.887 3.149 1.00 1.00 C ATOM 360 CD PRO A 25 -0.822 20.476 2.868 1.00 1.00 C ATOM 0 HA PRO A 25 2.206 20.369 3.145 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.480 21.865 5.121 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.572 22.513 3.913 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -1.099 22.507 3.575 1.00 1.00 H new ATOM 0 HG3 PRO A 25 0.014 22.372 2.228 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -1.753 20.280 3.400 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -1.026 20.334 1.807 1.00 1.00 H new ATOM 368 N ASP A 26 1.009 19.703 6.143 1.00 1.00 N ATOM 369 CA ASP A 26 1.384 19.121 7.420 1.00 1.00 C ATOM 370 C ASP A 26 0.786 17.718 7.532 1.00 1.00 C ATOM 371 O ASP A 26 -0.132 17.491 8.318 1.00 1.00 O ATOM 372 CB ASP A 26 0.849 19.957 8.585 1.00 1.00 C ATOM 373 CG ASP A 26 1.528 19.700 9.931 1.00 1.00 C ATOM 374 OD1 ASP A 26 2.694 19.282 9.989 1.00 1.00 O ATOM 375 OD2 ASP A 26 0.800 19.951 10.967 1.00 1.00 O ATOM 0 H ASP A 26 0.065 20.089 6.110 1.00 1.00 H new ATOM 0 HA ASP A 26 2.472 19.089 7.469 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.959 21.012 8.336 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -0.218 19.764 8.691 1.00 1.00 H new ATOM 381 N CYS A 27 1.330 16.812 6.732 1.00 1.00 N ATOM 382 CA CYS A 27 0.862 15.437 6.731 1.00 1.00 C ATOM 383 C CYS A 27 0.608 15.014 8.180 1.00 1.00 C ATOM 384 O CYS A 27 -0.250 14.172 8.443 1.00 1.00 O ATOM 385 CB CYS A 27 1.850 14.503 6.029 1.00 1.00 C ATOM 386 SG CYS A 27 2.516 13.160 7.079 1.00 1.00 S ATOM 0 H CYS A 27 2.091 17.004 6.080 1.00 1.00 H new ATOM 0 HA CYS A 27 -0.067 15.368 6.165 1.00 1.00 H new ATOM 0 HB2 CYS A 27 1.357 14.058 5.165 1.00 1.00 H new ATOM 0 HB3 CYS A 27 2.683 15.096 5.651 1.00 1.00 H new ATOM 391 N LYS A 28 1.369 15.617 9.080 1.00 1.00 N ATOM 392 CA LYS A 28 1.237 15.314 10.495 1.00 1.00 C ATOM 393 C LYS A 28 -0.232 15.438 10.905 1.00 1.00 C ATOM 394 O LYS A 28 -0.647 14.878 11.917 1.00 1.00 O ATOM 395 CB LYS A 28 2.182 16.190 11.320 1.00 1.00 C ATOM 396 CG LYS A 28 3.640 15.778 11.107 1.00 1.00 C ATOM 397 CD LYS A 28 4.245 15.217 12.395 1.00 1.00 C ATOM 398 CE LYS A 28 5.452 16.044 12.840 1.00 1.00 C ATOM 399 NZ LYS A 28 5.243 16.574 14.206 1.00 1.00 N ATOM 0 H LYS A 28 2.079 16.314 8.857 1.00 1.00 H new ATOM 0 HA LYS A 28 1.537 14.285 10.694 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.051 17.235 11.040 1.00 1.00 H new ATOM 0 HB3 LYS A 28 1.928 16.109 12.377 1.00 1.00 H new ATOM 0 HG2 LYS A 28 3.698 15.029 10.317 1.00 1.00 H new ATOM 0 HG3 LYS A 28 4.220 16.639 10.773 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.492 15.213 13.183 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.547 14.182 12.238 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.351 15.428 12.816 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.612 16.868 12.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.072 17.133 14.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 4.397 17.179 14.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 5.113 15.783 14.869 1.00 1.00 H new ATOM 412 N LYS A 29 -0.978 16.177 10.096 1.00 1.00 N ATOM 413 CA LYS A 29 -2.392 16.381 10.361 1.00 1.00 C ATOM 414 C LYS A 29 -3.012 15.067 10.839 1.00 1.00 C ATOM 415 O LYS A 29 -3.625 15.018 11.905 1.00 1.00 O ATOM 416 CB LYS A 29 -3.086 16.979 9.135 1.00 1.00 C ATOM 417 CG LYS A 29 -4.474 17.510 9.496 1.00 1.00 C ATOM 418 CD LYS A 29 -4.969 18.510 8.448 1.00 1.00 C ATOM 419 CE LYS A 29 -4.951 19.937 9.001 1.00 1.00 C ATOM 420 NZ LYS A 29 -6.285 20.305 9.526 1.00 1.00 N ATOM 0 H LYS A 29 -0.630 16.641 9.257 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.528 17.108 11.162 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.479 17.787 8.727 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.174 16.221 8.356 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -5.176 16.680 9.572 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.441 17.990 10.474 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -4.340 18.452 7.560 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -5.981 18.248 8.140 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -4.207 20.017 9.793 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.657 20.634 8.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -6.256 21.276 9.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -6.987 20.248 8.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -6.551 19.650 10.289 1.00 1.00 H new ATOM 433 N CYS A 30 -2.832 14.035 10.028 1.00 1.00 N ATOM 434 CA CYS A 30 -3.366 12.724 10.356 1.00 1.00 C ATOM 435 C CYS A 30 -2.442 12.073 11.386 1.00 1.00 C ATOM 436 O CYS A 30 -2.903 11.466 12.352 1.00 1.00 O ATOM 437 CB CYS A 30 -3.532 11.854 9.108 1.00 1.00 C ATOM 438 SG CYS A 30 -4.005 12.894 7.678 1.00 1.00 S ATOM 0 H CYS A 30 -2.324 14.080 9.145 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.364 12.830 10.781 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.601 11.329 8.894 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.293 11.094 9.283 1.00 1.00 H new ATOM 443 N HIS A 31 -1.139 12.219 11.148 1.00 1.00 N ATOM 444 CA HIS A 31 -0.107 11.668 12.020 1.00 1.00 C ATOM 445 C HIS A 31 0.405 12.761 12.976 1.00 1.00 C ATOM 446 O HIS A 31 1.598 13.062 12.988 1.00 1.00 O ATOM 447 CB HIS A 31 0.985 11.026 11.152 1.00 1.00 C ATOM 448 CG HIS A 31 0.536 9.981 10.157 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.308 8.997 10.478 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.844 9.801 8.829 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.518 8.233 9.394 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.170 8.685 8.348 1.00 1.00 N ATOM 0 H HIS A 31 -0.770 12.724 10.342 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.504 10.879 12.659 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.495 11.819 10.605 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.722 10.571 11.814 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -0.725 8.850 11.397 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.506 10.428 8.251 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.161 7.365 9.373 1.00 1.00 H new ATOM 460 N GLU A 32 -0.518 13.317 13.747 1.00 1.00 N ATOM 461 CA GLU A 32 -0.171 14.361 14.696 1.00 1.00 C ATOM 462 C GLU A 32 0.907 13.862 15.661 1.00 1.00 C ATOM 463 O GLU A 32 1.902 14.548 15.893 1.00 1.00 O ATOM 464 CB GLU A 32 -1.407 14.843 15.457 1.00 1.00 C ATOM 465 CG GLU A 32 -2.255 15.777 14.590 1.00 1.00 C ATOM 466 CD GLU A 32 -2.735 16.987 15.395 1.00 1.00 C ATOM 467 OE1 GLU A 32 -2.074 17.387 16.365 1.00 1.00 O ATOM 468 OE2 GLU A 32 -3.835 17.517 14.979 1.00 1.00 O ATOM 0 H GLU A 32 -1.506 13.064 13.734 1.00 1.00 H new ATOM 0 HA GLU A 32 0.228 15.211 14.143 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.005 13.986 15.767 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.100 15.362 16.365 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.671 16.114 13.733 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.114 15.234 14.196 1.00 1.00 H new ATOM 476 N LYS A 33 0.674 12.674 16.198 1.00 1.00 N ATOM 477 CA LYS A 33 1.612 12.076 17.132 1.00 1.00 C ATOM 478 C LYS A 33 2.814 11.530 16.361 1.00 1.00 C ATOM 479 O LYS A 33 3.948 11.944 16.596 1.00 1.00 O ATOM 480 CB LYS A 33 0.910 11.030 18.000 1.00 1.00 C ATOM 481 CG LYS A 33 0.146 11.693 19.148 1.00 1.00 C ATOM 482 CD LYS A 33 -0.790 12.785 18.626 1.00 1.00 C ATOM 483 CE LYS A 33 -1.928 13.051 19.613 1.00 1.00 C ATOM 484 NZ LYS A 33 -2.763 14.180 19.148 1.00 1.00 N ATOM 0 H LYS A 33 -0.152 12.109 16.004 1.00 1.00 H new ATOM 0 HA LYS A 33 1.992 12.827 17.824 1.00 1.00 H new ATOM 0 HB2 LYS A 33 0.221 10.448 17.388 1.00 1.00 H new ATOM 0 HB3 LYS A 33 1.645 10.333 18.402 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.431 10.942 19.687 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.852 12.123 19.859 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.226 13.703 18.460 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.202 12.485 17.663 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -2.542 12.157 19.719 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -1.518 13.275 20.598 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -3.531 14.348 19.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -2.177 15.036 19.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -3.169 13.952 18.218 1.00 1.00 H new ATOM 497 N GLY A 34 2.527 10.607 15.455 1.00 1.00 N ATOM 498 CA GLY A 34 3.571 9.999 14.648 1.00 1.00 C ATOM 499 C GLY A 34 2.980 9.001 13.649 1.00 1.00 C ATOM 500 O GLY A 34 1.776 8.762 13.600 1.00 1.00 O ATOM 0 H GLY A 34 1.586 10.265 15.262 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.119 10.774 14.112 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.287 9.491 15.295 1.00 1.00 H new ATOM 504 N PRO A 35 3.870 8.417 12.842 1.00 1.00 N ATOM 505 CA PRO A 35 3.533 7.443 11.826 1.00 1.00 C ATOM 506 C PRO A 35 3.399 6.067 12.463 1.00 1.00 C ATOM 507 O PRO A 35 4.232 5.716 13.298 1.00 1.00 O ATOM 508 CB PRO A 35 4.703 7.482 10.845 1.00 1.00 C ATOM 509 CG PRO A 35 5.733 8.633 11.411 1.00 1.00 C ATOM 510 CD PRO A 35 5.293 8.675 12.873 1.00 1.00 C ATOM 0 HA PRO A 35 2.587 7.656 11.329 1.00 1.00 H new ATOM 0 HB2 PRO A 35 5.196 6.512 10.788 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.361 7.726 9.839 1.00 1.00 H new ATOM 0 HG2 PRO A 35 6.779 8.350 11.297 1.00 1.00 H new ATOM 0 HG3 PRO A 35 5.606 9.592 10.908 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.818 7.925 13.465 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.509 9.644 13.323 1.00 1.00 H new ATOM 518 N GLY A 36 2.375 5.326 12.066 1.00 1.00 N ATOM 519 CA GLY A 36 2.156 3.997 12.613 1.00 1.00 C ATOM 520 C GLY A 36 0.668 3.645 12.617 1.00 1.00 C ATOM 521 O GLY A 36 -0.114 4.225 11.864 1.00 1.00 O ATOM 0 H GLY A 36 1.688 5.620 11.372 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.706 3.262 12.024 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.548 3.949 13.629 1.00 1.00 H new ATOM 525 N LYS A 37 0.320 2.696 13.474 1.00 1.00 N ATOM 526 CA LYS A 37 -1.062 2.259 13.586 1.00 1.00 C ATOM 527 C LYS A 37 -1.874 3.332 14.313 1.00 1.00 C ATOM 528 O LYS A 37 -1.854 3.404 15.541 1.00 1.00 O ATOM 529 CB LYS A 37 -1.136 0.879 14.244 1.00 1.00 C ATOM 530 CG LYS A 37 -0.118 -0.079 13.623 1.00 1.00 C ATOM 531 CD LYS A 37 1.200 -0.060 14.400 1.00 1.00 C ATOM 532 CE LYS A 37 1.703 -1.481 14.661 1.00 1.00 C ATOM 533 NZ LYS A 37 3.177 -1.492 14.798 1.00 1.00 N ATOM 0 H LYS A 37 0.971 2.218 14.097 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.505 2.139 12.597 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.948 0.972 15.314 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.141 0.471 14.131 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.524 -1.090 13.614 1.00 1.00 H new ATOM 0 HG3 LYS A 37 0.064 0.201 12.585 1.00 1.00 H new ATOM 0 HD2 LYS A 37 1.949 0.497 13.838 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.060 0.460 15.348 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.245 -1.875 15.568 1.00 1.00 H new ATOM 0 HE3 LYS A 37 1.403 -2.135 13.843 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 3.502 -2.464 14.975 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 3.610 -1.136 13.922 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 3.456 -0.884 15.594 1.00 1.00 H new ATOM 546 N ILE A 38 -2.568 4.139 13.526 1.00 1.00 N ATOM 547 CA ILE A 38 -3.385 5.205 14.079 1.00 1.00 C ATOM 548 C ILE A 38 -4.294 4.632 15.169 1.00 1.00 C ATOM 549 O ILE A 38 -4.937 3.602 14.969 1.00 1.00 O ATOM 550 CB ILE A 38 -4.144 5.932 12.967 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.176 6.616 11.999 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.162 6.915 13.549 1.00 1.00 C ATOM 553 CD1 ILE A 38 -3.921 7.194 10.795 1.00 1.00 C ATOM 0 H ILE A 38 -2.582 4.076 12.508 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.756 5.960 14.550 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.703 5.191 12.395 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.641 7.412 12.516 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.429 5.899 11.659 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.687 7.418 12.737 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.880 6.373 14.165 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.645 7.655 14.160 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.210 7.674 10.123 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.435 6.392 10.266 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.650 7.929 11.137 1.00 1.00 H new ATOM 560 N GLU A 39 -4.317 5.323 16.299 1.00 1.00 N ATOM 561 CA GLU A 39 -5.135 4.896 17.421 1.00 1.00 C ATOM 562 C GLU A 39 -6.452 4.300 16.921 1.00 1.00 C ATOM 563 O GLU A 39 -7.412 5.028 16.671 1.00 1.00 O ATOM 564 CB GLU A 39 -5.390 6.054 18.387 1.00 1.00 C ATOM 565 CG GLU A 39 -4.718 5.800 19.738 1.00 1.00 C ATOM 566 CD GLU A 39 -5.554 4.850 20.597 1.00 1.00 C ATOM 567 OE1 GLU A 39 -5.729 3.678 20.233 1.00 1.00 O ATOM 568 OE2 GLU A 39 -6.029 5.368 21.678 1.00 1.00 O ATOM 0 H GLU A 39 -3.782 6.176 16.462 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.593 4.124 17.967 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.011 6.981 17.957 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.463 6.184 18.529 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -3.726 5.376 19.581 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -4.581 6.745 20.263 1.00 1.00 H new ATOM 576 N GLY A 40 -6.456 2.981 16.789 1.00 1.00 N ATOM 577 CA GLY A 40 -7.640 2.279 16.323 1.00 1.00 C ATOM 578 C GLY A 40 -8.505 3.186 15.445 1.00 1.00 C ATOM 579 O GLY A 40 -9.442 3.817 15.933 1.00 1.00 O ATOM 0 H GLY A 40 -5.658 2.380 16.997 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.344 1.395 15.758 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.221 1.932 17.177 1.00 1.00 H new ATOM 583 N PHE A 41 -8.160 3.221 14.166 1.00 1.00 N ATOM 584 CA PHE A 41 -8.894 4.040 13.216 1.00 1.00 C ATOM 585 C PHE A 41 -10.344 3.573 13.094 1.00 1.00 C ATOM 586 O PHE A 41 -10.621 2.555 12.460 1.00 1.00 O ATOM 587 CB PHE A 41 -8.203 3.881 11.861 1.00 1.00 C ATOM 588 CG PHE A 41 -8.974 4.498 10.693 1.00 1.00 C ATOM 589 CD1 PHE A 41 -8.799 5.811 10.382 1.00 1.00 C ATOM 590 CD2 PHE A 41 -9.832 3.735 9.965 1.00 1.00 C ATOM 591 CE1 PHE A 41 -9.515 6.384 9.297 1.00 1.00 C ATOM 592 CE2 PHE A 41 -10.548 4.308 8.881 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.374 5.621 8.570 1.00 1.00 C ATOM 0 H PHE A 41 -7.383 2.696 13.766 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.903 5.078 13.549 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.215 4.338 11.913 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.053 2.820 11.664 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -8.116 6.417 10.959 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -9.969 2.692 10.211 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -9.377 7.426 9.050 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -11.230 3.702 8.304 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.918 6.057 7.746 1.00 1.00 H new ATOM 603 N GLY A 42 -11.234 4.336 13.712 1.00 1.00 N ATOM 604 CA GLY A 42 -12.650 4.012 13.680 1.00 1.00 C ATOM 605 C GLY A 42 -13.292 4.488 12.376 1.00 1.00 C ATOM 606 O GLY A 42 -12.623 5.078 11.529 1.00 1.00 O ATOM 0 H GLY A 42 -11.001 5.178 14.238 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.783 2.935 13.783 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.152 4.477 14.528 1.00 1.00 H new ATOM 610 N LYS A 43 -14.582 4.211 12.253 1.00 1.00 N ATOM 611 CA LYS A 43 -15.322 4.602 11.065 1.00 1.00 C ATOM 612 C LYS A 43 -15.658 6.092 11.148 1.00 1.00 C ATOM 613 O LYS A 43 -15.241 6.875 10.295 1.00 1.00 O ATOM 614 CB LYS A 43 -16.547 3.705 10.878 1.00 1.00 C ATOM 615 CG LYS A 43 -16.211 2.246 11.192 1.00 1.00 C ATOM 616 CD LYS A 43 -15.542 1.567 9.994 1.00 1.00 C ATOM 617 CE LYS A 43 -14.019 1.683 10.079 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.473 0.671 11.011 1.00 1.00 N ATOM 0 H LYS A 43 -15.134 3.720 12.957 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.713 4.461 10.172 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.353 4.044 11.528 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -16.909 3.786 9.853 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -15.549 2.200 12.057 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -17.121 1.708 11.458 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.829 0.516 9.960 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.894 2.024 9.069 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.582 1.548 9.089 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.743 2.682 10.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.438 0.764 11.057 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -13.876 0.818 11.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.721 -0.281 10.674 1.00 1.00 H new ATOM 631 N GLU A 44 -16.409 6.441 12.182 1.00 1.00 N ATOM 632 CA GLU A 44 -16.806 7.823 12.388 1.00 1.00 C ATOM 633 C GLU A 44 -15.650 8.765 12.044 1.00 1.00 C ATOM 634 O GLU A 44 -15.849 9.786 11.391 1.00 1.00 O ATOM 635 CB GLU A 44 -17.290 8.048 13.822 1.00 1.00 C ATOM 636 CG GLU A 44 -17.672 9.512 14.048 1.00 1.00 C ATOM 637 CD GLU A 44 -18.613 10.010 12.950 1.00 1.00 C ATOM 638 OE1 GLU A 44 -18.191 10.165 11.795 1.00 1.00 O ATOM 639 OE2 GLU A 44 -19.824 10.237 13.332 1.00 1.00 O ATOM 0 H GLU A 44 -16.753 5.789 12.887 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.639 8.044 11.721 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.149 7.409 14.024 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.507 7.760 14.523 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.153 9.620 15.020 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.772 10.127 14.067 1.00 1.00 H new ATOM 647 N MET A 45 -14.465 8.385 12.502 1.00 1.00 N ATOM 648 CA MET A 45 -13.277 9.182 12.253 1.00 1.00 C ATOM 649 C MET A 45 -13.140 9.511 10.766 1.00 1.00 C ATOM 650 O MET A 45 -12.816 10.641 10.403 1.00 1.00 O ATOM 651 CB MET A 45 -12.040 8.415 12.724 1.00 1.00 C ATOM 652 CG MET A 45 -10.851 9.358 12.919 1.00 1.00 C ATOM 653 SD MET A 45 -9.988 9.583 11.373 1.00 1.00 S ATOM 654 CE MET A 45 -8.390 10.094 11.981 1.00 1.00 C ATOM 0 H MET A 45 -14.303 7.536 13.044 1.00 1.00 H new ATOM 0 HA MET A 45 -13.367 10.117 12.805 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.260 7.903 13.661 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.784 7.647 11.994 1.00 1.00 H new ATOM 0 HG2 MET A 45 -11.198 10.321 13.294 1.00 1.00 H new ATOM 0 HG3 MET A 45 -10.172 8.950 13.668 1.00 1.00 H new ATOM 0 HE1 MET A 45 -7.722 10.278 11.139 1.00 1.00 H new ATOM 0 HE2 MET A 45 -8.498 11.008 12.565 1.00 1.00 H new ATOM 0 HE3 MET A 45 -7.972 9.309 12.611 1.00 1.00 H new ATOM 664 N ALA A 46 -13.392 8.503 9.944 1.00 1.00 N ATOM 665 CA ALA A 46 -13.302 8.670 8.503 1.00 1.00 C ATOM 666 C ALA A 46 -14.113 9.897 8.084 1.00 1.00 C ATOM 667 O ALA A 46 -13.557 10.898 7.636 1.00 1.00 O ATOM 668 CB ALA A 46 -13.777 7.393 7.809 1.00 1.00 C ATOM 0 H ALA A 46 -13.659 7.567 10.249 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.268 8.839 8.201 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.709 7.519 6.728 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.149 6.557 8.117 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.812 7.191 8.086 1.00 1.00 H new ATOM 674 N HIS A 47 -15.433 9.783 8.245 1.00 1.00 N ATOM 675 CA HIS A 47 -16.368 10.848 7.903 1.00 1.00 C ATOM 676 C HIS A 47 -16.102 12.079 8.789 1.00 1.00 C ATOM 677 O HIS A 47 -16.638 13.156 8.527 1.00 1.00 O ATOM 678 CB HIS A 47 -17.799 10.301 7.994 1.00 1.00 C ATOM 679 CG HIS A 47 -18.055 8.957 7.352 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.810 8.017 7.928 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.627 8.425 6.159 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.851 6.941 7.126 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.138 7.140 6.019 1.00 1.00 N ATOM 0 H HIS A 47 -15.881 8.946 8.617 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.228 11.187 6.877 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.070 10.232 9.047 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.471 11.029 7.539 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -19.279 8.103 8.830 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -16.993 8.927 5.443 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.391 6.033 7.349 1.00 1.00 H new ATOM 691 N GLY A 48 -15.281 11.877 9.809 1.00 1.00 N ATOM 692 CA GLY A 48 -14.945 12.954 10.724 1.00 1.00 C ATOM 693 C GLY A 48 -13.924 13.906 10.098 1.00 1.00 C ATOM 694 O GLY A 48 -14.060 14.293 8.938 1.00 1.00 O ATOM 0 H GLY A 48 -14.839 10.983 10.022 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -15.847 13.505 10.989 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.542 12.539 11.648 1.00 1.00 H new ATOM 698 N LYS A 49 -12.924 14.257 10.893 1.00 1.00 N ATOM 699 CA LYS A 49 -11.881 15.157 10.431 1.00 1.00 C ATOM 700 C LYS A 49 -10.597 14.360 10.189 1.00 1.00 C ATOM 701 O LYS A 49 -9.522 14.758 10.635 1.00 1.00 O ATOM 702 CB LYS A 49 -11.706 16.322 11.408 1.00 1.00 C ATOM 703 CG LYS A 49 -12.471 17.558 10.928 1.00 1.00 C ATOM 704 CD LYS A 49 -11.647 18.829 11.140 1.00 1.00 C ATOM 705 CE LYS A 49 -12.543 20.069 11.150 1.00 1.00 C ATOM 706 NZ LYS A 49 -12.552 20.713 9.818 1.00 1.00 N ATOM 0 H LYS A 49 -12.814 13.934 11.854 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.162 15.609 9.480 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.062 16.030 12.396 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.647 16.561 11.509 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.716 17.451 9.871 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.415 17.638 11.467 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.104 18.761 12.082 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.903 18.920 10.349 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -13.558 19.789 11.432 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.187 20.776 11.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -13.138 21.572 9.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -11.580 20.967 9.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -12.945 20.053 9.116 1.00 1.00 H new ATOM 719 N GLY A 50 -10.752 13.250 9.484 1.00 1.00 N ATOM 720 CA GLY A 50 -9.618 12.394 9.178 1.00 1.00 C ATOM 721 C GLY A 50 -9.867 11.591 7.899 1.00 1.00 C ATOM 722 O GLY A 50 -9.439 10.442 7.790 1.00 1.00 O ATOM 0 H GLY A 50 -11.645 12.923 9.116 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.720 13.001 9.062 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.437 11.713 10.010 1.00 1.00 H new ATOM 726 N CYS A 51 -10.558 12.227 6.964 1.00 1.00 N ATOM 727 CA CYS A 51 -10.868 11.586 5.698 1.00 1.00 C ATOM 728 C CYS A 51 -11.707 12.555 4.861 1.00 1.00 C ATOM 729 O CYS A 51 -11.206 13.151 3.910 1.00 1.00 O ATOM 730 CB CYS A 51 -11.579 10.246 5.901 1.00 1.00 C ATOM 731 SG CYS A 51 -11.128 8.947 4.694 1.00 1.00 S ATOM 0 H CYS A 51 -10.912 13.179 7.058 1.00 1.00 H new ATOM 0 HA CYS A 51 -9.943 11.356 5.169 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.358 9.882 6.904 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.655 10.411 5.851 1.00 1.00 H new ATOM 736 N LYS A 52 -12.968 12.681 5.247 1.00 1.00 N ATOM 737 CA LYS A 52 -13.881 13.568 4.546 1.00 1.00 C ATOM 738 C LYS A 52 -13.729 14.987 5.096 1.00 1.00 C ATOM 739 O LYS A 52 -13.529 15.934 4.336 1.00 1.00 O ATOM 740 CB LYS A 52 -15.311 13.029 4.617 1.00 1.00 C ATOM 741 CG LYS A 52 -16.279 13.946 3.865 1.00 1.00 C ATOM 742 CD LYS A 52 -17.240 14.640 4.834 1.00 1.00 C ATOM 743 CE LYS A 52 -18.688 14.231 4.556 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.110 13.159 5.484 1.00 1.00 N ATOM 0 H LYS A 52 -13.379 12.183 6.037 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.634 13.610 3.485 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.348 12.027 4.190 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.620 12.943 5.659 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.717 14.694 3.306 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.846 13.365 3.138 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -16.976 14.383 5.860 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.139 15.721 4.740 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -19.344 15.095 4.666 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.784 13.887 3.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.095 12.893 5.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.495 12.330 5.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -19.037 13.500 6.464 1.00 1.00 H new ATOM 757 N GLY A 53 -13.831 15.092 6.413 1.00 1.00 N ATOM 758 CA GLY A 53 -13.708 16.379 7.074 1.00 1.00 C ATOM 759 C GLY A 53 -12.693 17.271 6.353 1.00 1.00 C ATOM 760 O GLY A 53 -13.033 18.361 5.897 1.00 1.00 O ATOM 0 H GLY A 53 -13.998 14.305 7.040 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.679 16.873 7.099 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.398 16.232 8.109 1.00 1.00 H new ATOM 764 N CYS A 54 -11.468 16.772 6.274 1.00 1.00 N ATOM 765 CA CYS A 54 -10.402 17.510 5.617 1.00 1.00 C ATOM 766 C CYS A 54 -10.953 18.094 4.316 1.00 1.00 C ATOM 767 O CYS A 54 -11.071 19.309 4.170 1.00 1.00 O ATOM 768 CB CYS A 54 -9.174 16.630 5.373 1.00 1.00 C ATOM 769 SG CYS A 54 -7.733 17.672 4.939 1.00 1.00 S ATOM 0 H CYS A 54 -11.190 15.867 6.653 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.065 18.321 6.263 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -8.954 16.044 6.265 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.377 15.923 4.569 1.00 1.00 H new ATOM 774 N HIS A 55 -11.280 17.194 3.387 1.00 1.00 N ATOM 775 CA HIS A 55 -11.821 17.562 2.084 1.00 1.00 C ATOM 776 C HIS A 55 -12.860 18.687 2.250 1.00 1.00 C ATOM 777 O HIS A 55 -12.834 19.666 1.506 1.00 1.00 O ATOM 778 CB HIS A 55 -12.361 16.300 1.396 1.00 1.00 C ATOM 779 CG HIS A 55 -11.421 15.120 1.306 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.811 13.868 1.565 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.089 15.044 0.975 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.762 13.045 1.401 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.674 13.720 1.038 1.00 1.00 N ATOM 0 H HIS A 55 -11.176 16.188 3.520 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.048 17.968 1.431 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.258 15.981 1.927 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.668 16.569 0.385 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.751 13.584 1.842 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.463 15.883 0.708 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.797 11.975 1.545 1.00 1.00 H new ATOM 791 N GLU A 56 -13.739 18.506 3.224 1.00 1.00 N ATOM 792 CA GLU A 56 -14.774 19.491 3.490 1.00 1.00 C ATOM 793 C GLU A 56 -14.144 20.828 3.884 1.00 1.00 C ATOM 794 O GLU A 56 -14.655 21.889 3.526 1.00 1.00 O ATOM 795 CB GLU A 56 -15.735 18.998 4.573 1.00 1.00 C ATOM 796 CG GLU A 56 -16.755 20.079 4.935 1.00 1.00 C ATOM 797 CD GLU A 56 -18.099 19.817 4.251 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.320 20.279 3.122 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.928 19.104 4.934 1.00 1.00 O ATOM 0 H GLU A 56 -13.756 17.692 3.839 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.352 19.638 2.578 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.254 18.105 4.224 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.172 18.713 5.461 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.892 20.107 6.016 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.376 21.056 4.637 1.00 1.00 H new ATOM 807 N GLU A 57 -13.044 20.735 4.616 1.00 1.00 N ATOM 808 CA GLU A 57 -12.339 21.925 5.062 1.00 1.00 C ATOM 809 C GLU A 57 -11.436 22.457 3.947 1.00 1.00 C ATOM 810 O GLU A 57 -11.570 23.606 3.529 1.00 1.00 O ATOM 811 CB GLU A 57 -11.535 21.642 6.331 1.00 1.00 C ATOM 812 CG GLU A 57 -11.021 22.941 6.957 1.00 1.00 C ATOM 813 CD GLU A 57 -11.403 23.025 8.437 1.00 1.00 C ATOM 814 OE1 GLU A 57 -12.427 23.634 8.778 1.00 1.00 O ATOM 815 OE2 GLU A 57 -10.592 22.429 9.243 1.00 1.00 O ATOM 0 H GLU A 57 -12.623 19.854 4.912 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.076 22.692 5.302 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.158 21.110 7.050 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.694 20.990 6.095 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -9.937 22.995 6.854 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -11.435 23.796 6.422 1.00 1.00 H new ATOM 823 N MET A 58 -10.535 21.595 3.498 1.00 1.00 N ATOM 824 CA MET A 58 -9.610 21.963 2.440 1.00 1.00 C ATOM 825 C MET A 58 -10.354 22.237 1.131 1.00 1.00 C ATOM 826 O MET A 58 -9.777 22.769 0.184 1.00 1.00 O ATOM 827 CB MET A 58 -8.601 20.833 2.227 1.00 1.00 C ATOM 828 CG MET A 58 -7.177 21.381 2.118 1.00 1.00 C ATOM 829 SD MET A 58 -6.421 21.436 3.735 1.00 1.00 S ATOM 830 CE MET A 58 -5.319 20.037 3.608 1.00 1.00 C ATOM 0 H MET A 58 -10.426 20.643 3.848 1.00 1.00 H new ATOM 0 HA MET A 58 -9.091 22.874 2.738 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.660 20.127 3.056 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.853 20.282 1.321 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.586 20.752 1.452 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.195 22.379 1.681 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.939 19.783 4.597 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.859 19.184 3.197 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.485 20.289 2.952 1.00 1.00 H new ATOM 840 N LYS A 59 -11.624 21.861 1.120 1.00 1.00 N ATOM 841 CA LYS A 59 -12.454 22.059 -0.056 1.00 1.00 C ATOM 842 C LYS A 59 -11.820 21.338 -1.248 1.00 1.00 C ATOM 843 O LYS A 59 -12.153 21.623 -2.398 1.00 1.00 O ATOM 844 CB LYS A 59 -12.695 23.551 -0.297 1.00 1.00 C ATOM 845 CG LYS A 59 -13.435 24.184 0.883 1.00 1.00 C ATOM 846 CD LYS A 59 -13.643 25.683 0.660 1.00 1.00 C ATOM 847 CE LYS A 59 -14.244 26.345 1.902 1.00 1.00 C ATOM 848 NZ LYS A 59 -15.122 27.472 1.515 1.00 1.00 N ATOM 0 H LYS A 59 -12.099 21.420 1.907 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.441 21.621 0.095 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.742 24.058 -0.447 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -13.275 23.687 -1.210 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.400 23.695 1.016 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -12.868 24.024 1.800 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -12.690 26.154 0.418 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.302 25.839 -0.194 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.814 25.612 2.473 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -13.446 26.704 2.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -15.522 27.910 2.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -14.569 28.179 0.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -15.894 27.120 0.913 1.00 1.00 H new ATOM 861 N LYS A 60 -10.919 20.420 -0.933 1.00 1.00 N ATOM 862 CA LYS A 60 -10.236 19.656 -1.964 1.00 1.00 C ATOM 863 C LYS A 60 -10.513 18.166 -1.757 1.00 1.00 C ATOM 864 O LYS A 60 -10.629 17.705 -0.622 1.00 1.00 O ATOM 865 CB LYS A 60 -8.747 20.008 -1.993 1.00 1.00 C ATOM 866 CG LYS A 60 -8.390 20.775 -3.268 1.00 1.00 C ATOM 867 CD LYS A 60 -7.363 21.872 -2.977 1.00 1.00 C ATOM 868 CE LYS A 60 -7.629 23.111 -3.833 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.365 23.626 -4.405 1.00 1.00 N ATOM 0 H LYS A 60 -10.645 20.187 0.022 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.621 19.917 -2.950 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.495 20.610 -1.120 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.153 19.096 -1.934 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -7.991 20.086 -4.012 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.290 21.218 -3.695 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -7.401 22.140 -1.921 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.359 21.497 -3.175 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.324 22.864 -4.635 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -8.103 23.884 -3.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.563 24.467 -4.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.714 23.881 -3.635 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.928 22.892 -4.999 1.00 1.00 H new ATOM 882 N GLY A 61 -10.612 17.455 -2.870 1.00 1.00 N ATOM 883 CA GLY A 61 -10.874 16.026 -2.824 1.00 1.00 C ATOM 884 C GLY A 61 -12.363 15.735 -3.023 1.00 1.00 C ATOM 885 O GLY A 61 -13.198 16.632 -3.107 1.00 1.00 O ATOM 0 H GLY A 61 -10.516 17.841 -3.809 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.295 15.521 -3.597 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.546 15.623 -1.866 1.00 1.00 H new ATOM 889 N PRO A 62 -12.679 14.440 -3.095 1.00 1.00 N ATOM 890 CA PRO A 62 -14.024 13.938 -3.278 1.00 1.00 C ATOM 891 C PRO A 62 -14.747 13.914 -1.940 1.00 1.00 C ATOM 892 O PRO A 62 -14.101 13.682 -0.919 1.00 1.00 O ATOM 893 CB PRO A 62 -13.843 12.524 -3.827 1.00 1.00 C ATOM 894 CG PRO A 62 -12.245 12.284 -3.951 1.00 1.00 C ATOM 895 CD PRO A 62 -11.722 13.359 -3.000 1.00 1.00 C ATOM 0 HA PRO A 62 -14.619 14.556 -3.950 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.296 11.788 -3.163 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.328 12.419 -4.797 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.952 11.281 -3.642 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.884 12.422 -4.970 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.651 12.983 -1.979 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.724 13.689 -3.288 1.00 1.00 H new ATOM 903 N THR A 63 -16.050 14.154 -1.964 1.00 1.00 N ATOM 904 CA THR A 63 -16.833 14.156 -0.740 1.00 1.00 C ATOM 905 C THR A 63 -18.017 13.194 -0.862 1.00 1.00 C ATOM 906 O THR A 63 -18.767 13.004 0.094 1.00 1.00 O ATOM 907 CB THR A 63 -17.251 15.599 -0.450 1.00 1.00 C ATOM 908 OG1 THR A 63 -16.618 16.357 -1.477 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.636 16.138 0.844 1.00 1.00 C ATOM 0 H THR A 63 -16.583 14.348 -2.812 1.00 1.00 H new ATOM 0 HA THR A 63 -16.247 13.795 0.105 1.00 1.00 H new ATOM 0 HB THR A 63 -18.338 15.656 -0.387 1.00 1.00 H new ATOM 0 HG1 THR A 63 -16.837 17.306 -1.366 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.965 17.165 1.003 1.00 1.00 H new ATOM 0 HG22 THR A 63 -16.956 15.521 1.684 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.549 16.112 0.768 1.00 1.00 H new ATOM 915 N LYS A 64 -18.145 12.611 -2.045 1.00 1.00 N ATOM 916 CA LYS A 64 -19.223 11.674 -2.305 1.00 1.00 C ATOM 917 C LYS A 64 -18.809 10.281 -1.825 1.00 1.00 C ATOM 918 O LYS A 64 -17.622 10.001 -1.672 1.00 1.00 O ATOM 919 CB LYS A 64 -19.633 11.721 -3.778 1.00 1.00 C ATOM 920 CG LYS A 64 -20.392 13.010 -4.096 1.00 1.00 C ATOM 921 CD LYS A 64 -19.783 13.721 -5.305 1.00 1.00 C ATOM 922 CE LYS A 64 -20.756 14.752 -5.882 1.00 1.00 C ATOM 923 NZ LYS A 64 -20.179 15.395 -7.083 1.00 1.00 N ATOM 0 H LYS A 64 -17.519 12.770 -2.834 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.114 11.954 -1.743 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.746 11.652 -4.408 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.258 10.860 -4.013 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -21.439 12.780 -4.294 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.369 13.672 -3.231 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -18.856 14.214 -5.013 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -19.527 12.989 -6.071 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -21.698 14.268 -6.139 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -20.981 15.508 -5.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -20.852 16.091 -7.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -19.292 15.874 -6.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -19.986 14.672 -7.805 1.00 1.00 H new ATOM 936 N CYS A 65 -19.812 9.445 -1.602 1.00 1.00 N ATOM 937 CA CYS A 65 -19.566 8.087 -1.143 1.00 1.00 C ATOM 938 C CYS A 65 -18.898 7.310 -2.278 1.00 1.00 C ATOM 939 O CYS A 65 -17.748 6.889 -2.155 1.00 1.00 O ATOM 940 CB CYS A 65 -20.853 7.410 -0.668 1.00 1.00 C ATOM 941 SG CYS A 65 -22.147 8.556 -0.066 1.00 1.00 S ATOM 0 H CYS A 65 -20.796 9.681 -1.730 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.902 8.107 -0.278 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.262 6.822 -1.490 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.606 6.712 0.131 1.00 1.00 H new ATOM 946 N GLY A 66 -19.646 7.144 -3.359 1.00 1.00 N ATOM 947 CA GLY A 66 -19.140 6.424 -4.516 1.00 1.00 C ATOM 948 C GLY A 66 -17.696 6.823 -4.822 1.00 1.00 C ATOM 949 O GLY A 66 -16.947 6.051 -5.418 1.00 1.00 O ATOM 0 H GLY A 66 -20.598 7.496 -3.458 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.193 5.351 -4.333 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.769 6.631 -5.381 1.00 1.00 H new ATOM 953 N GLU A 67 -17.347 8.030 -4.399 1.00 1.00 N ATOM 954 CA GLU A 67 -16.005 8.541 -4.621 1.00 1.00 C ATOM 955 C GLU A 67 -15.009 7.833 -3.701 1.00 1.00 C ATOM 956 O GLU A 67 -13.907 7.486 -4.123 1.00 1.00 O ATOM 957 CB GLU A 67 -15.956 10.058 -4.418 1.00 1.00 C ATOM 958 CG GLU A 67 -16.786 10.780 -5.481 1.00 1.00 C ATOM 959 CD GLU A 67 -16.086 10.743 -6.841 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.477 11.741 -7.253 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.191 9.626 -7.478 1.00 1.00 O ATOM 0 H GLU A 67 -17.970 8.668 -3.904 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.725 8.336 -5.654 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.332 10.308 -3.426 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.923 10.401 -4.463 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.768 10.313 -5.560 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.949 11.815 -5.180 1.00 1.00 H new ATOM 969 N CYS A 68 -15.432 7.639 -2.460 1.00 1.00 N ATOM 970 CA CYS A 68 -14.590 6.978 -1.478 1.00 1.00 C ATOM 971 C CYS A 68 -14.895 5.479 -1.514 1.00 1.00 C ATOM 972 O CYS A 68 -13.987 4.652 -1.556 1.00 1.00 O ATOM 973 CB CYS A 68 -14.786 7.566 -0.078 1.00 1.00 C ATOM 974 SG CYS A 68 -13.472 8.790 0.276 1.00 1.00 S ATOM 0 H CYS A 68 -16.346 7.928 -2.113 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.541 7.141 -1.726 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.765 8.040 -0.008 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.763 6.770 0.666 1.00 1.00 H new ATOM 979 N HIS A 69 -16.191 5.167 -1.498 1.00 1.00 N ATOM 980 CA HIS A 69 -16.675 3.791 -1.527 1.00 1.00 C ATOM 981 C HIS A 69 -16.962 3.371 -2.981 1.00 1.00 C ATOM 982 O HIS A 69 -16.993 4.217 -3.873 1.00 1.00 O ATOM 983 CB HIS A 69 -17.881 3.668 -0.585 1.00 1.00 C ATOM 984 CG HIS A 69 -17.633 3.960 0.878 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.876 3.175 1.650 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.070 4.984 1.684 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.843 3.689 2.890 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.565 4.807 2.966 1.00 1.00 N ATOM 0 H HIS A 69 -16.935 5.864 -1.464 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.920 3.095 -1.161 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.660 4.343 -0.939 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.275 2.655 -0.668 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.401 2.325 1.347 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.706 5.798 1.370 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.302 3.254 3.717 1.00 1.00 H new ATOM 996 N LYS A 70 -17.164 2.076 -3.167 1.00 1.00 N ATOM 997 CA LYS A 70 -17.446 1.545 -4.490 1.00 1.00 C ATOM 998 C LYS A 70 -16.188 1.645 -5.354 1.00 1.00 C ATOM 999 O LYS A 70 -15.827 2.730 -5.809 1.00 1.00 O ATOM 1000 CB LYS A 70 -18.666 2.241 -5.098 1.00 1.00 C ATOM 1001 CG LYS A 70 -19.956 1.505 -4.731 1.00 1.00 C ATOM 1002 CD LYS A 70 -21.179 2.224 -5.302 1.00 1.00 C ATOM 1003 CE LYS A 70 -22.285 1.228 -5.659 1.00 1.00 C ATOM 1004 NZ LYS A 70 -22.047 0.649 -7.000 1.00 1.00 N ATOM 0 H LYS A 70 -17.138 1.378 -2.424 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.708 0.489 -4.428 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -18.717 3.270 -4.743 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -18.563 2.283 -6.182 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -19.918 0.485 -5.113 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -20.044 1.436 -3.647 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -21.554 2.944 -4.575 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -20.892 2.788 -6.190 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -22.321 0.433 -4.914 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -23.253 1.728 -5.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -22.806 -0.025 -7.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -22.035 1.409 -7.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -21.132 0.155 -7.007 1.00 1.00 H new ATOM 1017 N LYS A 71 -15.553 0.500 -5.554 1.00 1.00 N ATOM 1018 CA LYS A 71 -14.343 0.445 -6.356 1.00 1.00 C ATOM 1019 C LYS A 71 -14.718 0.433 -7.839 1.00 1.00 C ATOM 1020 O LYS A 71 -15.044 1.473 -8.408 1.00 1.00 O ATOM 1021 CB LYS A 71 -13.473 -0.741 -5.932 1.00 1.00 C ATOM 1022 CG LYS A 71 -14.202 -2.066 -6.164 1.00 1.00 C ATOM 1023 CD LYS A 71 -13.703 -2.752 -7.437 1.00 1.00 C ATOM 1024 CE LYS A 71 -14.760 -3.703 -8.000 1.00 1.00 C ATOM 1025 NZ LYS A 71 -14.296 -4.303 -9.270 1.00 1.00 N ATOM 0 H LYS A 71 -15.854 -0.398 -5.174 1.00 1.00 H new ATOM 0 HA LYS A 71 -13.735 1.334 -6.188 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -12.540 -0.732 -6.495 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -13.210 -0.646 -4.878 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -14.049 -2.724 -5.308 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -15.274 -1.886 -6.240 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -13.451 -2.000 -8.184 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -12.789 -3.306 -7.221 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -14.972 -4.490 -7.276 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -15.692 -3.163 -8.166 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -15.026 -4.946 -9.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -14.116 -3.550 -9.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -13.419 -4.836 -9.102 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 0.243 7.951 6.487 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -0.535 4.684 7.571 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.570 7.250 7.040 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.009 11.101 5.512 1.00 1.00 C HETATM 1043 CHD HEC A 101 -3.154 8.634 6.450 1.00 1.00 C HETATM 1044 NA HEC A 101 1.284 6.316 7.235 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.807 5.043 7.494 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.905 4.123 7.677 1.00 1.00 C HETATM 1047 C3A HEC A 101 3.045 4.832 7.530 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.663 6.197 7.256 1.00 1.00 C HETATM 1049 CMA HEC A 101 4.459 4.337 7.627 1.00 1.00 C HETATM 1050 CAA HEC A 101 1.759 2.659 7.974 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.439 1.806 6.749 1.00 1.00 C HETATM 1052 CGA HEC A 101 1.345 0.332 7.117 1.00 1.00 C HETATM 1053 O1A HEC A 101 0.327 -0.032 7.745 1.00 1.00 O HETATM 1054 O2A HEC A 101 2.292 -0.402 6.763 1.00 1.00 O HETATM 1055 NB HEC A 101 1.946 8.928 6.241 1.00 1.00 N HETATM 1056 C1B HEC A 101 3.208 8.538 6.658 1.00 1.00 C HETATM 1057 C2B HEC A 101 4.110 9.665 6.642 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.403 10.734 6.219 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.056 10.279 5.968 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.558 9.610 7.033 1.00 1.00 C HETATM 1061 CAB HEC A 101 3.884 12.143 6.031 1.00 1.00 C HETATM 1062 CBB HEC A 101 5.162 12.471 6.796 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.907 9.487 5.852 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.412 10.761 5.627 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.460 11.741 5.790 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.586 11.069 6.111 1.00 1.00 C HETATM 1067 C4C HEC A 101 -2.247 9.666 6.150 1.00 1.00 C HETATM 1068 CMC HEC A 101 -1.284 13.223 5.623 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.951 11.630 6.383 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.598 12.304 5.177 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.488 6.884 6.952 1.00 1.00 N HETATM 1072 C1D HEC A 101 -2.787 7.341 6.811 1.00 1.00 C HETATM 1073 C2D HEC A 101 -3.726 6.281 7.092 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.003 5.184 7.404 1.00 1.00 C HETATM 1075 C4D HEC A 101 -1.610 5.555 7.317 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.219 6.417 7.036 1.00 1.00 C HETATM 1077 CAD HEC A 101 -3.507 3.819 7.773 1.00 1.00 C HETATM 1078 CBD HEC A 101 -3.698 3.614 9.273 1.00 1.00 C HETATM 1079 CGD HEC A 101 -4.416 2.303 9.560 1.00 1.00 C HETATM 1080 O1D HEC A 101 -3.893 1.540 10.400 1.00 1.00 O HETATM 1081 O2D HEC A 101 -5.477 2.088 8.932 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.542 7.180 7.745 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.520 6.706 6.029 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -5.681 5.464 7.293 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.542 13.584 6.335 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.948 13.437 4.609 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -2.235 13.725 5.804 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.643 9.283 8.069 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 6.083 8.907 6.386 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 6.001 10.600 6.928 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 4.631 3.920 8.619 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 4.627 3.566 6.875 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 5.147 5.165 7.457 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -2.728 3.617 9.770 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -4.271 4.444 9.687 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -3.972 13.131 4.843 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.704 11.580 4.369 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -5.581 12.683 5.456 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 4.994 12.329 7.864 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 5.964 11.811 6.465 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 5.443 13.507 6.607 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 0.498 2.135 6.309 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 2.211 1.947 5.992 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -4.458 3.645 7.269 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -2.807 3.071 7.400 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 2.683 2.296 8.425 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 0.969 2.526 8.713 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.218 8.863 6.396 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.271 12.050 5.044 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.631 7.043 7.182 1.00 1.00 H new HETATM 0 HHA HEC A 101 -0.770 3.656 7.847 1.00 1.00 H new HETATM 0 H2D HEC A 101 -5.844 1.219 9.198 1.00 1.00 H new HETATM 0 H2A HEC A 101 2.246 -1.252 7.248 1.00 1.00 H new HETATM 1082 FE HEC A 102 -7.837 13.020 0.657 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -7.923 14.305 -2.503 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.349 10.085 -0.532 1.00 1.00 C HETATM 1085 CHC HEC A 102 -7.934 11.651 3.858 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.470 15.885 1.869 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.512 12.337 -1.136 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.431 13.020 -2.337 1.00 1.00 C HETATM 1089 C2A HEC A 102 -8.950 12.208 -3.411 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.346 11.037 -2.868 1.00 1.00 C HETATM 1091 C4A HEC A 102 -9.077 11.114 -1.452 1.00 1.00 C HETATM 1092 CMA HEC A 102 -9.957 9.856 -3.564 1.00 1.00 C HETATM 1093 CAA HEC A 102 -9.019 12.629 -4.851 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.667 12.635 -5.559 1.00 1.00 C HETATM 1095 CGA HEC A 102 -7.825 12.963 -7.037 1.00 1.00 C HETATM 1096 O1A HEC A 102 -8.434 14.016 -7.323 1.00 1.00 O HETATM 1097 O2A HEC A 102 -7.335 12.154 -7.853 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.486 11.220 1.482 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.115 10.170 0.838 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.504 9.157 1.791 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.112 9.588 3.009 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.479 10.872 2.821 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.209 7.878 1.446 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.282 8.899 4.332 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.603 7.535 4.413 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.261 13.628 2.511 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.524 13.034 3.733 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.265 13.965 4.807 1.00 1.00 C HETATM 1109 C3C HEC A 102 -6.849 15.118 4.242 1.00 1.00 C HETATM 1110 C4C HEC A 102 -6.845 14.912 2.813 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.442 13.662 6.267 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.454 16.393 4.928 1.00 1.00 C HETATM 1113 CBC HEC A 102 -6.087 16.218 6.399 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.383 14.762 -0.129 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.684 15.779 0.499 1.00 1.00 C HETATM 1116 C2D HEC A 102 -6.200 16.728 -0.475 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.602 16.294 -1.688 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.338 15.070 -1.478 1.00 1.00 C HETATM 1119 CMD HEC A 102 -5.402 17.959 -0.152 1.00 1.00 C HETATM 1120 CAD HEC A 102 -6.354 16.927 -3.026 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.594 16.036 -4.004 1.00 1.00 C HETATM 1122 CGD HEC A 102 -5.464 16.702 -5.366 1.00 1.00 C HETATM 1123 O1D HEC A 102 -4.926 17.831 -5.396 1.00 1.00 O HETATM 1124 O2D HEC A 102 -5.904 16.072 -6.351 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -5.982 18.606 0.507 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.475 17.672 0.345 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -5.169 18.494 -1.073 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.481 13.397 6.460 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -6.797 12.829 6.546 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.176 14.540 6.856 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.165 8.105 0.975 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.594 7.298 0.758 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.380 7.300 2.354 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -10.889 10.158 -4.043 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.266 9.481 -4.319 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.161 9.070 -2.836 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -4.603 15.818 -3.607 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -6.112 15.083 -4.110 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -6.941 15.812 6.941 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -5.244 15.532 6.485 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.813 17.184 6.823 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.019 6.876 3.651 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.532 7.651 4.246 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -8.772 7.102 5.399 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -7.010 13.367 -5.089 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -7.190 11.661 -5.448 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -7.311 17.201 -3.469 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -5.793 17.850 -2.881 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.694 11.959 -5.383 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.452 13.628 -4.907 1.00 1.00 H new HETATM 0 HHD HEC A 102 -5.977 16.785 2.237 1.00 1.00 H new HETATM 0 HHC HEC A 102 -7.811 11.176 4.831 1.00 1.00 H new HETATM 0 HHB HEC A 102 -9.772 9.158 -0.918 1.00 1.00 H new HETATM 0 HHA HEC A 102 -7.983 14.749 -3.496 1.00 1.00 H new HETATM 0 H2D HEC A 102 -5.766 16.600 -7.165 1.00 1.00 H new HETATM 0 H2A HEC A 102 -7.501 12.469 -8.766 1.00 1.00 H new HETATM 1125 FE HEC A 103 -17.873 5.991 4.551 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -16.896 3.504 6.644 1.00 1.00 C HETATM 1127 CHB HEC A 103 -21.156 5.024 4.839 1.00 1.00 C HETATM 1128 CHC HEC A 103 -18.865 8.460 2.257 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.556 6.850 3.989 1.00 1.00 C HETATM 1130 NA HEC A 103 -18.816 4.518 5.474 1.00 1.00 N HETATM 1131 C1A HEC A 103 -18.257 3.670 6.414 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.294 2.970 7.135 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.476 3.390 6.638 1.00 1.00 C HETATM 1134 C4A HEC A 103 -20.184 4.353 5.603 1.00 1.00 C HETATM 1135 CMA HEC A 103 -21.856 2.964 7.050 1.00 1.00 C HETATM 1136 CAA HEC A 103 -19.054 1.970 8.229 1.00 1.00 C HETATM 1137 CBA HEC A 103 -18.330 0.708 7.768 1.00 1.00 C HETATM 1138 CGA HEC A 103 -18.988 -0.540 8.339 1.00 1.00 C HETATM 1139 O1A HEC A 103 -18.231 -1.470 8.689 1.00 1.00 O HETATM 1140 O2A HEC A 103 -20.236 -0.540 8.414 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.638 6.593 3.690 1.00 1.00 N HETATM 1142 C1B HEC A 103 -20.895 6.102 4.000 1.00 1.00 C HETATM 1143 C2B HEC A 103 -21.914 6.872 3.326 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.282 7.825 2.609 1.00 1.00 C HETATM 1145 C4B HEC A 103 -19.866 7.656 2.833 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.390 6.622 3.433 1.00 1.00 C HETATM 1147 CAB HEC A 103 -21.893 8.880 1.734 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.088 9.592 2.362 1.00 1.00 C HETATM 1149 NC HEC A 103 -16.900 7.509 3.531 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.463 8.483 2.725 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.432 9.228 2.043 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.246 8.711 2.431 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.533 7.641 3.358 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.678 10.360 1.088 1.00 1.00 C HETATM 1155 CAC HEC A 103 -13.871 9.135 2.008 1.00 1.00 C HETATM 1156 CBC HEC A 103 -13.607 10.630 2.160 1.00 1.00 C HETATM 1157 ND HEC A 103 -16.096 5.348 5.197 1.00 1.00 N HETATM 1158 C1D HEC A 103 -14.832 5.774 4.826 1.00 1.00 C HETATM 1159 C2D HEC A 103 -13.824 4.937 5.433 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.470 4.009 6.170 1.00 1.00 C HETATM 1161 C4D HEC A 103 -15.884 4.261 6.026 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.344 5.108 5.250 1.00 1.00 C HETATM 1163 CAD HEC A 103 -13.873 2.906 6.995 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.459 1.680 6.188 1.00 1.00 C HETATM 1165 CGD HEC A 103 -12.677 0.696 7.047 1.00 1.00 C HETATM 1166 O1D HEC A 103 -11.481 0.972 7.279 1.00 1.00 O HETATM 1167 O2D HEC A 103 -13.290 -0.313 7.456 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -12.094 5.011 4.193 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -12.045 6.094 5.605 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -11.816 4.343 5.819 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.274 10.004 0.248 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.214 11.159 1.601 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -15.725 10.740 0.721 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.615 5.615 3.081 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.701 6.720 4.473 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -23.927 7.349 2.823 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -21.966 1.891 6.897 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -22.010 3.198 8.104 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.595 3.494 6.449 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -14.345 1.190 5.784 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -12.850 1.989 5.338 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.317 11.189 1.550 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -13.723 10.916 3.205 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.592 10.855 1.833 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -23.870 8.865 2.583 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -22.776 10.081 3.285 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.473 10.339 1.668 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -18.334 0.660 6.679 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -17.287 0.749 8.081 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -13.001 3.292 7.522 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.595 2.602 7.753 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.470 2.444 9.019 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -20.012 1.688 8.666 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.510 7.097 3.810 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.139 9.101 1.419 1.00 1.00 H new HETATM 0 HHB HEC A 103 -22.186 4.675 4.910 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.592 2.734 7.353 1.00 1.00 H new HETATM 0 H2D HEC A 103 -13.552 -0.868 6.692 1.00 1.00 H new HETATM 0 H2A HEC A 103 -20.541 -1.391 8.793 1.00 1.00 H new