USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0563 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.00242 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -2 F(o=-4.6!,f=-2) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.36 USER MOD Single : A 22 ASN : amide:sc= -3.95! C(o=-4!,f=-7.3!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 27 MET CE :methyl -164:sc= -2.64 (180deg=-3.73!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.4!) USER MOD Single : A 55 TYR OH : rot -165:sc= -3.71! USER MOD Single : A 56 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-3.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= -0.025 (180deg=-0.025) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 0.221 (180deg=-0.0108) USER MOD Single : A 71 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.088) USER MOD Single : A 73 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.097 35.709 -16.037 1.00 0.00 N ATOM 2 CA GLY A 1 -14.890 35.867 -14.609 1.00 0.00 C ATOM 3 C GLY A 1 -15.817 34.993 -13.788 1.00 0.00 C ATOM 4 O GLY A 1 -16.798 34.460 -14.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.313 35.159 -16.443 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.993 35.209 -16.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.133 36.645 -16.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.856 35.623 -14.366 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.044 36.911 -14.336 1.00 0.00 H new ATOM 8 N SER A 2 -15.504 34.844 -12.505 1.00 0.00 N ATOM 9 CA SER A 2 -16.314 34.023 -11.612 1.00 0.00 C ATOM 10 C SER A 2 -15.831 34.151 -10.170 1.00 0.00 C ATOM 11 O SER A 2 -14.711 34.594 -9.916 1.00 0.00 O ATOM 12 CB SER A 2 -16.266 32.557 -12.049 1.00 0.00 C ATOM 13 OG SER A 2 -17.290 31.805 -11.421 1.00 0.00 O ATOM 0 H SER A 2 -14.696 35.280 -12.061 1.00 0.00 H new ATOM 0 HA SER A 2 -17.343 34.378 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.375 32.493 -13.132 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.294 32.132 -11.801 1.00 0.00 H new ATOM 0 HG SER A 2 -17.240 30.872 -11.717 1.00 0.00 H new ATOM 19 N SER A 3 -16.686 33.760 -9.230 1.00 0.00 N ATOM 20 CA SER A 3 -16.350 33.835 -7.813 1.00 0.00 C ATOM 21 C SER A 3 -16.881 32.616 -7.064 1.00 0.00 C ATOM 22 O SER A 3 -17.953 32.100 -7.377 1.00 0.00 O ATOM 23 CB SER A 3 -16.921 35.114 -7.198 1.00 0.00 C ATOM 24 OG SER A 3 -16.051 36.213 -7.407 1.00 0.00 O ATOM 0 H SER A 3 -17.616 33.388 -9.424 1.00 0.00 H new ATOM 0 HA SER A 3 -15.264 33.851 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.895 35.329 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.078 34.969 -6.129 1.00 0.00 H new ATOM 0 HG SER A 3 -15.460 36.023 -8.165 1.00 0.00 H new ATOM 30 N GLY A 4 -16.122 32.162 -6.072 1.00 0.00 N ATOM 31 CA GLY A 4 -16.531 31.008 -5.293 1.00 0.00 C ATOM 32 C GLY A 4 -16.053 31.078 -3.856 1.00 0.00 C ATOM 33 O GLY A 4 -15.206 31.905 -3.517 1.00 0.00 O ATOM 0 H GLY A 4 -15.231 32.573 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.618 30.931 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.141 30.103 -5.758 1.00 0.00 H new ATOM 37 N SER A 5 -16.597 30.210 -3.010 1.00 0.00 N ATOM 38 CA SER A 5 -16.225 30.182 -1.600 1.00 0.00 C ATOM 39 C SER A 5 -15.452 28.909 -1.268 1.00 0.00 C ATOM 40 O SER A 5 -15.716 27.845 -1.828 1.00 0.00 O ATOM 41 CB SER A 5 -17.472 30.278 -0.719 1.00 0.00 C ATOM 42 OG SER A 5 -17.128 30.260 0.655 1.00 0.00 O ATOM 0 H SER A 5 -17.297 29.517 -3.276 1.00 0.00 H new ATOM 0 HA SER A 5 -15.582 31.040 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.014 31.195 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.142 29.447 -0.940 1.00 0.00 H new ATOM 0 HG SER A 5 -17.942 30.324 1.197 1.00 0.00 H new ATOM 48 N SER A 6 -14.494 29.027 -0.354 1.00 0.00 N ATOM 49 CA SER A 6 -13.679 27.888 0.051 1.00 0.00 C ATOM 50 C SER A 6 -13.738 27.687 1.562 1.00 0.00 C ATOM 51 O SER A 6 -12.889 28.186 2.300 1.00 0.00 O ATOM 52 CB SER A 6 -12.229 28.089 -0.392 1.00 0.00 C ATOM 53 OG SER A 6 -11.533 26.855 -0.437 1.00 0.00 O ATOM 0 H SER A 6 -14.263 29.900 0.120 1.00 0.00 H new ATOM 0 HA SER A 6 -14.079 26.996 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.208 28.558 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.726 28.769 0.296 1.00 0.00 H new ATOM 0 HG SER A 6 -10.609 27.011 -0.724 1.00 0.00 H new ATOM 59 N GLY A 7 -14.749 26.952 2.017 1.00 0.00 N ATOM 60 CA GLY A 7 -14.901 26.698 3.437 1.00 0.00 C ATOM 61 C GLY A 7 -13.660 26.083 4.053 1.00 0.00 C ATOM 62 O GLY A 7 -12.622 25.977 3.399 1.00 0.00 O ATOM 0 H GLY A 7 -15.465 26.528 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.131 27.633 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.749 26.032 3.595 1.00 0.00 H new ATOM 66 N MET A 8 -13.765 25.678 5.314 1.00 0.00 N ATOM 67 CA MET A 8 -12.641 25.071 6.018 1.00 0.00 C ATOM 68 C MET A 8 -12.982 23.654 6.466 1.00 0.00 C ATOM 69 O MET A 8 -13.321 23.424 7.626 1.00 0.00 O ATOM 70 CB MET A 8 -12.250 25.921 7.229 1.00 0.00 C ATOM 71 CG MET A 8 -11.359 27.102 6.880 1.00 0.00 C ATOM 72 SD MET A 8 -9.606 26.682 6.908 1.00 0.00 S ATOM 73 CE MET A 8 -8.926 28.000 5.905 1.00 0.00 C ATOM 0 H MET A 8 -14.617 25.759 5.870 1.00 0.00 H new ATOM 0 HA MET A 8 -11.797 25.023 5.330 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.155 26.289 7.712 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.736 25.290 7.955 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.624 27.472 5.890 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.546 27.913 7.584 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.846 27.878 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.367 27.964 4.909 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.151 28.962 6.366 1.00 0.00 H new ATOM 83 N ALA A 9 -12.889 22.706 5.538 1.00 0.00 N ATOM 84 CA ALA A 9 -13.186 21.311 5.839 1.00 0.00 C ATOM 85 C ALA A 9 -11.909 20.525 6.114 1.00 0.00 C ATOM 86 O ALA A 9 -10.923 20.648 5.386 1.00 0.00 O ATOM 87 CB ALA A 9 -13.961 20.678 4.693 1.00 0.00 C ATOM 0 H ALA A 9 -12.610 22.879 4.572 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.800 21.282 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.176 19.636 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.897 21.217 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.366 20.726 3.781 1.00 0.00 H new ATOM 93 N LEU A 10 -11.932 19.719 7.170 1.00 0.00 N ATOM 94 CA LEU A 10 -10.775 18.912 7.542 1.00 0.00 C ATOM 95 C LEU A 10 -10.810 17.556 6.846 1.00 0.00 C ATOM 96 O LEU A 10 -11.478 16.628 7.303 1.00 0.00 O ATOM 97 CB LEU A 10 -10.731 18.719 9.059 1.00 0.00 C ATOM 98 CG LEU A 10 -10.638 19.995 9.896 1.00 0.00 C ATOM 99 CD1 LEU A 10 -11.107 19.736 11.319 1.00 0.00 C ATOM 100 CD2 LEU A 10 -9.214 20.533 9.892 1.00 0.00 C ATOM 0 H LEU A 10 -12.739 19.607 7.784 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.876 19.440 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.625 18.174 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.876 18.087 9.300 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.291 20.746 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.033 20.656 11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.143 19.398 11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.481 18.969 11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.167 21.441 10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.541 19.785 10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.913 20.758 8.869 1.00 0.00 H new ATOM 112 N VAL A 11 -10.084 17.446 5.737 1.00 0.00 N ATOM 113 CA VAL A 11 -10.029 16.202 4.979 1.00 0.00 C ATOM 114 C VAL A 11 -9.867 15.001 5.905 1.00 0.00 C ATOM 115 O VAL A 11 -8.929 14.921 6.699 1.00 0.00 O ATOM 116 CB VAL A 11 -8.871 16.214 3.964 1.00 0.00 C ATOM 117 CG1 VAL A 11 -7.592 16.711 4.619 1.00 0.00 C ATOM 118 CG2 VAL A 11 -8.672 14.829 3.368 1.00 0.00 C ATOM 0 H VAL A 11 -9.526 18.204 5.344 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.973 16.117 4.441 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.126 16.899 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.785 16.712 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.744 17.723 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.329 16.054 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.850 14.855 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.439 14.121 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.585 14.517 2.860 1.00 0.00 H new ATOM 128 N PRO A 12 -10.800 14.044 5.801 1.00 0.00 N ATOM 129 CA PRO A 12 -10.782 12.829 6.621 1.00 0.00 C ATOM 130 C PRO A 12 -9.640 11.892 6.243 1.00 0.00 C ATOM 131 O PRO A 12 -9.067 12.001 5.159 1.00 0.00 O ATOM 132 CB PRO A 12 -12.132 12.175 6.316 1.00 0.00 C ATOM 133 CG PRO A 12 -12.501 12.679 4.964 1.00 0.00 C ATOM 134 CD PRO A 12 -11.946 14.074 4.876 1.00 0.00 C ATOM 0 HA PRO A 12 -10.630 13.052 7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.056 11.088 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.881 12.449 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.084 12.043 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.583 12.680 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.636 14.320 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.683 14.819 5.174 1.00 0.00 H new ATOM 142 N VAL A 13 -9.313 10.971 7.144 1.00 0.00 N ATOM 143 CA VAL A 13 -8.240 10.014 6.905 1.00 0.00 C ATOM 144 C VAL A 13 -8.768 8.754 6.227 1.00 0.00 C ATOM 145 O VAL A 13 -9.910 8.351 6.447 1.00 0.00 O ATOM 146 CB VAL A 13 -7.535 9.621 8.216 1.00 0.00 C ATOM 147 CG1 VAL A 13 -6.864 10.833 8.846 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.523 8.987 9.183 1.00 0.00 C ATOM 0 H VAL A 13 -9.776 10.868 8.047 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.521 10.503 6.248 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.763 8.886 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.371 10.536 9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.125 11.240 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.615 11.593 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.007 8.715 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.318 9.697 9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.952 8.093 8.731 1.00 0.00 H new ATOM 158 N TYR A 14 -7.929 8.136 5.404 1.00 0.00 N ATOM 159 CA TYR A 14 -8.311 6.922 4.692 1.00 0.00 C ATOM 160 C TYR A 14 -7.333 5.789 4.983 1.00 0.00 C ATOM 161 O TYR A 14 -7.713 4.618 5.021 1.00 0.00 O ATOM 162 CB TYR A 14 -8.371 7.186 3.187 1.00 0.00 C ATOM 163 CG TYR A 14 -8.927 8.546 2.832 1.00 0.00 C ATOM 164 CD1 TYR A 14 -8.137 9.686 2.916 1.00 0.00 C ATOM 165 CD2 TYR A 14 -10.244 8.692 2.411 1.00 0.00 C ATOM 166 CE1 TYR A 14 -8.641 10.931 2.594 1.00 0.00 C ATOM 167 CE2 TYR A 14 -10.756 9.933 2.085 1.00 0.00 C ATOM 168 CZ TYR A 14 -9.951 11.049 2.178 1.00 0.00 C ATOM 169 OH TYR A 14 -10.457 12.287 1.855 1.00 0.00 O ATOM 0 H TYR A 14 -6.979 8.456 5.213 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.299 6.622 5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.368 7.093 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.985 6.418 2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.110 9.597 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.878 7.820 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.013 11.807 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.781 10.029 1.759 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.393 12.196 1.580 1.00 0.00 H new ATOM 179 N CYS A 15 -6.069 6.145 5.188 1.00 0.00 N ATOM 180 CA CYS A 15 -5.033 5.161 5.476 1.00 0.00 C ATOM 181 C CYS A 15 -5.153 4.647 6.908 1.00 0.00 C ATOM 182 O CYS A 15 -6.000 5.108 7.675 1.00 0.00 O ATOM 183 CB CYS A 15 -3.647 5.768 5.255 1.00 0.00 C ATOM 184 SG CYS A 15 -2.359 4.550 4.836 1.00 0.00 S ATOM 0 H CYS A 15 -5.738 7.109 5.160 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.167 4.321 4.795 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.709 6.505 4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.348 6.301 6.157 1.00 0.00 H new ATOM 189 N LEU A 16 -4.301 3.691 7.261 1.00 0.00 N ATOM 190 CA LEU A 16 -4.311 3.115 8.601 1.00 0.00 C ATOM 191 C LEU A 16 -3.529 3.989 9.576 1.00 0.00 C ATOM 192 O LEU A 16 -3.812 4.008 10.774 1.00 0.00 O ATOM 193 CB LEU A 16 -3.719 1.705 8.575 1.00 0.00 C ATOM 194 CG LEU A 16 -4.024 0.871 7.330 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.992 -0.233 7.161 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.426 0.286 7.411 1.00 0.00 C ATOM 0 H LEU A 16 -3.595 3.298 6.638 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.346 3.062 8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.637 1.785 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.083 1.164 9.448 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.974 1.523 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.225 -0.816 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.001 0.208 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.009 -0.884 8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.626 -0.304 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.504 -0.351 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.154 1.094 7.483 1.00 0.00 H new ATOM 208 N CYS A 17 -2.545 4.714 9.054 1.00 0.00 N ATOM 209 CA CYS A 17 -1.723 5.593 9.876 1.00 0.00 C ATOM 210 C CYS A 17 -2.537 6.776 10.391 1.00 0.00 C ATOM 211 O CYS A 17 -2.046 7.585 11.178 1.00 0.00 O ATOM 212 CB CYS A 17 -0.520 6.097 9.076 1.00 0.00 C ATOM 213 SG CYS A 17 -0.913 6.569 7.361 1.00 0.00 S ATOM 0 H CYS A 17 -2.298 4.710 8.064 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.367 5.020 10.732 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.091 6.958 9.589 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.245 5.320 9.062 1.00 0.00 H new ATOM 218 N ARG A 18 -3.784 6.869 9.941 1.00 0.00 N ATOM 219 CA ARG A 18 -4.667 7.954 10.355 1.00 0.00 C ATOM 220 C ARG A 18 -4.271 9.264 9.681 1.00 0.00 C ATOM 221 O ARG A 18 -4.221 10.313 10.324 1.00 0.00 O ATOM 222 CB ARG A 18 -4.630 8.117 11.875 1.00 0.00 C ATOM 223 CG ARG A 18 -4.678 6.800 12.631 1.00 0.00 C ATOM 224 CD ARG A 18 -5.859 5.948 12.191 1.00 0.00 C ATOM 225 NE ARG A 18 -6.373 5.121 13.279 1.00 0.00 N ATOM 226 CZ ARG A 18 -7.257 4.144 13.106 1.00 0.00 C ATOM 227 NH1 ARG A 18 -7.721 3.874 11.894 1.00 0.00 N ATOM 228 NH2 ARG A 18 -7.677 3.436 14.146 1.00 0.00 N ATOM 0 H ARG A 18 -4.206 6.207 9.290 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.682 7.701 10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.722 8.652 12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.472 8.735 12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.751 6.251 12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.748 6.996 13.701 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.654 6.595 11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.556 5.309 11.362 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.035 5.303 14.224 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.400 4.417 11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.399 3.124 11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.321 3.641 15.080 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.356 2.686 14.012 1.00 0.00 H new ATOM 242 N GLN A 19 -3.989 9.196 8.384 1.00 0.00 N ATOM 243 CA GLN A 19 -3.596 10.377 7.625 1.00 0.00 C ATOM 244 C GLN A 19 -4.588 10.656 6.501 1.00 0.00 C ATOM 245 O GLN A 19 -5.159 9.744 5.903 1.00 0.00 O ATOM 246 CB GLN A 19 -2.192 10.194 7.048 1.00 0.00 C ATOM 247 CG GLN A 19 -1.138 9.881 8.098 1.00 0.00 C ATOM 248 CD GLN A 19 -1.190 10.832 9.278 1.00 0.00 C ATOM 249 OE1 GLN A 19 -1.787 10.383 10.375 1.00 0.00 O flip ATOM 250 NE2 GLN A 19 -0.699 11.959 9.204 1.00 0.00 N flip ATOM 0 H GLN A 19 -4.025 8.336 7.837 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.594 11.230 8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.212 9.388 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.905 11.102 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.276 8.860 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.150 9.929 7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.249 12.264 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.742 12.588 10.006 1.00 0.00 H new ATOM 259 N PRO A 20 -4.800 11.947 6.205 1.00 0.00 N ATOM 260 CA PRO A 20 -5.724 12.377 5.150 1.00 0.00 C ATOM 261 C PRO A 20 -5.207 12.041 3.756 1.00 0.00 C ATOM 262 O PRO A 20 -5.892 11.383 2.972 1.00 0.00 O ATOM 263 CB PRO A 20 -5.800 13.894 5.341 1.00 0.00 C ATOM 264 CG PRO A 20 -4.515 14.257 6.003 1.00 0.00 C ATOM 265 CD PRO A 20 -4.154 13.087 6.877 1.00 0.00 C ATOM 0 HA PRO A 20 -6.689 11.876 5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.913 14.408 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.655 14.173 5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.736 14.448 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.624 15.167 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.074 12.954 6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.524 13.216 7.894 1.00 0.00 H new ATOM 273 N TYR A 21 -3.997 12.496 3.452 1.00 0.00 N ATOM 274 CA TYR A 21 -3.390 12.245 2.151 1.00 0.00 C ATOM 275 C TYR A 21 -1.973 12.808 2.093 1.00 0.00 C ATOM 276 O TYR A 21 -1.558 13.565 2.969 1.00 0.00 O ATOM 277 CB TYR A 21 -4.242 12.861 1.040 1.00 0.00 C ATOM 278 CG TYR A 21 -3.575 12.839 -0.317 1.00 0.00 C ATOM 279 CD1 TYR A 21 -3.511 11.668 -1.063 1.00 0.00 C ATOM 280 CD2 TYR A 21 -3.011 13.989 -0.854 1.00 0.00 C ATOM 281 CE1 TYR A 21 -2.903 11.643 -2.303 1.00 0.00 C ATOM 282 CE2 TYR A 21 -2.401 13.974 -2.094 1.00 0.00 C ATOM 283 CZ TYR A 21 -2.350 12.799 -2.814 1.00 0.00 C ATOM 284 OH TYR A 21 -1.744 12.778 -4.049 1.00 0.00 O ATOM 0 H TYR A 21 -3.417 13.041 4.090 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.339 11.166 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.188 12.324 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.477 13.892 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.944 10.762 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.050 14.911 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.861 10.724 -2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.967 14.877 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.622 13.696 -4.369 1.00 0.00 H new ATOM 294 N ASN A 22 -1.237 12.433 1.052 1.00 0.00 N ATOM 295 CA ASN A 22 0.134 12.900 0.877 1.00 0.00 C ATOM 296 C ASN A 22 0.540 12.858 -0.593 1.00 0.00 C ATOM 297 O ASN A 22 0.782 11.788 -1.151 1.00 0.00 O ATOM 298 CB ASN A 22 1.095 12.048 1.708 1.00 0.00 C ATOM 299 CG ASN A 22 0.829 12.161 3.197 1.00 0.00 C ATOM 300 OD1 ASN A 22 -0.205 11.708 3.690 1.00 0.00 O ATOM 301 ND2 ASN A 22 1.762 12.767 3.920 1.00 0.00 N ATOM 0 H ASN A 22 -1.567 11.807 0.317 1.00 0.00 H new ATOM 0 HA ASN A 22 0.186 13.933 1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.007 11.005 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.120 12.355 1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.638 12.873 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.603 13.127 3.469 1.00 0.00 H new ATOM 308 N VAL A 23 0.613 14.031 -1.215 1.00 0.00 N ATOM 309 CA VAL A 23 0.991 14.129 -2.619 1.00 0.00 C ATOM 310 C VAL A 23 2.447 13.725 -2.826 1.00 0.00 C ATOM 311 O VAL A 23 2.818 13.222 -3.886 1.00 0.00 O ATOM 312 CB VAL A 23 0.785 15.557 -3.158 1.00 0.00 C ATOM 313 CG1 VAL A 23 1.724 16.531 -2.463 1.00 0.00 C ATOM 314 CG2 VAL A 23 0.987 15.592 -4.665 1.00 0.00 C ATOM 0 H VAL A 23 0.415 14.926 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 23 0.345 13.444 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.239 15.863 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.564 17.535 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.525 16.526 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.757 16.231 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.838 16.609 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.999 15.266 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.269 14.926 -5.144 1.00 0.00 H new ATOM 324 N ASN A 24 3.268 13.949 -1.805 1.00 0.00 N ATOM 325 CA ASN A 24 4.684 13.608 -1.874 1.00 0.00 C ATOM 326 C ASN A 24 4.882 12.096 -1.838 1.00 0.00 C ATOM 327 O ASN A 24 5.760 11.557 -2.514 1.00 0.00 O ATOM 328 CB ASN A 24 5.444 14.261 -0.718 1.00 0.00 C ATOM 329 CG ASN A 24 5.766 15.718 -0.987 1.00 0.00 C ATOM 330 OD1 ASN A 24 6.851 16.047 -1.466 1.00 0.00 O ATOM 331 ND2 ASN A 24 4.821 16.599 -0.679 1.00 0.00 N ATOM 0 H ASN A 24 2.977 14.365 -0.920 1.00 0.00 H new ATOM 0 HA ASN A 24 5.077 13.985 -2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.850 14.185 0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.370 13.714 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.980 17.594 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.936 16.281 -0.284 1.00 0.00 H new ATOM 338 N HIS A 25 4.061 11.415 -1.045 1.00 0.00 N ATOM 339 CA HIS A 25 4.145 9.964 -0.921 1.00 0.00 C ATOM 340 C HIS A 25 3.078 9.284 -1.775 1.00 0.00 C ATOM 341 O HIS A 25 1.908 9.665 -1.744 1.00 0.00 O ATOM 342 CB HIS A 25 3.988 9.546 0.541 1.00 0.00 C ATOM 343 CG HIS A 25 4.889 10.290 1.477 1.00 0.00 C ATOM 344 ND1 HIS A 25 4.493 10.711 2.729 1.00 0.00 N ATOM 345 CD2 HIS A 25 6.176 10.687 1.339 1.00 0.00 C ATOM 346 CE1 HIS A 25 5.496 11.336 3.319 1.00 0.00 C ATOM 347 NE2 HIS A 25 6.529 11.335 2.497 1.00 0.00 N ATOM 0 H HIS A 25 3.330 11.845 -0.478 1.00 0.00 H new ATOM 0 HA HIS A 25 5.126 9.649 -1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.953 9.702 0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.189 8.478 0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 25 6.808 10.524 0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.475 11.774 4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 25 7.441 11.748 2.691 1.00 0.00 H new ATOM 356 N PHE A 26 3.491 8.276 -2.535 1.00 0.00 N ATOM 357 CA PHE A 26 2.572 7.543 -3.399 1.00 0.00 C ATOM 358 C PHE A 26 1.331 7.106 -2.625 1.00 0.00 C ATOM 359 O PHE A 26 1.366 6.968 -1.403 1.00 0.00 O ATOM 360 CB PHE A 26 3.268 6.321 -4.001 1.00 0.00 C ATOM 361 CG PHE A 26 2.358 5.139 -4.178 1.00 0.00 C ATOM 362 CD1 PHE A 26 2.065 4.308 -3.109 1.00 0.00 C ATOM 363 CD2 PHE A 26 1.797 4.859 -5.413 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.228 3.220 -3.268 1.00 0.00 C ATOM 365 CE2 PHE A 26 0.959 3.773 -5.578 1.00 0.00 C ATOM 366 CZ PHE A 26 0.675 2.951 -4.505 1.00 0.00 C ATOM 0 H PHE A 26 4.456 7.947 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 26 2.262 8.208 -4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.689 6.593 -4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.101 6.035 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.496 4.513 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.017 5.497 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.006 2.581 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.526 3.567 -6.546 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.022 2.100 -4.633 1.00 0.00 H new ATOM 376 N MET A 27 0.237 6.891 -3.348 1.00 0.00 N ATOM 377 CA MET A 27 -1.015 6.469 -2.730 1.00 0.00 C ATOM 378 C MET A 27 -1.952 5.855 -3.765 1.00 0.00 C ATOM 379 O MET A 27 -1.998 6.296 -4.914 1.00 0.00 O ATOM 380 CB MET A 27 -1.698 7.656 -2.048 1.00 0.00 C ATOM 381 CG MET A 27 -1.322 7.813 -0.583 1.00 0.00 C ATOM 382 SD MET A 27 -2.516 8.802 0.338 1.00 0.00 S ATOM 383 CE MET A 27 -3.484 7.517 1.125 1.00 0.00 C ATOM 0 H MET A 27 0.192 7.002 -4.361 1.00 0.00 H new ATOM 0 HA MET A 27 -0.784 5.712 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.438 8.570 -2.582 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.779 7.537 -2.127 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.242 6.827 -0.125 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.339 8.278 -0.512 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.419 7.939 1.493 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.700 6.730 0.402 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.922 7.098 1.960 1.00 0.00 H new ATOM 393 N ILE A 28 -2.698 4.836 -3.351 1.00 0.00 N ATOM 394 CA ILE A 28 -3.634 4.163 -4.243 1.00 0.00 C ATOM 395 C ILE A 28 -5.059 4.245 -3.708 1.00 0.00 C ATOM 396 O ILE A 28 -5.301 4.819 -2.647 1.00 0.00 O ATOM 397 CB ILE A 28 -3.257 2.683 -4.442 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.314 2.220 -3.329 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.615 2.478 -5.806 1.00 0.00 C ATOM 400 CD1 ILE A 28 -2.929 2.291 -1.949 1.00 0.00 C ATOM 0 H ILE A 28 -2.672 4.459 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.579 4.676 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.166 2.083 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.006 1.194 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.413 2.833 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.354 1.427 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.316 2.773 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.714 3.087 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.205 1.948 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.212 3.320 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.814 1.656 -1.912 1.00 0.00 H new ATOM 412 N GLU A 29 -5.999 3.666 -4.450 1.00 0.00 N ATOM 413 CA GLU A 29 -7.400 3.674 -4.048 1.00 0.00 C ATOM 414 C GLU A 29 -7.996 2.272 -4.126 1.00 0.00 C ATOM 415 O GLU A 29 -7.864 1.584 -5.139 1.00 0.00 O ATOM 416 CB GLU A 29 -8.202 4.631 -4.933 1.00 0.00 C ATOM 417 CG GLU A 29 -9.659 4.762 -4.523 1.00 0.00 C ATOM 418 CD GLU A 29 -10.424 5.742 -5.393 1.00 0.00 C ATOM 419 OE1 GLU A 29 -10.104 5.841 -6.596 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.341 6.409 -4.870 1.00 0.00 O ATOM 0 H GLU A 29 -5.815 3.186 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.453 4.016 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.735 5.616 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.153 4.285 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.137 3.784 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.712 5.086 -3.484 1.00 0.00 H new ATOM 427 N CYS A 30 -8.653 1.853 -3.049 1.00 0.00 N ATOM 428 CA CYS A 30 -9.269 0.533 -2.993 1.00 0.00 C ATOM 429 C CYS A 30 -10.555 0.498 -3.813 1.00 0.00 C ATOM 430 O CYS A 30 -11.413 1.370 -3.680 1.00 0.00 O ATOM 431 CB CYS A 30 -9.565 0.147 -1.543 1.00 0.00 C ATOM 432 SG CYS A 30 -10.457 -1.431 -1.361 1.00 0.00 S ATOM 0 H CYS A 30 -8.772 2.410 -2.203 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.568 -0.186 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.625 0.086 -0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.153 0.940 -1.080 1.00 0.00 H new ATOM 437 N GLY A 31 -10.682 -0.517 -4.663 1.00 0.00 N ATOM 438 CA GLY A 31 -11.866 -0.648 -5.492 1.00 0.00 C ATOM 439 C GLY A 31 -12.979 -1.406 -4.797 1.00 0.00 C ATOM 440 O GLY A 31 -13.827 -2.016 -5.450 1.00 0.00 O ATOM 0 H GLY A 31 -9.986 -1.251 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.224 0.344 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.603 -1.162 -6.417 1.00 0.00 H new ATOM 444 N LEU A 32 -12.979 -1.369 -3.469 1.00 0.00 N ATOM 445 CA LEU A 32 -13.996 -2.059 -2.684 1.00 0.00 C ATOM 446 C LEU A 32 -14.668 -1.104 -1.703 1.00 0.00 C ATOM 447 O LEU A 32 -15.895 -1.033 -1.630 1.00 0.00 O ATOM 448 CB LEU A 32 -13.374 -3.233 -1.925 1.00 0.00 C ATOM 449 CG LEU A 32 -12.690 -4.299 -2.782 1.00 0.00 C ATOM 450 CD1 LEU A 32 -12.172 -5.433 -1.911 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.647 -4.829 -3.839 1.00 0.00 C ATOM 0 H LEU A 32 -12.286 -0.868 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.753 -2.438 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.643 -2.837 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.155 -3.714 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.840 -3.841 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.689 -6.182 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.451 -5.041 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.004 -5.890 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.143 -5.586 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.517 -5.271 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.968 -4.010 -4.483 1.00 0.00 H new ATOM 463 N CYS A 33 -13.856 -0.369 -0.951 1.00 0.00 N ATOM 464 CA CYS A 33 -14.371 0.584 0.025 1.00 0.00 C ATOM 465 C CYS A 33 -14.035 2.016 -0.383 1.00 0.00 C ATOM 466 O CYS A 33 -14.461 2.972 0.264 1.00 0.00 O ATOM 467 CB CYS A 33 -13.794 0.289 1.411 1.00 0.00 C ATOM 468 SG CYS A 33 -11.977 0.400 1.499 1.00 0.00 S ATOM 0 H CYS A 33 -12.838 -0.415 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.455 0.479 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.225 0.987 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -14.101 -0.711 1.715 1.00 0.00 H new ATOM 473 N GLN A 34 -13.268 2.154 -1.460 1.00 0.00 N ATOM 474 CA GLN A 34 -12.875 3.468 -1.954 1.00 0.00 C ATOM 475 C GLN A 34 -12.035 4.209 -0.920 1.00 0.00 C ATOM 476 O GLN A 34 -12.248 5.395 -0.667 1.00 0.00 O ATOM 477 CB GLN A 34 -14.113 4.293 -2.310 1.00 0.00 C ATOM 478 CG GLN A 34 -14.782 3.859 -3.604 1.00 0.00 C ATOM 479 CD GLN A 34 -15.760 4.892 -4.131 1.00 0.00 C ATOM 480 OE1 GLN A 34 -16.970 4.772 -3.938 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.239 5.914 -4.799 1.00 0.00 N ATOM 0 H GLN A 34 -12.907 1.372 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.272 3.326 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.834 4.220 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.829 5.342 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.018 3.670 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.307 2.918 -3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.230 5.973 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.848 6.640 -5.176 1.00 0.00 H new ATOM 490 N ASP A 35 -11.080 3.503 -0.324 1.00 0.00 N ATOM 491 CA ASP A 35 -10.207 4.095 0.683 1.00 0.00 C ATOM 492 C ASP A 35 -8.779 4.216 0.160 1.00 0.00 C ATOM 493 O ASP A 35 -8.252 3.288 -0.454 1.00 0.00 O ATOM 494 CB ASP A 35 -10.226 3.256 1.961 1.00 0.00 C ATOM 495 CG ASP A 35 -11.508 3.434 2.751 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.537 3.793 2.140 1.00 0.00 O ATOM 497 OD2 ASP A 35 -11.483 3.212 3.980 1.00 0.00 O ATOM 0 H ASP A 35 -10.891 2.520 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.578 5.095 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.104 2.204 1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.376 3.531 2.586 1.00 0.00 H new ATOM 502 N TRP A 36 -8.159 5.364 0.408 1.00 0.00 N ATOM 503 CA TRP A 36 -6.792 5.606 -0.039 1.00 0.00 C ATOM 504 C TRP A 36 -5.787 5.163 1.019 1.00 0.00 C ATOM 505 O TRP A 36 -6.018 5.330 2.217 1.00 0.00 O ATOM 506 CB TRP A 36 -6.594 7.089 -0.359 1.00 0.00 C ATOM 507 CG TRP A 36 -7.307 7.528 -1.602 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.633 7.830 -1.723 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.732 7.713 -2.900 1.00 0.00 C ATOM 510 NE1 TRP A 36 -8.917 8.192 -3.018 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.768 8.129 -3.760 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.442 7.570 -3.420 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.552 8.400 -5.108 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -5.230 7.840 -4.759 1.00 0.00 C ATOM 515 CH2 TRP A 36 -6.280 8.252 -5.590 1.00 0.00 C ATOM 0 H TRP A 36 -8.581 6.142 0.916 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.622 5.020 -0.942 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.946 7.685 0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.528 7.291 -0.469 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.353 7.790 -0.919 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -9.835 8.464 -3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.626 7.254 -2.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.360 8.716 -5.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.238 7.731 -5.172 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.081 8.457 -6.632 1.00 0.00 H new ATOM 526 N PHE A 37 -4.671 4.599 0.569 1.00 0.00 N ATOM 527 CA PHE A 37 -3.631 4.131 1.478 1.00 0.00 C ATOM 528 C PHE A 37 -2.244 4.421 0.912 1.00 0.00 C ATOM 529 O PHE A 37 -2.104 4.819 -0.245 1.00 0.00 O ATOM 530 CB PHE A 37 -3.786 2.631 1.735 1.00 0.00 C ATOM 531 CG PHE A 37 -5.152 2.245 2.225 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.217 2.147 1.344 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.372 1.980 3.567 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.475 1.791 1.791 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.628 1.623 4.020 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.682 1.530 3.131 1.00 0.00 C ATOM 0 H PHE A 37 -4.464 4.455 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.739 4.667 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.572 2.089 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.043 2.318 2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.062 2.351 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.553 2.053 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.296 1.717 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.786 1.417 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.665 1.254 3.483 1.00 0.00 H new ATOM 546 N HIS A 38 -1.221 4.220 1.737 1.00 0.00 N ATOM 547 CA HIS A 38 0.156 4.459 1.320 1.00 0.00 C ATOM 548 C HIS A 38 0.805 3.171 0.824 1.00 0.00 C ATOM 549 O HIS A 38 0.414 2.074 1.221 1.00 0.00 O ATOM 550 CB HIS A 38 0.968 5.040 2.477 1.00 0.00 C ATOM 551 CG HIS A 38 0.552 6.426 2.864 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.187 6.772 4.148 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.448 7.557 2.127 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.127 8.055 4.184 1.00 0.00 C ATOM 555 NE2 HIS A 38 0.024 8.555 2.970 1.00 0.00 N ATOM 0 H HIS A 38 -1.320 3.892 2.698 1.00 0.00 H new ATOM 0 HA HIS A 38 0.141 5.177 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.871 4.385 3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.022 5.050 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.659 7.656 1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.452 8.602 5.057 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.147 9.524 2.703 1.00 0.00 H new ATOM 563 N GLY A 39 1.799 3.312 -0.048 1.00 0.00 N ATOM 564 CA GLY A 39 2.486 2.151 -0.585 1.00 0.00 C ATOM 565 C GLY A 39 3.343 1.454 0.453 1.00 0.00 C ATOM 566 O GLY A 39 3.622 0.261 0.337 1.00 0.00 O ATOM 0 H GLY A 39 2.141 4.209 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.752 1.447 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.113 2.458 -1.422 1.00 0.00 H new ATOM 570 N SER A 40 3.764 2.200 1.469 1.00 0.00 N ATOM 571 CA SER A 40 4.600 1.648 2.529 1.00 0.00 C ATOM 572 C SER A 40 3.745 0.987 3.605 1.00 0.00 C ATOM 573 O SER A 40 4.171 0.028 4.250 1.00 0.00 O ATOM 574 CB SER A 40 5.464 2.747 3.150 1.00 0.00 C ATOM 575 OG SER A 40 6.482 2.194 3.966 1.00 0.00 O ATOM 0 H SER A 40 3.540 3.189 1.581 1.00 0.00 H new ATOM 0 HA SER A 40 5.249 0.891 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.913 3.350 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.839 3.413 3.744 1.00 0.00 H new ATOM 0 HG SER A 40 7.022 2.916 4.350 1.00 0.00 H new ATOM 581 N CYS A 41 2.537 1.506 3.795 1.00 0.00 N ATOM 582 CA CYS A 41 1.621 0.968 4.793 1.00 0.00 C ATOM 583 C CYS A 41 0.917 -0.281 4.269 1.00 0.00 C ATOM 584 O CYS A 41 0.536 -1.161 5.040 1.00 0.00 O ATOM 585 CB CYS A 41 0.585 2.023 5.186 1.00 0.00 C ATOM 586 SG CYS A 41 1.277 3.443 6.094 1.00 0.00 S ATOM 0 H CYS A 41 2.169 2.300 3.270 1.00 0.00 H new ATOM 0 HA CYS A 41 2.203 0.694 5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.093 2.387 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.183 1.552 5.800 1.00 0.00 H new ATOM 591 N VAL A 42 0.750 -0.350 2.953 1.00 0.00 N ATOM 592 CA VAL A 42 0.094 -1.491 2.325 1.00 0.00 C ATOM 593 C VAL A 42 1.110 -2.408 1.653 1.00 0.00 C ATOM 594 O VAL A 42 0.969 -3.630 1.675 1.00 0.00 O ATOM 595 CB VAL A 42 -0.942 -1.037 1.279 1.00 0.00 C ATOM 596 CG1 VAL A 42 -1.933 -0.062 1.896 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.247 -0.414 0.077 1.00 0.00 C ATOM 0 H VAL A 42 1.060 0.370 2.301 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.416 -2.038 3.118 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.495 -1.912 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.657 0.247 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.454 -0.547 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.399 0.813 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.994 -0.099 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.333 0.451 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.418 -1.147 -0.379 1.00 0.00 H new ATOM 607 N GLY A 43 2.136 -1.809 1.055 1.00 0.00 N ATOM 608 CA GLY A 43 3.162 -2.586 0.386 1.00 0.00 C ATOM 609 C GLY A 43 3.038 -2.532 -1.124 1.00 0.00 C ATOM 610 O GLY A 43 3.270 -3.528 -1.809 1.00 0.00 O ATOM 0 H GLY A 43 2.274 -0.799 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.144 -2.215 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.101 -3.623 0.716 1.00 0.00 H new ATOM 614 N ILE A 44 2.670 -1.366 -1.644 1.00 0.00 N ATOM 615 CA ILE A 44 2.515 -1.186 -3.082 1.00 0.00 C ATOM 616 C ILE A 44 3.408 -0.061 -3.595 1.00 0.00 C ATOM 617 O ILE A 44 3.547 0.977 -2.949 1.00 0.00 O ATOM 618 CB ILE A 44 1.053 -0.877 -3.457 1.00 0.00 C ATOM 619 CG1 ILE A 44 0.163 -2.088 -3.171 1.00 0.00 C ATOM 620 CG2 ILE A 44 0.955 -0.474 -4.921 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.316 -1.772 -3.201 1.00 0.00 C ATOM 0 H ILE A 44 2.474 -0.532 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 44 2.811 -2.124 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 44 0.706 -0.043 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.375 -2.866 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.420 -2.494 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.084 -0.259 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.561 0.415 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.317 -1.289 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.886 -2.677 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.542 -1.017 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.587 -1.394 -4.187 1.00 0.00 H new ATOM 633 N GLU A 45 4.010 -0.276 -4.761 1.00 0.00 N ATOM 634 CA GLU A 45 4.889 0.721 -5.360 1.00 0.00 C ATOM 635 C GLU A 45 4.188 1.447 -6.505 1.00 0.00 C ATOM 636 O GLU A 45 3.337 0.876 -7.186 1.00 0.00 O ATOM 637 CB GLU A 45 6.172 0.061 -5.871 1.00 0.00 C ATOM 638 CG GLU A 45 7.138 -0.327 -4.764 1.00 0.00 C ATOM 639 CD GLU A 45 8.113 -1.407 -5.193 1.00 0.00 C ATOM 640 OE1 GLU A 45 7.662 -2.412 -5.781 1.00 0.00 O ATOM 641 OE2 GLU A 45 9.325 -1.246 -4.942 1.00 0.00 O ATOM 0 H GLU A 45 3.905 -1.130 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 45 5.145 1.451 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.910 -0.830 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.674 0.744 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.695 0.555 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.573 -0.675 -3.899 1.00 0.00 H new ATOM 648 N GLU A 46 4.551 2.710 -6.708 1.00 0.00 N ATOM 649 CA GLU A 46 3.956 3.514 -7.769 1.00 0.00 C ATOM 650 C GLU A 46 4.119 2.833 -9.125 1.00 0.00 C ATOM 651 O GLU A 46 3.188 2.798 -9.928 1.00 0.00 O ATOM 652 CB GLU A 46 4.594 4.904 -7.804 1.00 0.00 C ATOM 653 CG GLU A 46 3.750 5.943 -8.523 1.00 0.00 C ATOM 654 CD GLU A 46 4.213 7.361 -8.250 1.00 0.00 C ATOM 655 OE1 GLU A 46 5.356 7.696 -8.623 1.00 0.00 O ATOM 656 OE2 GLU A 46 3.430 8.136 -7.662 1.00 0.00 O ATOM 0 H GLU A 46 5.253 3.198 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 46 2.891 3.616 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.774 5.238 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.566 4.836 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.784 5.754 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.710 5.838 -8.214 1.00 0.00 H new ATOM 663 N GLU A 47 5.309 2.293 -9.371 1.00 0.00 N ATOM 664 CA GLU A 47 5.593 1.615 -10.629 1.00 0.00 C ATOM 665 C GLU A 47 4.724 0.370 -10.785 1.00 0.00 C ATOM 666 O GLU A 47 4.527 -0.127 -11.893 1.00 0.00 O ATOM 667 CB GLU A 47 7.073 1.230 -10.704 1.00 0.00 C ATOM 668 CG GLU A 47 7.569 0.481 -9.479 1.00 0.00 C ATOM 669 CD GLU A 47 8.117 1.407 -8.411 1.00 0.00 C ATOM 670 OE1 GLU A 47 7.795 2.613 -8.450 1.00 0.00 O ATOM 671 OE2 GLU A 47 8.868 0.927 -7.536 1.00 0.00 O ATOM 0 H GLU A 47 6.091 2.312 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 47 5.362 2.303 -11.443 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.235 0.612 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.669 2.134 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.751 -0.106 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.346 -0.223 -9.778 1.00 0.00 H new ATOM 678 N ASN A 48 4.209 -0.128 -9.666 1.00 0.00 N ATOM 679 CA ASN A 48 3.362 -1.315 -9.678 1.00 0.00 C ATOM 680 C ASN A 48 1.886 -0.930 -9.713 1.00 0.00 C ATOM 681 O ASN A 48 1.045 -1.697 -10.183 1.00 0.00 O ATOM 682 CB ASN A 48 3.645 -2.181 -8.448 1.00 0.00 C ATOM 683 CG ASN A 48 4.998 -2.862 -8.520 1.00 0.00 C ATOM 684 OD1 ASN A 48 5.557 -3.044 -9.601 1.00 0.00 O ATOM 685 ND2 ASN A 48 5.532 -3.240 -7.364 1.00 0.00 N ATOM 0 H ASN A 48 4.363 0.271 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 48 3.592 -1.886 -10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.600 -1.561 -7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.865 -2.937 -8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.441 -3.702 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.033 -3.069 -6.491 1.00 0.00 H new ATOM 692 N ALA A 49 1.579 0.262 -9.214 1.00 0.00 N ATOM 693 CA ALA A 49 0.205 0.750 -9.191 1.00 0.00 C ATOM 694 C ALA A 49 -0.361 0.864 -10.602 1.00 0.00 C ATOM 695 O ALA A 49 -1.516 0.518 -10.848 1.00 0.00 O ATOM 696 CB ALA A 49 0.135 2.095 -8.482 1.00 0.00 C ATOM 0 H ALA A 49 2.263 0.908 -8.820 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.401 0.030 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.896 2.448 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.491 1.985 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.760 2.817 -9.008 1.00 0.00 H new ATOM 702 N VAL A 50 0.461 1.351 -11.527 1.00 0.00 N ATOM 703 CA VAL A 50 0.042 1.510 -12.914 1.00 0.00 C ATOM 704 C VAL A 50 -0.386 0.175 -13.515 1.00 0.00 C ATOM 705 O VAL A 50 -0.995 0.131 -14.584 1.00 0.00 O ATOM 706 CB VAL A 50 1.169 2.110 -13.775 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.425 1.257 -13.682 1.00 0.00 C ATOM 708 CG2 VAL A 50 0.716 2.251 -15.221 1.00 0.00 C ATOM 0 H VAL A 50 1.421 1.642 -11.340 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.807 2.194 -12.912 1.00 0.00 H new ATOM 0 HB VAL A 50 1.405 3.103 -13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.210 1.697 -14.297 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.758 1.212 -12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.208 0.250 -14.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.524 2.677 -15.816 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.452 1.270 -15.617 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.153 2.907 -15.268 1.00 0.00 H new ATOM 718 N ASP A 51 -0.064 -0.910 -12.821 1.00 0.00 N ATOM 719 CA ASP A 51 -0.416 -2.247 -13.285 1.00 0.00 C ATOM 720 C ASP A 51 -1.573 -2.818 -12.470 1.00 0.00 C ATOM 721 O ASP A 51 -2.126 -3.865 -12.808 1.00 0.00 O ATOM 722 CB ASP A 51 0.794 -3.177 -13.195 1.00 0.00 C ATOM 723 CG ASP A 51 1.704 -3.062 -14.402 1.00 0.00 C ATOM 724 OD1 ASP A 51 1.668 -2.010 -15.075 1.00 0.00 O ATOM 725 OD2 ASP A 51 2.452 -4.024 -14.675 1.00 0.00 O ATOM 0 H ASP A 51 0.440 -0.890 -11.935 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.730 -2.172 -14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.361 -2.945 -12.293 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.451 -4.207 -13.099 1.00 0.00 H new ATOM 730 N ILE A 52 -1.933 -2.123 -11.396 1.00 0.00 N ATOM 731 CA ILE A 52 -3.024 -2.560 -10.534 1.00 0.00 C ATOM 732 C ILE A 52 -4.350 -1.949 -10.972 1.00 0.00 C ATOM 733 O ILE A 52 -4.640 -0.790 -10.671 1.00 0.00 O ATOM 734 CB ILE A 52 -2.761 -2.190 -9.062 1.00 0.00 C ATOM 735 CG1 ILE A 52 -1.512 -2.909 -8.548 1.00 0.00 C ATOM 736 CG2 ILE A 52 -3.969 -2.537 -8.205 1.00 0.00 C ATOM 737 CD1 ILE A 52 -0.998 -2.362 -7.234 1.00 0.00 C ATOM 0 H ILE A 52 -1.485 -1.255 -11.102 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.081 -3.645 -10.623 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.591 -1.115 -8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.736 -3.969 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.724 -2.832 -9.297 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.768 -2.270 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.838 -1.984 -8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.168 -3.607 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.112 -2.919 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.742 -1.309 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.770 -2.464 -6.471 1.00 0.00 H new ATOM 749 N ASP A 53 -5.152 -2.735 -11.681 1.00 0.00 N ATOM 750 CA ASP A 53 -6.450 -2.271 -12.158 1.00 0.00 C ATOM 751 C ASP A 53 -7.367 -1.926 -10.989 1.00 0.00 C ATOM 752 O ASP A 53 -7.979 -0.857 -10.962 1.00 0.00 O ATOM 753 CB ASP A 53 -7.105 -3.338 -13.037 1.00 0.00 C ATOM 754 CG ASP A 53 -8.049 -2.743 -14.064 1.00 0.00 C ATOM 755 OD1 ASP A 53 -7.618 -1.843 -14.815 1.00 0.00 O ATOM 756 OD2 ASP A 53 -9.218 -3.179 -14.117 1.00 0.00 O ATOM 0 H ASP A 53 -4.927 -3.696 -11.938 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.291 -1.370 -12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.330 -3.909 -13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.653 -4.038 -12.406 1.00 0.00 H new ATOM 761 N ILE A 54 -7.457 -2.836 -10.025 1.00 0.00 N ATOM 762 CA ILE A 54 -8.299 -2.627 -8.854 1.00 0.00 C ATOM 763 C ILE A 54 -7.562 -3.000 -7.573 1.00 0.00 C ATOM 764 O ILE A 54 -7.489 -4.173 -7.206 1.00 0.00 O ATOM 765 CB ILE A 54 -9.600 -3.446 -8.942 1.00 0.00 C ATOM 766 CG1 ILE A 54 -10.309 -3.178 -10.271 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.514 -3.117 -7.771 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.647 -3.872 -10.393 1.00 0.00 C ATOM 0 H ILE A 54 -6.957 -3.725 -10.032 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.549 -1.566 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.348 -4.505 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.454 -2.104 -10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.665 -3.502 -11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.429 -3.704 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.007 -3.355 -6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.761 -2.056 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.092 -3.637 -11.360 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.507 -4.950 -10.310 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.308 -3.530 -9.597 1.00 0.00 H new ATOM 780 N TYR A 55 -7.018 -1.996 -6.895 1.00 0.00 N ATOM 781 CA TYR A 55 -6.285 -2.218 -5.655 1.00 0.00 C ATOM 782 C TYR A 55 -7.228 -2.641 -4.533 1.00 0.00 C ATOM 783 O TYR A 55 -8.336 -2.118 -4.407 1.00 0.00 O ATOM 784 CB TYR A 55 -5.529 -0.952 -5.250 1.00 0.00 C ATOM 785 CG TYR A 55 -5.149 -0.915 -3.787 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.245 -1.829 -3.260 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.694 0.035 -2.932 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.896 -1.799 -1.924 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.349 0.074 -1.594 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.451 -0.846 -1.095 1.00 0.00 C ATOM 791 OH TYR A 55 -4.104 -0.812 0.236 1.00 0.00 O ATOM 0 H TYR A 55 -7.071 -1.019 -7.184 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.569 -3.022 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.625 -0.870 -5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.145 -0.082 -5.479 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.808 -2.576 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.399 0.755 -3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.192 -2.518 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.780 0.820 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.743 -0.254 0.727 1.00 0.00 H new ATOM 801 N HIS A 56 -6.781 -3.593 -3.720 1.00 0.00 N ATOM 802 CA HIS A 56 -7.584 -4.087 -2.606 1.00 0.00 C ATOM 803 C HIS A 56 -6.886 -3.825 -1.275 1.00 0.00 C ATOM 804 O HIS A 56 -5.873 -4.450 -0.960 1.00 0.00 O ATOM 805 CB HIS A 56 -7.853 -5.583 -2.769 1.00 0.00 C ATOM 806 CG HIS A 56 -8.916 -5.894 -3.778 1.00 0.00 C ATOM 807 ND1 HIS A 56 -9.412 -7.165 -3.981 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.578 -5.091 -4.643 1.00 0.00 C ATOM 809 CE1 HIS A 56 -10.332 -7.130 -4.928 1.00 0.00 C ATOM 810 NE2 HIS A 56 -10.452 -5.883 -5.346 1.00 0.00 N ATOM 0 H HIS A 56 -5.868 -4.038 -3.811 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.534 -3.552 -2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.928 -6.080 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.146 -5.998 -1.805 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -9.115 -8.001 -3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.444 -4.026 -4.759 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.891 -7.977 -5.298 1.00 0.00 H new ATOM 819 N CYS A 57 -7.434 -2.897 -0.498 1.00 0.00 N ATOM 820 CA CYS A 57 -6.865 -2.551 0.799 1.00 0.00 C ATOM 821 C CYS A 57 -6.671 -3.797 1.658 1.00 0.00 C ATOM 822 O CYS A 57 -7.333 -4.818 1.473 1.00 0.00 O ATOM 823 CB CYS A 57 -7.768 -1.552 1.526 1.00 0.00 C ATOM 824 SG CYS A 57 -9.261 -2.297 2.258 1.00 0.00 S ATOM 0 H CYS A 57 -8.272 -2.371 -0.744 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.891 -2.093 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.193 -1.066 2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.069 -0.774 0.825 1.00 0.00 H new ATOM 829 N PRO A 58 -5.740 -3.713 2.620 1.00 0.00 N ATOM 830 CA PRO A 58 -5.437 -4.824 3.527 1.00 0.00 C ATOM 831 C PRO A 58 -6.571 -5.095 4.511 1.00 0.00 C ATOM 832 O PRO A 58 -6.420 -5.883 5.444 1.00 0.00 O ATOM 833 CB PRO A 58 -4.188 -4.344 4.270 1.00 0.00 C ATOM 834 CG PRO A 58 -4.259 -2.857 4.210 1.00 0.00 C ATOM 835 CD PRO A 58 -4.913 -2.526 2.897 1.00 0.00 C ATOM 0 HA PRO A 58 -5.296 -5.762 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.180 -4.699 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.279 -4.716 3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.837 -2.460 5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.264 -2.416 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.518 -1.622 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.176 -2.357 2.112 1.00 0.00 H new ATOM 843 N ASP A 59 -7.705 -4.437 4.295 1.00 0.00 N ATOM 844 CA ASP A 59 -8.865 -4.609 5.162 1.00 0.00 C ATOM 845 C ASP A 59 -9.964 -5.391 4.450 1.00 0.00 C ATOM 846 O ASP A 59 -10.763 -6.079 5.086 1.00 0.00 O ATOM 847 CB ASP A 59 -9.399 -3.247 5.610 1.00 0.00 C ATOM 848 CG ASP A 59 -10.898 -3.260 5.838 1.00 0.00 C ATOM 849 OD1 ASP A 59 -11.329 -3.708 6.920 1.00 0.00 O ATOM 850 OD2 ASP A 59 -11.639 -2.822 4.933 1.00 0.00 O ATOM 0 H ASP A 59 -7.846 -3.780 3.527 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.552 -5.175 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.897 -2.948 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.155 -2.498 4.856 1.00 0.00 H new ATOM 855 N CYS A 60 -9.999 -5.280 3.126 1.00 0.00 N ATOM 856 CA CYS A 60 -11.001 -5.976 2.327 1.00 0.00 C ATOM 857 C CYS A 60 -10.464 -7.313 1.826 1.00 0.00 C ATOM 858 O CYS A 60 -11.211 -8.282 1.694 1.00 0.00 O ATOM 859 CB CYS A 60 -11.429 -5.109 1.141 1.00 0.00 C ATOM 860 SG CYS A 60 -12.163 -3.510 1.615 1.00 0.00 S ATOM 0 H CYS A 60 -9.345 -4.715 2.584 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.867 -6.167 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.561 -4.925 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.150 -5.664 0.541 1.00 0.00 H new ATOM 865 N GLU A 61 -9.165 -7.357 1.550 1.00 0.00 N ATOM 866 CA GLU A 61 -8.529 -8.576 1.063 1.00 0.00 C ATOM 867 C GLU A 61 -8.790 -9.742 2.011 1.00 0.00 C ATOM 868 O GLU A 61 -8.745 -10.905 1.610 1.00 0.00 O ATOM 869 CB GLU A 61 -7.022 -8.362 0.902 1.00 0.00 C ATOM 870 CG GLU A 61 -6.238 -9.654 0.745 1.00 0.00 C ATOM 871 CD GLU A 61 -4.754 -9.470 0.996 1.00 0.00 C ATOM 872 OE1 GLU A 61 -4.276 -8.319 0.907 1.00 0.00 O ATOM 873 OE2 GLU A 61 -4.070 -10.475 1.280 1.00 0.00 O ATOM 0 H GLU A 61 -8.532 -6.564 1.655 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.960 -8.817 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.844 -7.731 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.645 -7.821 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.630 -10.399 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.387 -10.045 -0.262 1.00 0.00 H new ATOM 880 N ALA A 62 -9.064 -9.422 3.272 1.00 0.00 N ATOM 881 CA ALA A 62 -9.334 -10.442 4.278 1.00 0.00 C ATOM 882 C ALA A 62 -10.693 -11.093 4.048 1.00 0.00 C ATOM 883 O ALA A 62 -11.078 -12.020 4.761 1.00 0.00 O ATOM 884 CB ALA A 62 -9.264 -9.839 5.673 1.00 0.00 C ATOM 0 H ALA A 62 -9.105 -8.464 3.621 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.571 -11.215 4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.468 -10.612 6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.269 -9.427 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.005 -9.045 5.764 1.00 0.00 H new ATOM 890 N VAL A 63 -11.418 -10.602 3.047 1.00 0.00 N ATOM 891 CA VAL A 63 -12.735 -11.137 2.723 1.00 0.00 C ATOM 892 C VAL A 63 -12.893 -11.335 1.220 1.00 0.00 C ATOM 893 O VAL A 63 -13.283 -12.409 0.762 1.00 0.00 O ATOM 894 CB VAL A 63 -13.857 -10.210 3.229 1.00 0.00 C ATOM 895 CG1 VAL A 63 -15.213 -10.884 3.083 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.605 -9.809 4.674 1.00 0.00 C ATOM 0 H VAL A 63 -11.115 -9.835 2.447 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.817 -12.102 3.224 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.860 -9.306 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.993 -10.214 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.393 -11.116 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -15.226 -11.805 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.407 -9.154 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.574 -10.701 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.653 -9.283 4.745 1.00 0.00 H new ATOM 906 N PHE A 64 -12.588 -10.291 0.456 1.00 0.00 N ATOM 907 CA PHE A 64 -12.696 -10.350 -0.997 1.00 0.00 C ATOM 908 C PHE A 64 -11.554 -11.166 -1.595 1.00 0.00 C ATOM 909 O PHE A 64 -11.770 -12.021 -2.452 1.00 0.00 O ATOM 910 CB PHE A 64 -12.693 -8.938 -1.587 1.00 0.00 C ATOM 911 CG PHE A 64 -14.011 -8.230 -1.453 1.00 0.00 C ATOM 912 CD1 PHE A 64 -14.354 -7.594 -0.271 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.907 -8.200 -2.510 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.565 -6.941 -0.145 1.00 0.00 C ATOM 915 CE2 PHE A 64 -16.120 -7.549 -2.389 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.450 -6.919 -1.205 1.00 0.00 C ATOM 0 H PHE A 64 -12.264 -9.394 0.819 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.638 -10.839 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.921 -8.348 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.425 -8.994 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.667 -7.609 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.654 -8.691 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.819 -6.448 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.810 -7.533 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.398 -6.410 -1.108 1.00 0.00 H new ATOM 926 N GLY A 65 -10.336 -10.893 -1.136 1.00 0.00 N ATOM 927 CA GLY A 65 -9.177 -11.609 -1.637 1.00 0.00 C ATOM 928 C GLY A 65 -8.105 -10.678 -2.166 1.00 0.00 C ATOM 929 O GLY A 65 -7.957 -9.544 -1.710 1.00 0.00 O ATOM 0 H GLY A 65 -10.131 -10.189 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.760 -12.222 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.488 -12.288 -2.431 1.00 0.00 H new ATOM 933 N PRO A 66 -7.332 -11.159 -3.152 1.00 0.00 N ATOM 934 CA PRO A 66 -6.253 -10.378 -3.764 1.00 0.00 C ATOM 935 C PRO A 66 -6.780 -9.223 -4.608 1.00 0.00 C ATOM 936 O PRO A 66 -7.978 -9.134 -4.877 1.00 0.00 O ATOM 937 CB PRO A 66 -5.532 -11.400 -4.646 1.00 0.00 C ATOM 938 CG PRO A 66 -6.564 -12.428 -4.955 1.00 0.00 C ATOM 939 CD PRO A 66 -7.452 -12.501 -3.744 1.00 0.00 C ATOM 0 HA PRO A 66 -5.612 -9.913 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.149 -10.938 -5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.679 -11.838 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.135 -12.153 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.103 -13.394 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.483 -12.730 -4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.124 -13.276 -3.052 1.00 0.00 H new ATOM 947 N SER A 67 -5.878 -8.340 -5.025 1.00 0.00 N ATOM 948 CA SER A 67 -6.254 -7.189 -5.837 1.00 0.00 C ATOM 949 C SER A 67 -6.171 -7.521 -7.323 1.00 0.00 C ATOM 950 O SER A 67 -5.301 -8.280 -7.753 1.00 0.00 O ATOM 951 CB SER A 67 -5.349 -5.997 -5.518 1.00 0.00 C ATOM 952 OG SER A 67 -3.986 -6.319 -5.734 1.00 0.00 O ATOM 0 H SER A 67 -4.882 -8.400 -4.814 1.00 0.00 H new ATOM 0 HA SER A 67 -7.285 -6.929 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.628 -5.147 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.494 -5.693 -4.481 1.00 0.00 H new ATOM 0 HG SER A 67 -3.429 -5.540 -5.525 1.00 0.00 H new ATOM 958 N ILE A 68 -7.081 -6.949 -8.103 1.00 0.00 N ATOM 959 CA ILE A 68 -7.111 -7.183 -9.542 1.00 0.00 C ATOM 960 C ILE A 68 -6.031 -6.376 -10.253 1.00 0.00 C ATOM 961 O ILE A 68 -5.686 -5.273 -9.829 1.00 0.00 O ATOM 962 CB ILE A 68 -8.483 -6.825 -10.142 1.00 0.00 C ATOM 963 CG1 ILE A 68 -9.608 -7.397 -9.277 1.00 0.00 C ATOM 964 CG2 ILE A 68 -8.589 -7.343 -11.569 1.00 0.00 C ATOM 965 CD1 ILE A 68 -9.503 -8.890 -9.059 1.00 0.00 C ATOM 0 H ILE A 68 -7.808 -6.320 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.924 -8.246 -9.693 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.582 -5.740 -10.162 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.602 -6.895 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.566 -7.173 -9.746 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.565 -7.082 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.806 -6.892 -12.179 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.472 -8.427 -11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.333 -9.226 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.539 -9.402 -10.021 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.561 -9.120 -8.561 1.00 0.00 H new ATOM 977 N MET A 69 -5.502 -6.932 -11.338 1.00 0.00 N ATOM 978 CA MET A 69 -4.462 -6.261 -12.110 1.00 0.00 C ATOM 979 C MET A 69 -4.973 -5.886 -13.498 1.00 0.00 C ATOM 980 O MET A 69 -5.921 -6.486 -14.005 1.00 0.00 O ATOM 981 CB MET A 69 -3.229 -7.158 -12.233 1.00 0.00 C ATOM 982 CG MET A 69 -2.611 -7.528 -10.894 1.00 0.00 C ATOM 983 SD MET A 69 -1.641 -6.185 -10.182 1.00 0.00 S ATOM 984 CE MET A 69 -0.123 -6.328 -11.122 1.00 0.00 C ATOM 0 H MET A 69 -5.776 -7.844 -11.702 1.00 0.00 H new ATOM 0 HA MET A 69 -4.186 -5.347 -11.584 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.505 -8.071 -12.761 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.480 -6.651 -12.842 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.402 -7.808 -10.198 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.974 -8.403 -11.022 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.580 -5.562 -10.796 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.313 -7.314 -10.961 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.338 -6.196 -12.182 1.00 0.00 H new ATOM 994 N LYS A 70 -4.339 -4.890 -14.107 1.00 0.00 N ATOM 995 CA LYS A 70 -4.727 -4.435 -15.437 1.00 0.00 C ATOM 996 C LYS A 70 -4.390 -5.484 -16.491 1.00 0.00 C ATOM 997 O LYS A 70 -3.907 -6.569 -16.169 1.00 0.00 O ATOM 998 CB LYS A 70 -4.026 -3.117 -15.772 1.00 0.00 C ATOM 999 CG LYS A 70 -4.277 -2.018 -14.753 1.00 0.00 C ATOM 1000 CD LYS A 70 -3.895 -0.653 -15.299 1.00 0.00 C ATOM 1001 CE LYS A 70 -3.715 0.364 -14.183 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.368 1.712 -14.711 1.00 0.00 N ATOM 0 H LYS A 70 -3.554 -4.382 -13.700 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.805 -4.277 -15.439 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.953 -3.294 -15.846 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.361 -2.776 -16.752 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.330 -2.016 -14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.705 -2.222 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.971 -0.735 -15.871 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.666 -0.307 -15.987 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.633 0.428 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.930 0.026 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.660 2.439 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.341 1.772 -14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.861 1.869 -15.613 1.00 0.00 H new ATOM 1016 N ASN A 71 -4.647 -5.153 -17.753 1.00 0.00 N ATOM 1017 CA ASN A 71 -4.369 -6.067 -18.854 1.00 0.00 C ATOM 1018 C ASN A 71 -3.624 -5.354 -19.978 1.00 0.00 C ATOM 1019 O ASN A 71 -3.917 -5.557 -21.157 1.00 0.00 O ATOM 1020 CB ASN A 71 -5.672 -6.664 -19.390 1.00 0.00 C ATOM 1021 CG ASN A 71 -5.442 -7.933 -20.189 1.00 0.00 C ATOM 1022 OD1 ASN A 71 -5.161 -8.991 -19.627 1.00 0.00 O ATOM 1023 ND2 ASN A 71 -5.560 -7.830 -21.508 1.00 0.00 N ATOM 0 H ASN A 71 -5.047 -4.259 -18.038 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.737 -6.870 -18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.340 -6.879 -18.556 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.174 -5.928 -20.018 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.416 -8.649 -22.098 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.795 -6.932 -21.930 1.00 0.00 H new ATOM 1030 N TRP A 72 -2.660 -4.520 -19.605 1.00 0.00 N ATOM 1031 CA TRP A 72 -1.872 -3.777 -20.582 1.00 0.00 C ATOM 1032 C TRP A 72 -0.537 -3.342 -19.987 1.00 0.00 C ATOM 1033 O TRP A 72 -0.469 -2.921 -18.832 1.00 0.00 O ATOM 1034 CB TRP A 72 -2.650 -2.554 -21.071 1.00 0.00 C ATOM 1035 CG TRP A 72 -2.868 -1.524 -20.005 1.00 0.00 C ATOM 1036 CD1 TRP A 72 -3.985 -1.365 -19.235 1.00 0.00 C ATOM 1037 CD2 TRP A 72 -1.947 -0.508 -19.593 1.00 0.00 C ATOM 1038 NE1 TRP A 72 -3.813 -0.312 -18.369 1.00 0.00 N ATOM 1039 CE2 TRP A 72 -2.571 0.229 -18.568 1.00 0.00 C ATOM 1040 CE3 TRP A 72 -0.655 -0.152 -19.988 1.00 0.00 C ATOM 1041 CZ2 TRP A 72 -1.946 1.302 -17.937 1.00 0.00 C ATOM 1042 CZ3 TRP A 72 -0.036 0.913 -19.361 1.00 0.00 C ATOM 1043 CH2 TRP A 72 -0.681 1.629 -18.344 1.00 0.00 C ATOM 0 H TRP A 72 -2.405 -4.341 -18.634 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.674 -4.435 -21.428 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.112 -2.098 -21.902 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.617 -2.878 -21.457 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.873 -1.977 -19.298 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.499 0.014 -17.688 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.149 -0.699 -20.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.442 1.856 -17.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.962 1.198 -19.660 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.170 2.455 -17.872 1.00 0.00 H new ATOM 1054 N HIS A 73 0.522 -3.446 -20.783 1.00 0.00 N ATOM 1055 CA HIS A 73 1.856 -3.061 -20.334 1.00 0.00 C ATOM 1056 C HIS A 73 2.504 -2.094 -21.320 1.00 0.00 C ATOM 1057 O HIS A 73 2.634 -2.396 -22.506 1.00 0.00 O ATOM 1058 CB HIS A 73 2.736 -4.300 -20.163 1.00 0.00 C ATOM 1059 CG HIS A 73 3.883 -4.094 -19.222 1.00 0.00 C ATOM 1060 ND1 HIS A 73 5.196 -4.032 -19.639 1.00 0.00 N ATOM 1061 CD2 HIS A 73 3.908 -3.935 -17.878 1.00 0.00 C ATOM 1062 CE1 HIS A 73 5.980 -3.845 -18.591 1.00 0.00 C ATOM 1063 NE2 HIS A 73 5.222 -3.782 -17.511 1.00 0.00 N ATOM 0 H HIS A 73 0.483 -3.793 -21.741 1.00 0.00 H new ATOM 0 HA HIS A 73 1.758 -2.558 -19.372 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.122 -5.124 -19.800 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.125 -4.597 -21.137 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.054 -3.930 -17.218 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.056 -3.759 -18.614 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.559 -3.642 -16.558 1.00 0.00 H new ATOM 1072 N SER A 74 2.907 -0.930 -20.822 1.00 0.00 N ATOM 1073 CA SER A 74 3.537 0.083 -21.660 1.00 0.00 C ATOM 1074 C SER A 74 4.960 -0.325 -22.029 1.00 0.00 C ATOM 1075 O SER A 74 5.239 -0.677 -23.175 1.00 0.00 O ATOM 1076 CB SER A 74 3.552 1.433 -20.940 1.00 0.00 C ATOM 1077 OG SER A 74 4.214 2.417 -21.716 1.00 0.00 O ATOM 0 H SER A 74 2.808 -0.665 -19.842 1.00 0.00 H new ATOM 0 HA SER A 74 2.955 0.174 -22.577 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.530 1.752 -20.737 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.050 1.329 -19.976 1.00 0.00 H new ATOM 0 HG SER A 74 4.209 3.271 -21.235 1.00 0.00 H new ATOM 1083 N GLY A 75 5.857 -0.275 -21.049 1.00 0.00 N ATOM 1084 CA GLY A 75 7.240 -0.642 -21.290 1.00 0.00 C ATOM 1085 C GLY A 75 8.216 0.356 -20.698 1.00 0.00 C ATOM 1086 O GLY A 75 8.857 1.127 -21.411 1.00 0.00 O ATOM 0 H GLY A 75 5.651 0.013 -20.093 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.430 -1.628 -20.865 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.410 -0.719 -22.364 1.00 0.00 H new ATOM 1090 N PRO A 76 8.337 0.349 -19.362 1.00 0.00 N ATOM 1091 CA PRO A 76 9.239 1.255 -18.645 1.00 0.00 C ATOM 1092 C PRO A 76 10.707 0.916 -18.877 1.00 0.00 C ATOM 1093 O PRO A 76 11.066 -0.250 -19.041 1.00 0.00 O ATOM 1094 CB PRO A 76 8.866 1.038 -17.176 1.00 0.00 C ATOM 1095 CG PRO A 76 8.295 -0.338 -17.130 1.00 0.00 C ATOM 1096 CD PRO A 76 7.603 -0.543 -18.449 1.00 0.00 C ATOM 0 HA PRO A 76 9.130 2.287 -18.979 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.738 1.127 -16.529 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.142 1.779 -16.838 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.079 -1.081 -16.981 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.595 -0.442 -16.301 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.656 -1.582 -18.773 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.547 -0.280 -18.394 1.00 0.00 H new ATOM 1104 N SER A 77 11.552 1.942 -18.890 1.00 0.00 N ATOM 1105 CA SER A 77 12.982 1.752 -19.106 1.00 0.00 C ATOM 1106 C SER A 77 13.564 0.790 -18.075 1.00 0.00 C ATOM 1107 O SER A 77 13.923 1.192 -16.968 1.00 0.00 O ATOM 1108 CB SER A 77 13.712 3.095 -19.037 1.00 0.00 C ATOM 1109 OG SER A 77 13.519 3.842 -20.226 1.00 0.00 O ATOM 0 H SER A 77 11.271 2.913 -18.754 1.00 0.00 H new ATOM 0 HA SER A 77 13.121 1.321 -20.098 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.350 3.666 -18.182 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.777 2.926 -18.879 1.00 0.00 H new ATOM 0 HG SER A 77 13.994 4.696 -20.156 1.00 0.00 H new ATOM 1115 N SER A 78 13.654 -0.483 -18.447 1.00 0.00 N ATOM 1116 CA SER A 78 14.188 -1.504 -17.554 1.00 0.00 C ATOM 1117 C SER A 78 15.512 -2.049 -18.083 1.00 0.00 C ATOM 1118 O SER A 78 15.870 -1.826 -19.238 1.00 0.00 O ATOM 1119 CB SER A 78 13.183 -2.645 -17.390 1.00 0.00 C ATOM 1120 OG SER A 78 12.968 -3.316 -18.619 1.00 0.00 O ATOM 0 H SER A 78 13.364 -0.832 -19.361 1.00 0.00 H new ATOM 0 HA SER A 78 14.366 -1.044 -16.582 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.549 -3.352 -16.645 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.238 -2.250 -17.017 1.00 0.00 H new ATOM 0 HG SER A 78 12.323 -4.042 -18.487 1.00 0.00 H new ATOM 1126 N GLY A 79 16.234 -2.766 -17.227 1.00 0.00 N ATOM 1127 CA GLY A 79 17.509 -3.332 -17.625 1.00 0.00 C ATOM 1128 C GLY A 79 18.517 -3.344 -16.493 1.00 0.00 C ATOM 1129 O GLY A 79 19.220 -2.352 -16.306 1.00 0.00 O ATOM 0 H GLY A 79 15.958 -2.965 -16.265 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.355 -4.351 -17.981 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.912 -2.759 -18.460 1.00 0.00 H new TER 1133 GLY A 79 HETATM 1134 ZN ZN A 201 -0.280 5.106 5.704 1.00 0.00 ZN HETATM 1135 ZN ZN A 401 -11.015 -1.628 0.885 1.00 0.00 ZN