USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 616 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 Single : A 1 MET CE :methyl -107:sc=-0.00879 (180deg=-0.449) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0511 (180deg=0.0112) USER MOD Single : A 6 THR OG1 : rot 9:sc= -0.169 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -39:sc= 0.801 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00367 X(o=-0.0037,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.244 USER MOD Single : A 48 ASN : amide:sc= 0.0889 K(o=0.089,f=-9!) USER MOD Single : A 49 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5.2!) USER MOD Single : A 51 SER OG : rot -13:sc= -0.0412! USER MOD Single : A 56 THR OG1 : rot -98:sc= -0.203! USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.326 (180deg=-1.28!) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc=-0.00801 (180deg=-0.225) USER MOD Single : A 61 GLN : amide:sc= -0.0234 K(o=-0.023,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0063 F(o=-1.4!,f=-0.0063) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.345 USER MOD Single : A 73 SER OG : rot -22:sc= 0.301 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.778 4.019 -0.707 1.00 0.00 N ATOM 2 CA MET A 1 -13.005 2.744 -0.669 1.00 0.00 C ATOM 3 C MET A 1 -11.914 2.856 0.391 1.00 0.00 C ATOM 4 O MET A 1 -11.327 3.925 0.564 1.00 0.00 O ATOM 5 CB MET A 1 -12.375 2.498 -2.042 1.00 0.00 C ATOM 6 CG MET A 1 -11.584 1.189 -2.011 1.00 0.00 C ATOM 7 SD MET A 1 -11.064 0.754 -3.691 1.00 0.00 S ATOM 8 CE MET A 1 -9.691 1.923 -3.841 1.00 0.00 C ATOM 0 H1 MET A 1 -13.907 4.317 -1.695 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.708 3.874 -0.265 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.259 4.755 -0.188 1.00 0.00 H new ATOM 0 HA MET A 1 -13.665 1.912 -0.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.150 2.449 -2.807 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.718 3.327 -2.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.712 1.294 -1.365 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.197 0.392 -1.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.974 2.733 -4.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.453 2.333 -2.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.817 1.408 -4.240 1.00 0.00 H new ATOM 20 N ARG A 2 -11.642 1.758 1.106 1.00 0.00 N ATOM 21 CA ARG A 2 -10.611 1.766 2.155 1.00 0.00 C ATOM 22 C ARG A 2 -9.595 0.644 1.923 1.00 0.00 C ATOM 23 O ARG A 2 -9.966 -0.496 1.646 1.00 0.00 O ATOM 24 CB ARG A 2 -11.270 1.581 3.521 1.00 0.00 C ATOM 25 CG ARG A 2 -12.066 2.837 3.880 1.00 0.00 C ATOM 26 CD ARG A 2 -12.722 2.647 5.248 1.00 0.00 C ATOM 27 NE ARG A 2 -13.623 1.500 5.216 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.358 1.172 6.274 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.813 1.127 7.458 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.624 0.891 6.125 1.00 0.00 N ATOM 0 H ARG A 2 -12.114 0.862 0.981 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.089 2.722 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.929 0.713 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.511 1.390 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.408 3.706 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.826 3.028 3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.957 2.497 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.274 3.546 5.523 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.690 0.940 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.823 1.344 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.377 0.875 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.048 0.923 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.189 0.639 6.936 1.00 0.00 H new ATOM 44 N ILE A 3 -8.314 0.985 2.030 1.00 0.00 N ATOM 45 CA ILE A 3 -7.232 0.013 1.823 1.00 0.00 C ATOM 46 C ILE A 3 -6.389 -0.128 3.087 1.00 0.00 C ATOM 47 O ILE A 3 -5.886 0.866 3.610 1.00 0.00 O ATOM 48 CB ILE A 3 -6.321 0.509 0.703 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.129 0.657 -0.588 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.192 -0.499 0.476 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.306 1.438 -1.612 1.00 0.00 C ATOM 0 H ILE A 3 -7.994 1.926 2.259 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.676 -0.949 1.569 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.900 1.474 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.386 -0.325 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.067 1.175 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.542 -0.144 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.612 -0.609 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.616 -1.464 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.879 1.545 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.071 2.425 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.380 0.901 -1.821 1.00 0.00 H new ATOM 63 N GLU A 4 -6.232 -1.360 3.575 1.00 0.00 N ATOM 64 CA GLU A 4 -5.430 -1.601 4.785 1.00 0.00 C ATOM 65 C GLU A 4 -4.310 -2.609 4.527 1.00 0.00 C ATOM 66 O GLU A 4 -4.542 -3.693 3.989 1.00 0.00 O ATOM 67 CB GLU A 4 -6.327 -2.107 5.919 1.00 0.00 C ATOM 68 CG GLU A 4 -7.309 -1.006 6.323 1.00 0.00 C ATOM 69 CD GLU A 4 -8.208 -1.498 7.453 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.213 -2.692 7.705 1.00 0.00 O ATOM 71 OE2 GLU A 4 -8.879 -0.672 8.049 1.00 0.00 O ATOM 0 H GLU A 4 -6.641 -2.198 3.161 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.974 -0.654 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.872 -2.995 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.719 -2.399 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.762 -0.119 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.915 -0.715 5.465 1.00 0.00 H new ATOM 78 N VAL A 5 -3.089 -2.230 4.912 1.00 0.00 N ATOM 79 CA VAL A 5 -1.912 -3.094 4.716 1.00 0.00 C ATOM 80 C VAL A 5 -1.247 -3.431 6.052 1.00 0.00 C ATOM 81 O VAL A 5 -0.993 -2.550 6.871 1.00 0.00 O ATOM 82 CB VAL A 5 -0.895 -2.390 3.816 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.182 -3.384 3.371 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.607 -1.809 2.590 1.00 0.00 C ATOM 0 H VAL A 5 -2.885 -1.336 5.359 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.248 -4.019 4.248 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.422 -1.581 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.903 -2.876 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.693 -3.783 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.283 -4.201 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.880 -1.308 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.087 -2.614 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.361 -1.092 2.913 1.00 0.00 H new ATOM 94 N THR A 6 -0.953 -4.720 6.259 1.00 0.00 N ATOM 95 CA THR A 6 -0.297 -5.180 7.492 1.00 0.00 C ATOM 96 C THR A 6 1.026 -5.848 7.163 1.00 0.00 C ATOM 97 O THR A 6 1.128 -6.642 6.227 1.00 0.00 O ATOM 98 CB THR A 6 -1.205 -6.159 8.235 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.763 -7.075 7.307 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.327 -5.390 8.938 1.00 0.00 C ATOM 0 H THR A 6 -1.158 -5.463 5.591 1.00 0.00 H new ATOM 0 HA THR A 6 -0.107 -4.318 8.131 1.00 0.00 H new ATOM 0 HB THR A 6 -0.624 -6.702 8.980 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.333 -6.959 6.434 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.973 -6.091 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.895 -4.686 9.650 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.913 -4.844 8.198 1.00 0.00 H new ATOM 108 N ILE A 7 2.037 -5.520 7.956 1.00 0.00 N ATOM 109 CA ILE A 7 3.375 -6.073 7.793 1.00 0.00 C ATOM 110 C ILE A 7 3.764 -6.880 9.035 1.00 0.00 C ATOM 111 O ILE A 7 3.588 -6.422 10.163 1.00 0.00 O ATOM 112 CB ILE A 7 4.345 -4.916 7.590 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.150 -4.331 6.188 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.793 -5.401 7.754 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.918 -3.015 6.067 1.00 0.00 C ATOM 0 H ILE A 7 1.953 -4.862 8.731 1.00 0.00 H new ATOM 0 HA ILE A 7 3.405 -6.741 6.932 1.00 0.00 H new ATOM 0 HB ILE A 7 4.147 -4.148 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.501 -5.038 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.090 -4.163 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.476 -4.564 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.929 -5.808 8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.003 -6.175 7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.777 -2.602 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.546 -2.307 6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.979 -3.196 6.238 1.00 0.00 H new ATOM 127 N ALA A 8 4.291 -8.084 8.821 1.00 0.00 N ATOM 128 CA ALA A 8 4.695 -8.943 9.931 1.00 0.00 C ATOM 129 C ALA A 8 5.846 -8.330 10.707 1.00 0.00 C ATOM 130 O ALA A 8 6.829 -7.842 10.149 1.00 0.00 O ATOM 131 CB ALA A 8 5.124 -10.304 9.389 1.00 0.00 C ATOM 0 H ALA A 8 4.447 -8.484 7.896 1.00 0.00 H new ATOM 0 HA ALA A 8 3.845 -9.055 10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.426 -10.946 10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.290 -10.764 8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.963 -10.175 8.705 1.00 0.00 H new ATOM 137 N LYS A 9 5.669 -8.372 12.019 1.00 0.00 N ATOM 138 CA LYS A 9 6.635 -7.835 12.962 1.00 0.00 C ATOM 139 C LYS A 9 7.986 -8.534 12.816 1.00 0.00 C ATOM 140 O LYS A 9 9.024 -7.947 13.118 1.00 0.00 O ATOM 141 CB LYS A 9 6.113 -7.970 14.406 1.00 0.00 C ATOM 142 CG LYS A 9 5.033 -6.926 14.744 1.00 0.00 C ATOM 143 CD LYS A 9 4.537 -7.159 16.172 1.00 0.00 C ATOM 144 CE LYS A 9 3.457 -6.129 16.509 1.00 0.00 C ATOM 145 NZ LYS A 9 2.927 -6.392 17.878 1.00 0.00 N ATOM 0 H LYS A 9 4.846 -8.782 12.461 1.00 0.00 H new ATOM 0 HA LYS A 9 6.773 -6.777 12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.704 -8.970 14.549 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.946 -7.864 15.101 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.440 -5.920 14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.203 -7.003 14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.136 -8.168 16.269 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.366 -7.076 16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.871 -5.122 16.455 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.649 -6.181 15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.193 -5.692 18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.517 -7.347 17.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.701 -6.321 18.569 1.00 0.00 H new ATOM 159 N THR A 10 7.982 -9.775 12.331 1.00 0.00 N ATOM 160 CA THR A 10 9.226 -10.510 12.130 1.00 0.00 C ATOM 161 C THR A 10 10.104 -9.760 11.135 1.00 0.00 C ATOM 162 O THR A 10 11.280 -10.089 10.972 1.00 0.00 O ATOM 163 CB THR A 10 8.929 -11.915 11.593 1.00 0.00 C ATOM 164 OG1 THR A 10 8.046 -11.820 10.484 1.00 0.00 O ATOM 165 CG2 THR A 10 8.282 -12.772 12.688 1.00 0.00 C ATOM 0 H THR A 10 7.139 -10.287 12.073 1.00 0.00 H new ATOM 0 HA THR A 10 9.745 -10.598 13.085 1.00 0.00 H new ATOM 0 HB THR A 10 9.863 -12.382 11.281 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.857 -12.717 10.139 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.075 -13.768 12.296 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.961 -12.850 13.537 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.350 -12.308 13.010 1.00 0.00 H new ATOM 173 N SER A 11 9.538 -8.754 10.466 1.00 0.00 N ATOM 174 CA SER A 11 10.293 -7.964 9.482 1.00 0.00 C ATOM 175 C SER A 11 10.244 -6.471 9.824 1.00 0.00 C ATOM 176 O SER A 11 9.469 -5.719 9.234 1.00 0.00 O ATOM 177 CB SER A 11 9.698 -8.181 8.090 1.00 0.00 C ATOM 178 OG SER A 11 9.801 -9.556 7.744 1.00 0.00 O ATOM 0 H SER A 11 8.567 -8.466 10.584 1.00 0.00 H new ATOM 0 HA SER A 11 11.332 -8.292 9.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.654 -7.868 8.075 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.225 -7.569 7.357 1.00 0.00 H new ATOM 0 HG SER A 11 9.419 -9.699 6.853 1.00 0.00 H new ATOM 184 N PRO A 12 11.060 -6.031 10.756 1.00 0.00 N ATOM 185 CA PRO A 12 11.119 -4.603 11.174 1.00 0.00 C ATOM 186 C PRO A 12 11.747 -3.689 10.116 1.00 0.00 C ATOM 187 O PRO A 12 12.796 -4.002 9.552 1.00 0.00 O ATOM 188 CB PRO A 12 11.897 -4.596 12.508 1.00 0.00 C ATOM 189 CG PRO A 12 12.247 -6.036 12.802 1.00 0.00 C ATOM 190 CD PRO A 12 12.022 -6.839 11.512 1.00 0.00 C ATOM 0 HA PRO A 12 10.117 -4.192 11.297 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.796 -3.985 12.430 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.292 -4.172 13.309 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.283 -6.119 13.130 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.625 -6.425 13.609 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.951 -6.975 10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.629 -7.833 11.724 1.00 0.00 H new ATOM 198 N LEU A 13 11.096 -2.550 9.857 1.00 0.00 N ATOM 199 CA LEU A 13 11.584 -1.580 8.875 1.00 0.00 C ATOM 200 C LEU A 13 12.052 -0.305 9.601 1.00 0.00 C ATOM 201 O LEU A 13 11.524 0.024 10.663 1.00 0.00 O ATOM 202 CB LEU A 13 10.455 -1.254 7.894 1.00 0.00 C ATOM 203 CG LEU A 13 9.824 -2.559 7.369 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.793 -2.237 6.279 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.910 -3.475 6.779 1.00 0.00 C ATOM 0 H LEU A 13 10.227 -2.278 10.316 1.00 0.00 H new ATOM 0 HA LEU A 13 12.427 -1.996 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.697 -0.646 8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.843 -0.667 7.062 1.00 0.00 H new ATOM 0 HG LEU A 13 9.335 -3.067 8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.350 -3.163 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.011 -1.601 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.284 -1.718 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.451 -4.393 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.409 -2.964 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.640 -3.718 7.551 1.00 0.00 H new ATOM 217 N PRO A 14 13.042 0.399 9.085 1.00 0.00 N ATOM 218 CA PRO A 14 13.570 1.624 9.758 1.00 0.00 C ATOM 219 C PRO A 14 12.469 2.610 10.182 1.00 0.00 C ATOM 220 O PRO A 14 11.391 2.672 9.590 1.00 0.00 O ATOM 221 CB PRO A 14 14.568 2.251 8.759 1.00 0.00 C ATOM 222 CG PRO A 14 14.580 1.366 7.533 1.00 0.00 C ATOM 223 CD PRO A 14 13.763 0.098 7.840 1.00 0.00 C ATOM 0 HA PRO A 14 14.055 1.364 10.699 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.267 3.266 8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.564 2.316 9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.154 1.894 6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.603 1.102 7.266 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.071 -0.131 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.412 -0.770 7.960 1.00 0.00 H new ATOM 231 N ALA A 15 12.785 3.352 11.241 1.00 0.00 N ATOM 232 CA ALA A 15 11.881 4.342 11.835 1.00 0.00 C ATOM 233 C ALA A 15 11.447 5.432 10.843 1.00 0.00 C ATOM 234 O ALA A 15 11.598 6.620 11.125 1.00 0.00 O ATOM 235 CB ALA A 15 12.600 5.005 13.011 1.00 0.00 C ATOM 0 H ALA A 15 13.684 3.284 11.718 1.00 0.00 H new ATOM 0 HA ALA A 15 10.979 3.817 12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.944 5.746 13.468 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.863 4.248 13.750 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.507 5.494 12.654 1.00 0.00 H new ATOM 241 N GLY A 16 10.915 5.036 9.691 1.00 0.00 N ATOM 242 CA GLY A 16 10.475 6.006 8.684 1.00 0.00 C ATOM 243 C GLY A 16 9.789 5.297 7.527 1.00 0.00 C ATOM 244 O GLY A 16 9.110 5.913 6.704 1.00 0.00 O ATOM 0 H GLY A 16 10.777 4.060 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.790 6.723 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.331 6.571 8.316 1.00 0.00 H new ATOM 248 N ALA A 17 10.002 3.994 7.476 1.00 0.00 N ATOM 249 CA ALA A 17 9.452 3.142 6.434 1.00 0.00 C ATOM 250 C ALA A 17 7.929 3.043 6.420 1.00 0.00 C ATOM 251 O ALA A 17 7.320 3.148 5.355 1.00 0.00 O ATOM 252 CB ALA A 17 10.074 1.754 6.530 1.00 0.00 C ATOM 0 H ALA A 17 10.566 3.492 8.162 1.00 0.00 H new ATOM 0 HA ALA A 17 9.711 3.620 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.661 1.116 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.154 1.830 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.852 1.323 7.506 1.00 0.00 H new ATOM 258 N ILE A 18 7.303 2.801 7.558 1.00 0.00 N ATOM 259 CA ILE A 18 5.853 2.655 7.557 1.00 0.00 C ATOM 260 C ILE A 18 5.182 3.920 7.044 1.00 0.00 C ATOM 261 O ILE A 18 4.322 3.868 6.165 1.00 0.00 O ATOM 262 CB ILE A 18 5.348 2.354 8.976 1.00 0.00 C ATOM 263 CG1 ILE A 18 5.896 1.003 9.476 1.00 0.00 C ATOM 264 CG2 ILE A 18 3.816 2.319 8.994 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.515 -0.150 8.531 1.00 0.00 C ATOM 0 H ILE A 18 7.754 2.703 8.468 1.00 0.00 H new ATOM 0 HA ILE A 18 5.600 1.826 6.896 1.00 0.00 H new ATOM 0 HB ILE A 18 5.703 3.145 9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.981 1.060 9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.507 0.799 10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.469 2.105 10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.426 3.285 8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.462 1.542 8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.919 -1.086 8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.429 -0.223 8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.926 0.041 7.540 1.00 0.00 H new ATOM 277 N ASP A 19 5.582 5.055 7.604 1.00 0.00 N ATOM 278 CA ASP A 19 5.004 6.323 7.191 1.00 0.00 C ATOM 279 C ASP A 19 5.306 6.591 5.723 1.00 0.00 C ATOM 280 O ASP A 19 4.447 7.097 5.000 1.00 0.00 O ATOM 281 CB ASP A 19 5.493 7.479 8.066 1.00 0.00 C ATOM 282 CG ASP A 19 4.900 7.368 9.466 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.937 6.634 9.625 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.413 8.023 10.359 1.00 0.00 O ATOM 0 H ASP A 19 6.292 5.122 8.333 1.00 0.00 H new ATOM 0 HA ASP A 19 3.924 6.253 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.581 7.467 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.208 8.430 7.617 1.00 0.00 H new ATOM 289 N ALA A 20 6.519 6.276 5.269 1.00 0.00 N ATOM 290 CA ALA A 20 6.852 6.533 3.875 1.00 0.00 C ATOM 291 C ALA A 20 6.010 5.665 2.940 1.00 0.00 C ATOM 292 O ALA A 20 5.539 6.129 1.901 1.00 0.00 O ATOM 293 CB ALA A 20 8.349 6.314 3.615 1.00 0.00 C ATOM 0 H ALA A 20 7.263 5.857 5.827 1.00 0.00 H new ATOM 0 HA ALA A 20 6.622 7.578 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.569 6.513 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.930 6.990 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.612 5.283 3.852 1.00 0.00 H new ATOM 299 N LEU A 21 5.829 4.407 3.317 1.00 0.00 N ATOM 300 CA LEU A 21 5.054 3.469 2.529 1.00 0.00 C ATOM 301 C LEU A 21 3.604 3.922 2.368 1.00 0.00 C ATOM 302 O LEU A 21 3.064 3.943 1.262 1.00 0.00 O ATOM 303 CB LEU A 21 5.157 2.095 3.214 1.00 0.00 C ATOM 304 CG LEU A 21 4.128 1.111 2.663 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.301 0.963 1.154 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.323 -0.256 3.329 1.00 0.00 C ATOM 0 H LEU A 21 6.215 4.013 4.175 1.00 0.00 H new ATOM 0 HA LEU A 21 5.453 3.411 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.159 1.691 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.010 2.212 4.288 1.00 0.00 H new ATOM 0 HG LEU A 21 3.127 1.488 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.562 0.259 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.162 1.932 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.303 0.592 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.589 -0.960 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.327 -0.624 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.192 -0.158 4.407 1.00 0.00 H new ATOM 318 N ALA A 22 2.987 4.290 3.482 1.00 0.00 N ATOM 319 CA ALA A 22 1.603 4.748 3.467 1.00 0.00 C ATOM 320 C ALA A 22 1.452 5.985 2.584 1.00 0.00 C ATOM 321 O ALA A 22 0.462 6.113 1.864 1.00 0.00 O ATOM 322 CB ALA A 22 1.124 5.050 4.887 1.00 0.00 C ATOM 0 H ALA A 22 3.420 4.281 4.405 1.00 0.00 H new ATOM 0 HA ALA A 22 0.986 3.951 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.089 5.391 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.191 4.147 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.750 5.828 5.324 1.00 0.00 H new ATOM 328 N GLY A 23 2.414 6.886 2.629 1.00 0.00 N ATOM 329 CA GLY A 23 2.355 8.097 1.814 1.00 0.00 C ATOM 330 C GLY A 23 2.493 7.808 0.323 1.00 0.00 C ATOM 331 O GLY A 23 1.733 8.353 -0.477 1.00 0.00 O ATOM 0 H GLY A 23 3.244 6.809 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.409 8.607 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.148 8.778 2.123 1.00 0.00 H new ATOM 335 N GLU A 24 3.446 6.971 -0.069 1.00 0.00 N ATOM 336 CA GLU A 24 3.606 6.682 -1.492 1.00 0.00 C ATOM 337 C GLU A 24 2.360 5.988 -2.032 1.00 0.00 C ATOM 338 O GLU A 24 1.917 6.266 -3.146 1.00 0.00 O ATOM 339 CB GLU A 24 4.844 5.804 -1.726 1.00 0.00 C ATOM 340 CG GLU A 24 4.995 5.514 -3.225 1.00 0.00 C ATOM 341 CD GLU A 24 6.217 4.645 -3.459 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.428 3.747 -2.666 1.00 0.00 O ATOM 343 OE2 GLU A 24 6.925 4.890 -4.422 1.00 0.00 O ATOM 0 H GLU A 24 4.100 6.494 0.552 1.00 0.00 H new ATOM 0 HA GLU A 24 3.743 7.624 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.735 6.308 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.749 4.870 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.103 5.012 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.090 6.448 -3.778 1.00 0.00 H new ATOM 350 N LEU A 25 1.812 5.073 -1.250 1.00 0.00 N ATOM 351 CA LEU A 25 0.634 4.335 -1.680 1.00 0.00 C ATOM 352 C LEU A 25 -0.585 5.243 -1.853 1.00 0.00 C ATOM 353 O LEU A 25 -1.323 5.108 -2.824 1.00 0.00 O ATOM 354 CB LEU A 25 0.327 3.184 -0.694 1.00 0.00 C ATOM 355 CG LEU A 25 1.089 1.878 -1.060 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.338 1.101 -2.153 1.00 0.00 C ATOM 357 CD2 LEU A 25 2.527 2.171 -1.538 1.00 0.00 C ATOM 0 H LEU A 25 2.159 4.824 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 25 0.856 3.910 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.599 3.491 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.745 2.988 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 25 1.143 1.274 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.887 0.191 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.658 0.840 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.251 1.721 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.027 1.234 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.494 2.808 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.077 2.678 -0.746 1.00 0.00 H new ATOM 369 N SER A 26 -0.798 6.160 -0.925 1.00 0.00 N ATOM 370 CA SER A 26 -1.947 7.058 -1.017 1.00 0.00 C ATOM 371 C SER A 26 -1.906 7.890 -2.293 1.00 0.00 C ATOM 372 O SER A 26 -2.914 8.004 -2.990 1.00 0.00 O ATOM 373 CB SER A 26 -1.958 7.997 0.190 1.00 0.00 C ATOM 374 OG SER A 26 -0.759 8.763 0.198 1.00 0.00 O ATOM 0 H SER A 26 -0.203 6.305 -0.109 1.00 0.00 H new ATOM 0 HA SER A 26 -2.850 6.447 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.825 8.657 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.043 7.422 1.112 1.00 0.00 H new ATOM 0 HG SER A 26 -0.007 8.196 -0.071 1.00 0.00 H new ATOM 380 N ARG A 27 -0.757 8.480 -2.599 1.00 0.00 N ATOM 381 CA ARG A 27 -0.652 9.299 -3.799 1.00 0.00 C ATOM 382 C ARG A 27 -0.963 8.460 -5.037 1.00 0.00 C ATOM 383 O ARG A 27 -1.631 8.931 -5.958 1.00 0.00 O ATOM 384 CB ARG A 27 0.750 9.898 -3.917 1.00 0.00 C ATOM 385 CG ARG A 27 0.946 10.958 -2.832 1.00 0.00 C ATOM 386 CD ARG A 27 2.347 11.562 -2.956 1.00 0.00 C ATOM 387 NE ARG A 27 2.608 12.465 -1.839 1.00 0.00 N ATOM 388 CZ ARG A 27 3.008 12.001 -0.659 1.00 0.00 C ATOM 389 NH1 ARG A 27 3.787 10.955 -0.602 1.00 0.00 N ATOM 390 NH2 ARG A 27 2.621 12.588 0.440 1.00 0.00 N ATOM 0 H ARG A 27 0.098 8.410 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.375 10.111 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.501 9.115 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.885 10.343 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.192 11.739 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.816 10.513 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.093 10.768 -2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.436 12.103 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 27 2.481 13.469 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.088 10.495 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.095 10.597 0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.011 13.404 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.929 12.231 1.345 1.00 0.00 H new ATOM 404 N ARG A 28 -0.482 7.223 -5.061 1.00 0.00 N ATOM 405 CA ARG A 28 -0.729 6.345 -6.201 1.00 0.00 C ATOM 406 C ARG A 28 -2.219 6.029 -6.352 1.00 0.00 C ATOM 407 O ARG A 28 -2.752 5.996 -7.462 1.00 0.00 O ATOM 408 CB ARG A 28 0.081 5.056 -6.040 1.00 0.00 C ATOM 409 CG ARG A 28 -0.151 4.107 -7.222 1.00 0.00 C ATOM 410 CD ARG A 28 0.263 4.759 -8.544 1.00 0.00 C ATOM 411 NE ARG A 28 0.365 3.745 -9.585 1.00 0.00 N ATOM 412 CZ ARG A 28 1.429 2.955 -9.677 1.00 0.00 C ATOM 413 NH1 ARG A 28 2.277 2.882 -8.688 1.00 0.00 N ATOM 414 NH2 ARG A 28 1.625 2.250 -10.756 1.00 0.00 N ATOM 0 H ARG A 28 0.075 6.808 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.412 6.860 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.142 5.296 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.200 4.560 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.418 3.189 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.203 3.826 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.467 5.516 -8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.219 5.268 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.396 3.640 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.123 3.432 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.094 2.275 -8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.962 2.305 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.442 1.643 -10.827 1.00 0.00 H new ATOM 428 N ILE A 29 -2.877 5.799 -5.219 1.00 0.00 N ATOM 429 CA ILE A 29 -4.306 5.485 -5.213 1.00 0.00 C ATOM 430 C ILE A 29 -5.139 6.655 -5.736 1.00 0.00 C ATOM 431 O ILE A 29 -6.029 6.475 -6.565 1.00 0.00 O ATOM 432 CB ILE A 29 -4.758 5.105 -3.790 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.166 3.733 -3.387 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.291 5.056 -3.706 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.639 2.606 -4.326 1.00 0.00 C ATOM 0 H ILE A 29 -2.446 5.824 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.466 4.638 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.393 5.866 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.078 3.788 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.457 3.499 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.591 4.786 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.701 6.034 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.670 4.313 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.201 1.660 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.726 2.533 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.325 2.827 -5.346 1.00 0.00 H new ATOM 447 N GLN A 30 -4.836 7.848 -5.258 1.00 0.00 N ATOM 448 CA GLN A 30 -5.558 9.035 -5.694 1.00 0.00 C ATOM 449 C GLN A 30 -5.407 9.243 -7.194 1.00 0.00 C ATOM 450 O GLN A 30 -6.384 9.575 -7.865 1.00 0.00 O ATOM 451 CB GLN A 30 -5.061 10.267 -4.932 1.00 0.00 C ATOM 452 CG GLN A 30 -5.914 11.489 -5.288 1.00 0.00 C ATOM 453 CD GLN A 30 -5.415 12.710 -4.523 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.221 12.825 -4.247 1.00 0.00 O ATOM 455 NE2 GLN A 30 -6.265 13.629 -4.158 1.00 0.00 N ATOM 0 H GLN A 30 -4.101 8.023 -4.573 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.616 8.890 -5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.107 10.083 -3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.017 10.459 -5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.867 11.677 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.959 11.298 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.254 13.530 -4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.941 14.447 -3.642 1.00 0.00 H new ATOM 464 N TYR A 31 -4.210 9.039 -7.745 1.00 0.00 N ATOM 465 CA TYR A 31 -4.020 9.208 -9.177 1.00 0.00 C ATOM 466 C TYR A 31 -4.837 8.166 -9.937 1.00 0.00 C ATOM 467 O TYR A 31 -5.424 8.462 -10.978 1.00 0.00 O ATOM 468 CB TYR A 31 -2.544 9.079 -9.554 1.00 0.00 C ATOM 469 CG TYR A 31 -2.394 9.255 -11.049 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.367 10.538 -11.610 1.00 0.00 C ATOM 471 CD2 TYR A 31 -2.295 8.129 -11.876 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.239 10.695 -12.997 1.00 0.00 C ATOM 473 CE2 TYR A 31 -2.166 8.285 -13.261 1.00 0.00 C ATOM 474 CZ TYR A 31 -2.138 9.568 -13.823 1.00 0.00 C ATOM 475 OH TYR A 31 -2.010 9.721 -15.189 1.00 0.00 O ATOM 0 H TYR A 31 -3.375 8.762 -7.229 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.359 10.208 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.955 9.829 -9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.163 8.104 -9.251 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.445 11.407 -10.973 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.318 7.139 -11.445 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.218 11.685 -13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.088 7.416 -13.897 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.951 8.839 -15.613 1.00 0.00 H new ATOM 485 N ALA A 32 -4.862 6.946 -9.419 1.00 0.00 N ATOM 486 CA ALA A 32 -5.598 5.860 -10.060 1.00 0.00 C ATOM 487 C ALA A 32 -7.111 6.046 -9.944 1.00 0.00 C ATOM 488 O ALA A 32 -7.864 5.677 -10.845 1.00 0.00 O ATOM 489 CB ALA A 32 -5.194 4.532 -9.414 1.00 0.00 C ATOM 0 H ALA A 32 -4.383 6.681 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.347 5.862 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.740 3.716 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.123 4.375 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.431 4.558 -8.350 1.00 0.00 H new ATOM 495 N PHE A 33 -7.544 6.603 -8.813 1.00 0.00 N ATOM 496 CA PHE A 33 -8.972 6.823 -8.548 1.00 0.00 C ATOM 497 C PHE A 33 -9.256 8.305 -8.291 1.00 0.00 C ATOM 498 O PHE A 33 -9.250 8.749 -7.143 1.00 0.00 O ATOM 499 CB PHE A 33 -9.383 6.012 -7.320 1.00 0.00 C ATOM 500 CG PHE A 33 -9.221 4.539 -7.616 1.00 0.00 C ATOM 501 CD1 PHE A 33 -8.002 3.905 -7.352 1.00 0.00 C ATOM 502 CD2 PHE A 33 -10.286 3.809 -8.157 1.00 0.00 C ATOM 503 CE1 PHE A 33 -7.846 2.542 -7.627 1.00 0.00 C ATOM 504 CE2 PHE A 33 -10.130 2.444 -8.433 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.911 1.810 -8.168 1.00 0.00 C ATOM 0 H PHE A 33 -6.927 6.912 -8.062 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.543 6.506 -9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.770 6.292 -6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.418 6.230 -7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.180 4.469 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.227 4.298 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.904 2.054 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.951 1.881 -8.851 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.791 0.758 -8.380 1.00 0.00 H new ATOM 515 N PRO A 34 -9.498 9.076 -9.323 1.00 0.00 N ATOM 516 CA PRO A 34 -9.780 10.532 -9.179 1.00 0.00 C ATOM 517 C PRO A 34 -11.175 10.836 -8.618 1.00 0.00 C ATOM 518 O PRO A 34 -11.417 11.902 -8.052 1.00 0.00 O ATOM 519 CB PRO A 34 -9.649 11.095 -10.625 1.00 0.00 C ATOM 520 CG PRO A 34 -9.285 9.939 -11.521 1.00 0.00 C ATOM 521 CD PRO A 34 -9.529 8.651 -10.731 1.00 0.00 C ATOM 0 HA PRO A 34 -9.091 10.984 -8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.585 11.551 -10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.885 11.871 -10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.889 9.952 -12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.242 10.007 -11.831 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.488 8.201 -10.990 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.761 7.906 -10.938 1.00 0.00 H new ATOM 529 N ASP A 35 -12.100 9.903 -8.852 1.00 0.00 N ATOM 530 CA ASP A 35 -13.500 10.073 -8.447 1.00 0.00 C ATOM 531 C ASP A 35 -13.846 9.446 -7.087 1.00 0.00 C ATOM 532 O ASP A 35 -14.966 9.642 -6.614 1.00 0.00 O ATOM 533 CB ASP A 35 -14.400 9.441 -9.513 1.00 0.00 C ATOM 534 CG ASP A 35 -14.324 10.247 -10.807 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.917 11.396 -10.744 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.674 9.703 -11.841 1.00 0.00 O ATOM 0 H ASP A 35 -11.905 9.019 -9.321 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.662 11.146 -8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.091 8.412 -9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.430 9.406 -9.157 1.00 0.00 H new ATOM 541 N ASN A 36 -12.949 8.663 -6.470 1.00 0.00 N ATOM 542 CA ASN A 36 -13.285 8.004 -5.184 1.00 0.00 C ATOM 543 C ASN A 36 -12.264 8.280 -4.088 1.00 0.00 C ATOM 544 O ASN A 36 -11.069 8.085 -4.308 1.00 0.00 O ATOM 545 CB ASN A 36 -13.315 6.492 -5.414 1.00 0.00 C ATOM 546 CG ASN A 36 -14.450 6.129 -6.366 1.00 0.00 C ATOM 547 OD1 ASN A 36 -14.220 5.485 -7.390 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.669 6.498 -6.083 1.00 0.00 N ATOM 0 H ASN A 36 -12.011 8.470 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.246 8.402 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.363 6.160 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.447 5.974 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -16.435 6.253 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.856 7.031 -5.234 1.00 0.00 H new ATOM 555 N GLU A 37 -12.698 8.694 -2.905 1.00 0.00 N ATOM 556 CA GLU A 37 -11.767 8.935 -1.808 1.00 0.00 C ATOM 557 C GLU A 37 -11.059 7.640 -1.397 1.00 0.00 C ATOM 558 O GLU A 37 -11.710 6.663 -1.027 1.00 0.00 O ATOM 559 CB GLU A 37 -12.601 9.367 -0.582 1.00 0.00 C ATOM 560 CG GLU A 37 -13.407 10.652 -0.861 1.00 0.00 C ATOM 561 CD GLU A 37 -14.207 11.028 0.381 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.416 10.158 1.212 1.00 0.00 O ATOM 563 OE2 GLU A 37 -14.594 12.179 0.487 1.00 0.00 O ATOM 0 H GLU A 37 -13.678 8.869 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.037 9.680 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.283 8.563 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.939 9.531 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.734 11.465 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.078 10.497 -1.706 1.00 0.00 H new ATOM 570 N GLY A 38 -9.731 7.652 -1.423 1.00 0.00 N ATOM 571 CA GLY A 38 -8.969 6.465 -0.998 1.00 0.00 C ATOM 572 C GLY A 38 -8.229 6.689 0.315 1.00 0.00 C ATOM 573 O GLY A 38 -7.461 7.648 0.407 1.00 0.00 O ATOM 0 H GLY A 38 -9.164 8.444 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.649 5.620 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.252 6.199 -1.775 1.00 0.00 H new ATOM 577 N HIS A 39 -8.412 5.826 1.328 1.00 0.00 N ATOM 578 CA HIS A 39 -7.690 5.999 2.601 1.00 0.00 C ATOM 579 C HIS A 39 -6.792 4.789 2.820 1.00 0.00 C ATOM 580 O HIS A 39 -7.266 3.653 2.776 1.00 0.00 O ATOM 581 CB HIS A 39 -8.686 6.104 3.758 1.00 0.00 C ATOM 582 CG HIS A 39 -9.424 7.412 3.674 1.00 0.00 C ATOM 583 ND1 HIS A 39 -8.801 8.627 3.911 1.00 0.00 N ATOM 584 CD2 HIS A 39 -10.733 7.710 3.390 1.00 0.00 C ATOM 585 CE1 HIS A 39 -9.728 9.592 3.767 1.00 0.00 C ATOM 586 NE2 HIS A 39 -10.923 9.087 3.449 1.00 0.00 N ATOM 0 H HIS A 39 -9.037 5.021 1.295 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.094 6.911 2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.392 5.274 3.720 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.161 6.032 4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.499 6.986 3.156 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.530 10.646 3.893 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.789 9.601 3.285 1.00 0.00 H new ATOM 594 N VAL A 40 -5.494 5.016 3.015 1.00 0.00 N ATOM 595 CA VAL A 40 -4.547 3.922 3.186 1.00 0.00 C ATOM 596 C VAL A 40 -3.954 3.912 4.588 1.00 0.00 C ATOM 597 O VAL A 40 -3.452 4.931 5.064 1.00 0.00 O ATOM 598 CB VAL A 40 -3.428 4.091 2.162 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.498 2.885 2.228 1.00 0.00 C ATOM 600 CG2 VAL A 40 -4.035 4.207 0.755 1.00 0.00 C ATOM 0 H VAL A 40 -5.077 5.946 3.058 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.070 2.977 3.039 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.861 4.995 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.697 3.002 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.069 2.810 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.061 1.979 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.236 4.328 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.602 3.304 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.698 5.071 0.715 1.00 0.00 H new ATOM 610 N SER A 41 -3.987 2.745 5.230 1.00 0.00 N ATOM 611 CA SER A 41 -3.416 2.594 6.574 1.00 0.00 C ATOM 612 C SER A 41 -2.389 1.469 6.578 1.00 0.00 C ATOM 613 O SER A 41 -2.591 0.425 5.957 1.00 0.00 O ATOM 614 CB SER A 41 -4.511 2.327 7.605 1.00 0.00 C ATOM 615 OG SER A 41 -3.919 2.142 8.883 1.00 0.00 O ATOM 0 H SER A 41 -4.399 1.894 4.847 1.00 0.00 H new ATOM 0 HA SER A 41 -2.920 3.525 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.211 3.162 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.082 1.442 7.325 1.00 0.00 H new ATOM 0 HG SER A 41 -4.620 1.972 9.547 1.00 0.00 H new ATOM 621 N VAL A 42 -1.285 1.689 7.296 1.00 0.00 N ATOM 622 CA VAL A 42 -0.223 0.682 7.393 1.00 0.00 C ATOM 623 C VAL A 42 0.139 0.468 8.858 1.00 0.00 C ATOM 624 O VAL A 42 0.379 1.425 9.593 1.00 0.00 O ATOM 625 CB VAL A 42 1.001 1.126 6.590 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.039 0.006 6.557 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.575 1.479 5.162 1.00 0.00 C ATOM 0 H VAL A 42 -1.103 2.548 7.815 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.577 -0.261 6.976 1.00 0.00 H new ATOM 0 HB VAL A 42 1.442 2.003 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.907 0.331 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.346 -0.235 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.606 -0.878 6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.447 1.795 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.128 0.605 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.154 2.289 5.189 1.00 0.00 H new ATOM 637 N ARG A 43 0.151 -0.798 9.288 1.00 0.00 N ATOM 638 CA ARG A 43 0.457 -1.112 10.686 1.00 0.00 C ATOM 639 C ARG A 43 1.108 -2.487 10.833 1.00 0.00 C ATOM 640 O ARG A 43 0.955 -3.356 9.978 1.00 0.00 O ATOM 641 CB ARG A 43 -0.838 -1.062 11.505 1.00 0.00 C ATOM 642 CG ARG A 43 -0.556 -1.427 12.965 1.00 0.00 C ATOM 643 CD ARG A 43 -1.806 -1.169 13.807 1.00 0.00 C ATOM 644 NE ARG A 43 -2.121 0.257 13.819 1.00 0.00 N ATOM 645 CZ ARG A 43 -1.587 1.075 14.722 1.00 0.00 C ATOM 646 NH1 ARG A 43 -0.391 1.563 14.535 1.00 0.00 N ATOM 647 NH2 ARG A 43 -2.261 1.390 15.795 1.00 0.00 N ATOM 0 H ARG A 43 -0.044 -1.608 8.700 1.00 0.00 H new ATOM 0 HA ARG A 43 1.168 -0.372 11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.273 -0.064 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.569 -1.752 11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.265 -2.475 13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.278 -0.837 13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.648 -1.731 13.403 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.646 -1.522 14.826 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.763 0.633 13.121 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.135 1.317 13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.018 2.190 15.228 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.196 1.009 15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.853 2.017 16.488 1.00 0.00 H new ATOM 661 N TYR A 44 1.802 -2.680 11.952 1.00 0.00 N ATOM 662 CA TYR A 44 2.441 -3.961 12.241 1.00 0.00 C ATOM 663 C TYR A 44 1.399 -4.941 12.785 1.00 0.00 C ATOM 664 O TYR A 44 0.570 -4.583 13.622 1.00 0.00 O ATOM 665 CB TYR A 44 3.556 -3.804 13.286 1.00 0.00 C ATOM 666 CG TYR A 44 4.815 -3.218 12.683 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.524 -3.933 11.707 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.296 -1.976 13.125 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.706 -3.408 11.173 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.478 -1.451 12.588 1.00 0.00 C ATOM 671 CZ TYR A 44 7.183 -2.167 11.614 1.00 0.00 C ATOM 672 OH TYR A 44 8.350 -1.650 11.088 1.00 0.00 O ATOM 0 H TYR A 44 1.936 -1.969 12.671 1.00 0.00 H new ATOM 0 HA TYR A 44 2.875 -4.336 11.314 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.208 -3.162 14.095 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.782 -4.776 13.725 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.157 -4.890 11.367 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.754 -1.425 13.880 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.250 -3.960 10.421 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.846 -0.493 12.926 1.00 0.00 H new ATOM 0 HH TYR A 44 8.539 -0.782 11.501 1.00 0.00 H new ATOM 682 N ALA A 45 1.465 -6.188 12.308 1.00 0.00 N ATOM 683 CA ALA A 45 0.550 -7.244 12.743 1.00 0.00 C ATOM 684 C ALA A 45 1.325 -8.555 12.871 1.00 0.00 C ATOM 685 O ALA A 45 2.460 -8.649 12.410 1.00 0.00 O ATOM 686 CB ALA A 45 -0.592 -7.411 11.737 1.00 0.00 C ATOM 0 H ALA A 45 2.149 -6.491 11.615 1.00 0.00 H new ATOM 0 HA ALA A 45 0.122 -6.972 13.708 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.263 -8.200 12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.145 -6.475 11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.182 -7.677 10.762 1.00 0.00 H new ATOM 692 N ALA A 46 0.727 -9.561 13.500 1.00 0.00 N ATOM 693 CA ALA A 46 1.417 -10.839 13.665 1.00 0.00 C ATOM 694 C ALA A 46 1.759 -11.451 12.305 1.00 0.00 C ATOM 695 O ALA A 46 2.697 -12.242 12.201 1.00 0.00 O ATOM 696 CB ALA A 46 0.575 -11.812 14.491 1.00 0.00 C ATOM 0 H ALA A 46 -0.212 -9.522 13.896 1.00 0.00 H new ATOM 0 HA ALA A 46 2.347 -10.651 14.202 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.110 -12.755 14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.388 -11.385 15.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.375 -11.990 13.987 1.00 0.00 H new ATOM 702 N ALA A 47 0.979 -11.128 11.268 1.00 0.00 N ATOM 703 CA ALA A 47 1.215 -11.715 9.940 1.00 0.00 C ATOM 704 C ALA A 47 1.031 -10.711 8.806 1.00 0.00 C ATOM 705 O ALA A 47 0.261 -9.758 8.922 1.00 0.00 O ATOM 706 CB ALA A 47 0.275 -12.902 9.725 1.00 0.00 C ATOM 0 H ALA A 47 0.195 -10.478 11.316 1.00 0.00 H new ATOM 0 HA ALA A 47 2.255 -12.041 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.453 -13.334 8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.460 -13.656 10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.759 -12.564 9.791 1.00 0.00 H new ATOM 712 N ASN A 48 1.715 -10.966 7.690 1.00 0.00 N ATOM 713 CA ASN A 48 1.591 -10.114 6.513 1.00 0.00 C ATOM 714 C ASN A 48 0.232 -10.391 5.871 1.00 0.00 C ATOM 715 O ASN A 48 -0.080 -11.534 5.544 1.00 0.00 O ATOM 716 CB ASN A 48 2.710 -10.430 5.518 1.00 0.00 C ATOM 717 CG ASN A 48 4.056 -10.012 6.101 1.00 0.00 C ATOM 718 OD1 ASN A 48 4.242 -8.854 6.469 1.00 0.00 O ATOM 719 ND2 ASN A 48 5.012 -10.893 6.213 1.00 0.00 N ATOM 0 H ASN A 48 2.356 -11.751 7.579 1.00 0.00 H new ATOM 0 HA ASN A 48 1.670 -9.065 6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.717 -11.496 5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.532 -9.906 4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.913 -10.621 6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.858 -11.854 5.908 1.00 0.00 H new ATOM 726 N ASN A 49 -0.568 -9.344 5.684 1.00 0.00 N ATOM 727 CA ASN A 49 -1.888 -9.485 5.071 1.00 0.00 C ATOM 728 C ASN A 49 -2.274 -8.194 4.352 1.00 0.00 C ATOM 729 O ASN A 49 -1.877 -7.103 4.762 1.00 0.00 O ATOM 730 CB ASN A 49 -2.939 -9.801 6.143 1.00 0.00 C ATOM 731 CG ASN A 49 -2.784 -11.240 6.624 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.343 -12.105 5.868 1.00 0.00 O ATOM 733 ND2 ASN A 49 -3.131 -11.551 7.843 1.00 0.00 N ATOM 0 H ASN A 49 -0.326 -8.389 5.948 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.849 -10.303 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.830 -9.115 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.939 -9.651 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.037 -12.512 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.496 -10.833 8.468 1.00 0.00 H new ATOM 740 N LEU A 50 -3.075 -8.324 3.295 1.00 0.00 N ATOM 741 CA LEU A 50 -3.553 -7.170 2.526 1.00 0.00 C ATOM 742 C LEU A 50 -5.075 -7.278 2.467 1.00 0.00 C ATOM 743 O LEU A 50 -5.599 -8.287 1.993 1.00 0.00 O ATOM 744 CB LEU A 50 -2.954 -7.215 1.113 1.00 0.00 C ATOM 745 CG LEU A 50 -3.399 -5.989 0.292 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.882 -4.697 0.939 1.00 0.00 C ATOM 747 CD2 LEU A 50 -2.849 -6.103 -1.141 1.00 0.00 C ATOM 0 H LEU A 50 -3.410 -9.223 2.948 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.255 -6.229 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.866 -7.242 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.267 -8.129 0.609 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.488 -5.958 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.204 -3.840 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.281 -4.611 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.793 -4.721 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.164 -5.236 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.760 -6.144 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.233 -7.010 -1.607 1.00 0.00 H new ATOM 759 N SER A 51 -5.792 -6.254 2.936 1.00 0.00 N ATOM 760 CA SER A 51 -7.262 -6.274 2.910 1.00 0.00 C ATOM 761 C SER A 51 -7.797 -5.066 2.143 1.00 0.00 C ATOM 762 O SER A 51 -7.411 -3.931 2.423 1.00 0.00 O ATOM 763 CB SER A 51 -7.795 -6.223 4.348 1.00 0.00 C ATOM 764 OG SER A 51 -7.953 -4.868 4.745 1.00 0.00 O ATOM 0 H SER A 51 -5.387 -5.407 3.335 1.00 0.00 H new ATOM 0 HA SER A 51 -7.592 -7.188 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.749 -6.746 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.106 -6.733 5.021 1.00 0.00 H new ATOM 0 HG SER A 51 -7.491 -4.284 4.108 1.00 0.00 H new ATOM 770 N VAL A 52 -8.711 -5.306 1.198 1.00 0.00 N ATOM 771 CA VAL A 52 -9.323 -4.222 0.422 1.00 0.00 C ATOM 772 C VAL A 52 -10.841 -4.287 0.591 1.00 0.00 C ATOM 773 O VAL A 52 -11.451 -5.328 0.343 1.00 0.00 O ATOM 774 CB VAL A 52 -8.953 -4.360 -1.057 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.595 -3.225 -1.857 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.432 -4.294 -1.213 1.00 0.00 C ATOM 0 H VAL A 52 -9.043 -6.239 0.952 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.955 -3.261 0.782 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.317 -5.317 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.330 -3.326 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.679 -3.272 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.235 -2.267 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.170 -4.392 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.069 -3.338 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.973 -5.105 -0.647 1.00 0.00 H new ATOM 786 N ILE A 53 -11.451 -3.180 1.025 1.00 0.00 N ATOM 787 CA ILE A 53 -12.905 -3.134 1.233 1.00 0.00 C ATOM 788 C ILE A 53 -13.542 -2.064 0.349 1.00 0.00 C ATOM 789 O ILE A 53 -13.097 -0.916 0.333 1.00 0.00 O ATOM 790 CB ILE A 53 -13.222 -2.814 2.707 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.605 -3.878 3.655 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.746 -2.791 2.893 1.00 0.00 C ATOM 793 CD1 ILE A 53 -11.167 -3.495 4.034 1.00 0.00 C ATOM 0 H ILE A 53 -10.966 -2.308 1.238 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.313 -4.110 0.970 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.792 -1.844 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.213 -3.967 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.611 -4.854 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.982 -2.565 3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.180 -2.027 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.159 -3.765 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.752 -4.253 4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.558 -3.430 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.169 -2.530 4.541 1.00 0.00 H new ATOM 805 N GLY A 54 -14.603 -2.438 -0.373 1.00 0.00 N ATOM 806 CA GLY A 54 -15.307 -1.485 -1.237 1.00 0.00 C ATOM 807 C GLY A 54 -14.756 -1.480 -2.660 1.00 0.00 C ATOM 808 O GLY A 54 -14.979 -0.523 -3.401 1.00 0.00 O ATOM 0 H GLY A 54 -14.990 -3.382 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.368 -1.734 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.224 -0.484 -0.814 1.00 0.00 H new ATOM 812 N ALA A 55 -14.022 -2.533 -3.042 1.00 0.00 N ATOM 813 CA ALA A 55 -13.434 -2.600 -4.390 1.00 0.00 C ATOM 814 C ALA A 55 -13.848 -3.873 -5.129 1.00 0.00 C ATOM 815 O ALA A 55 -14.269 -4.864 -4.530 1.00 0.00 O ATOM 816 CB ALA A 55 -11.905 -2.533 -4.288 1.00 0.00 C ATOM 0 H ALA A 55 -13.822 -3.339 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.808 -1.750 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.471 -2.583 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.613 -1.597 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.543 -3.371 -3.693 1.00 0.00 H new ATOM 822 N THR A 56 -13.672 -3.820 -6.449 1.00 0.00 N ATOM 823 CA THR A 56 -13.949 -4.923 -7.369 1.00 0.00 C ATOM 824 C THR A 56 -12.708 -5.787 -7.544 1.00 0.00 C ATOM 825 O THR A 56 -11.588 -5.359 -7.265 1.00 0.00 O ATOM 826 CB THR A 56 -14.316 -4.347 -8.738 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.195 -3.659 -9.277 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.492 -3.381 -8.592 1.00 0.00 C ATOM 0 H THR A 56 -13.323 -2.986 -6.921 1.00 0.00 H new ATOM 0 HA THR A 56 -14.764 -5.523 -6.963 1.00 0.00 H new ATOM 0 HB THR A 56 -14.600 -5.158 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.284 -2.699 -9.100 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.751 -2.973 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.351 -3.913 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.214 -2.568 -7.921 1.00 0.00 H new ATOM 836 N LYS A 57 -12.932 -7.026 -7.979 1.00 0.00 N ATOM 837 CA LYS A 57 -11.843 -7.987 -8.161 1.00 0.00 C ATOM 838 C LYS A 57 -10.771 -7.460 -9.115 1.00 0.00 C ATOM 839 O LYS A 57 -9.581 -7.631 -8.850 1.00 0.00 O ATOM 840 CB LYS A 57 -12.401 -9.332 -8.695 1.00 0.00 C ATOM 841 CG LYS A 57 -11.274 -10.367 -8.918 1.00 0.00 C ATOM 842 CD LYS A 57 -11.860 -11.657 -9.522 1.00 0.00 C ATOM 843 CE LYS A 57 -12.486 -12.530 -8.426 1.00 0.00 C ATOM 844 NZ LYS A 57 -11.469 -12.818 -7.374 1.00 0.00 N ATOM 0 H LYS A 57 -13.856 -7.389 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.379 -8.142 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.128 -9.731 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.929 -9.161 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.516 -9.955 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.780 -10.589 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.613 -11.406 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.076 -12.214 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.344 -12.021 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.854 -13.462 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.679 -13.735 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.523 -12.851 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.495 -12.070 -6.652 1.00 0.00 H new ATOM 858 N GLU A 58 -11.165 -6.806 -10.203 1.00 0.00 N ATOM 859 CA GLU A 58 -10.183 -6.258 -11.136 1.00 0.00 C ATOM 860 C GLU A 58 -9.387 -5.140 -10.473 1.00 0.00 C ATOM 861 O GLU A 58 -8.180 -5.020 -10.685 1.00 0.00 O ATOM 862 CB GLU A 58 -10.892 -5.727 -12.388 1.00 0.00 C ATOM 863 CG GLU A 58 -9.862 -5.194 -13.390 1.00 0.00 C ATOM 864 CD GLU A 58 -10.569 -4.667 -14.635 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.788 -4.610 -14.619 1.00 0.00 O ATOM 866 OE2 GLU A 58 -9.882 -4.329 -15.585 1.00 0.00 O ATOM 0 H GLU A 58 -12.139 -6.644 -10.459 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.494 -7.051 -11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.480 -6.522 -12.847 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.587 -4.934 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.274 -4.399 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.166 -5.987 -13.665 1.00 0.00 H new ATOM 873 N ASP A 59 -10.062 -4.329 -9.649 1.00 0.00 N ATOM 874 CA ASP A 59 -9.388 -3.243 -8.950 1.00 0.00 C ATOM 875 C ASP A 59 -8.357 -3.823 -7.993 1.00 0.00 C ATOM 876 O ASP A 59 -7.226 -3.345 -7.901 1.00 0.00 O ATOM 877 CB ASP A 59 -10.394 -2.397 -8.168 1.00 0.00 C ATOM 878 CG ASP A 59 -11.268 -1.602 -9.131 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.856 -1.429 -10.267 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.334 -1.174 -8.719 1.00 0.00 O ATOM 0 H ASP A 59 -11.060 -4.407 -9.456 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.896 -2.605 -9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.016 -3.040 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.867 -1.718 -7.498 1.00 0.00 H new ATOM 885 N LYS A 60 -8.776 -4.862 -7.282 1.00 0.00 N ATOM 886 CA LYS A 60 -7.900 -5.517 -6.321 1.00 0.00 C ATOM 887 C LYS A 60 -6.681 -6.117 -7.012 1.00 0.00 C ATOM 888 O LYS A 60 -5.571 -6.007 -6.489 1.00 0.00 O ATOM 889 CB LYS A 60 -8.660 -6.577 -5.517 1.00 0.00 C ATOM 890 CG LYS A 60 -7.721 -7.254 -4.510 1.00 0.00 C ATOM 891 CD LYS A 60 -8.500 -8.307 -3.719 1.00 0.00 C ATOM 892 CE LYS A 60 -7.528 -9.152 -2.892 1.00 0.00 C ATOM 893 NZ LYS A 60 -6.845 -8.285 -1.889 1.00 0.00 N ATOM 0 H LYS A 60 -9.710 -5.266 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.545 -4.761 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.496 -6.115 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.080 -7.323 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.885 -7.720 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.300 -6.511 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.224 -7.822 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.063 -8.945 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.066 -9.955 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.792 -9.621 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.344 -8.881 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.163 -7.666 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.551 -7.703 -1.395 1.00 0.00 H new ATOM 907 N GLN A 61 -6.842 -6.720 -8.187 1.00 0.00 N ATOM 908 CA GLN A 61 -5.677 -7.262 -8.874 1.00 0.00 C ATOM 909 C GLN A 61 -4.759 -6.107 -9.232 1.00 0.00 C ATOM 910 O GLN A 61 -3.545 -6.204 -9.066 1.00 0.00 O ATOM 911 CB GLN A 61 -6.096 -8.020 -10.134 1.00 0.00 C ATOM 912 CG GLN A 61 -6.814 -9.308 -9.731 1.00 0.00 C ATOM 913 CD GLN A 61 -7.457 -9.956 -10.953 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.513 -9.347 -12.022 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.952 -11.159 -10.857 1.00 0.00 N ATOM 0 H GLN A 61 -7.733 -6.843 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.159 -7.966 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.752 -7.400 -10.745 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.221 -8.252 -10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.107 -10.000 -9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.576 -9.090 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.904 -11.661 -9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.387 -11.598 -11.669 1.00 0.00 H new ATOM 924 N ARG A 62 -5.334 -5.001 -9.722 1.00 0.00 N ATOM 925 CA ARG A 62 -4.523 -3.852 -10.092 1.00 0.00 C ATOM 926 C ARG A 62 -3.763 -3.354 -8.868 1.00 0.00 C ATOM 927 O ARG A 62 -2.570 -3.064 -8.945 1.00 0.00 O ATOM 928 CB ARG A 62 -5.392 -2.737 -10.689 1.00 0.00 C ATOM 929 CG ARG A 62 -4.520 -1.533 -11.073 1.00 0.00 C ATOM 930 CD ARG A 62 -5.370 -0.513 -11.832 1.00 0.00 C ATOM 931 NE ARG A 62 -6.441 -0.014 -10.979 1.00 0.00 N ATOM 932 CZ ARG A 62 -7.305 0.893 -11.421 1.00 0.00 C ATOM 933 NH1 ARG A 62 -7.843 0.762 -12.604 1.00 0.00 N ATOM 934 NH2 ARG A 62 -7.615 1.916 -10.674 1.00 0.00 N ATOM 0 H ARG A 62 -6.337 -4.885 -9.866 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.807 -4.153 -10.857 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.920 -3.108 -11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.150 -2.431 -9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.097 -1.076 -10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.683 -1.858 -11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.745 0.316 -12.165 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.792 -0.974 -12.725 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.529 -0.367 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.600 -0.037 -13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.506 1.459 -12.943 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.194 2.019 -9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.278 2.613 -11.013 1.00 0.00 H new ATOM 948 N ILE A 63 -4.454 -3.268 -7.738 1.00 0.00 N ATOM 949 CA ILE A 63 -3.806 -2.812 -6.515 1.00 0.00 C ATOM 950 C ILE A 63 -2.660 -3.748 -6.143 1.00 0.00 C ATOM 951 O ILE A 63 -1.569 -3.291 -5.801 1.00 0.00 O ATOM 952 CB ILE A 63 -4.804 -2.670 -5.366 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.752 -1.498 -5.644 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.060 -2.410 -4.055 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.948 -1.574 -4.691 1.00 0.00 C ATOM 0 H ILE A 63 -5.442 -3.502 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.394 -1.820 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.376 -3.594 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.227 -0.552 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.094 -1.530 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.779 -2.310 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.389 -3.243 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.481 -1.491 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.623 -0.741 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.477 -2.514 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.596 -1.521 -3.661 1.00 0.00 H new ATOM 967 N SER A 64 -2.882 -5.051 -6.249 1.00 0.00 N ATOM 968 CA SER A 64 -1.811 -5.991 -5.957 1.00 0.00 C ATOM 969 C SER A 64 -0.667 -5.696 -6.920 1.00 0.00 C ATOM 970 O SER A 64 0.491 -5.671 -6.504 1.00 0.00 O ATOM 971 CB SER A 64 -2.296 -7.431 -6.137 1.00 0.00 C ATOM 972 OG SER A 64 -1.268 -8.329 -5.740 1.00 0.00 O ATOM 0 H SER A 64 -3.768 -5.472 -6.527 1.00 0.00 H new ATOM 0 HA SER A 64 -1.482 -5.881 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.193 -7.601 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.566 -7.608 -7.178 1.00 0.00 H new ATOM 0 HG SER A 64 -1.578 -9.252 -5.853 1.00 0.00 H new ATOM 978 N GLU A 65 -0.966 -5.465 -8.213 1.00 0.00 N ATOM 979 CA GLU A 65 0.091 -5.170 -9.174 1.00 0.00 C ATOM 980 C GLU A 65 0.829 -3.897 -8.752 1.00 0.00 C ATOM 981 O GLU A 65 2.057 -3.838 -8.805 1.00 0.00 O ATOM 982 CB GLU A 65 -0.475 -5.034 -10.589 1.00 0.00 C ATOM 983 CG GLU A 65 -0.959 -6.406 -11.067 1.00 0.00 C ATOM 984 CD GLU A 65 -1.530 -6.304 -12.475 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.860 -5.203 -12.883 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.632 -7.331 -13.126 1.00 0.00 O ATOM 0 H GLU A 65 -1.909 -5.478 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 65 0.798 -5.999 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.299 -4.320 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.289 -4.648 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.132 -7.116 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.719 -6.789 -10.386 1.00 0.00 H new ATOM 993 N ILE A 66 0.079 -2.887 -8.325 1.00 0.00 N ATOM 994 CA ILE A 66 0.681 -1.628 -7.887 1.00 0.00 C ATOM 995 C ILE A 66 1.624 -1.857 -6.710 1.00 0.00 C ATOM 996 O ILE A 66 2.747 -1.353 -6.692 1.00 0.00 O ATOM 997 CB ILE A 66 -0.434 -0.641 -7.488 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.149 -0.155 -8.759 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.150 0.561 -6.733 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.349 0.724 -8.391 1.00 0.00 C ATOM 0 H ILE A 66 -0.939 -2.912 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 66 1.262 -1.211 -8.709 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.140 -1.149 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.455 0.408 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.483 -1.010 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.654 1.245 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.653 0.214 -5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.866 1.078 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.846 1.061 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.050 0.148 -7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.006 1.589 -7.823 1.00 0.00 H new ATOM 1012 N LEU A 67 1.155 -2.610 -5.734 1.00 0.00 N ATOM 1013 CA LEU A 67 1.961 -2.886 -4.568 1.00 0.00 C ATOM 1014 C LEU A 67 3.234 -3.596 -4.996 1.00 0.00 C ATOM 1015 O LEU A 67 4.317 -3.303 -4.490 1.00 0.00 O ATOM 1016 CB LEU A 67 1.166 -3.750 -3.572 1.00 0.00 C ATOM 1017 CG LEU A 67 2.070 -4.325 -2.461 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.627 -3.200 -1.571 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.238 -5.285 -1.603 1.00 0.00 C ATOM 0 H LEU A 67 0.229 -3.037 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 67 2.225 -1.951 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.375 -3.151 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.682 -4.568 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 67 2.910 -4.848 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.261 -3.630 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.214 -2.512 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.801 -2.661 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.863 -5.701 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.402 -4.745 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.857 -6.093 -2.227 1.00 0.00 H new ATOM 1031 N GLN A 68 3.113 -4.510 -5.947 1.00 0.00 N ATOM 1032 CA GLN A 68 4.284 -5.213 -6.432 1.00 0.00 C ATOM 1033 C GLN A 68 5.265 -4.246 -7.104 1.00 0.00 C ATOM 1034 O GLN A 68 6.451 -4.246 -6.775 1.00 0.00 O ATOM 1035 CB GLN A 68 3.889 -6.332 -7.399 1.00 0.00 C ATOM 1036 CG GLN A 68 3.276 -7.490 -6.608 1.00 0.00 C ATOM 1037 CD GLN A 68 2.712 -8.539 -7.558 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.626 -8.278 -8.833 1.00 0.00 O flip ATOM 1039 NE2 GLN A 68 2.341 -9.632 -7.127 1.00 0.00 N flip ATOM 0 H GLN A 68 2.233 -4.777 -6.389 1.00 0.00 H new ATOM 0 HA GLN A 68 4.782 -5.663 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.174 -5.959 -8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.763 -6.676 -7.952 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.032 -7.941 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.486 -7.117 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.408 -9.837 -6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.967 -10.332 -7.767 1.00 0.00 H new ATOM 1048 N GLU A 69 4.794 -3.440 -8.054 1.00 0.00 N ATOM 1049 CA GLU A 69 5.682 -2.510 -8.756 1.00 0.00 C ATOM 1050 C GLU A 69 6.352 -1.510 -7.811 1.00 0.00 C ATOM 1051 O GLU A 69 7.555 -1.269 -7.920 1.00 0.00 O ATOM 1052 CB GLU A 69 4.897 -1.756 -9.831 1.00 0.00 C ATOM 1053 CG GLU A 69 4.501 -2.728 -10.946 1.00 0.00 C ATOM 1054 CD GLU A 69 3.716 -1.994 -12.028 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.296 -0.878 -11.775 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.547 -2.561 -13.095 1.00 0.00 O ATOM 0 H GLU A 69 3.819 -3.410 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 69 6.473 -3.104 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.007 -1.302 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.502 -0.945 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.393 -3.181 -11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.899 -3.538 -10.535 1.00 0.00 H new ATOM 1063 N THR A 70 5.593 -0.934 -6.883 1.00 0.00 N ATOM 1064 CA THR A 70 6.169 0.025 -5.942 1.00 0.00 C ATOM 1065 C THR A 70 7.264 -0.647 -5.140 1.00 0.00 C ATOM 1066 O THR A 70 8.358 -0.113 -4.957 1.00 0.00 O ATOM 1067 CB THR A 70 5.085 0.551 -5.012 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.076 1.195 -5.777 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.687 1.542 -4.014 1.00 0.00 C ATOM 0 H THR A 70 4.595 -1.109 -6.762 1.00 0.00 H new ATOM 0 HA THR A 70 6.595 0.863 -6.494 1.00 0.00 H new ATOM 0 HB THR A 70 4.648 -0.283 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.497 0.520 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.904 1.913 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.455 1.042 -3.423 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.132 2.378 -4.554 1.00 0.00 H new ATOM 1077 N TRP A 71 6.927 -1.831 -4.655 1.00 0.00 N ATOM 1078 CA TRP A 71 7.827 -2.629 -3.850 1.00 0.00 C ATOM 1079 C TRP A 71 9.095 -2.933 -4.644 1.00 0.00 C ATOM 1080 O TRP A 71 10.191 -2.905 -4.086 1.00 0.00 O ATOM 1081 CB TRP A 71 7.038 -3.875 -3.428 1.00 0.00 C ATOM 1082 CG TRP A 71 7.785 -4.759 -2.466 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.898 -6.099 -2.612 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.466 -4.431 -1.202 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.635 -6.610 -1.562 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.007 -5.629 -0.667 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.688 -3.236 -0.476 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.730 -5.644 0.527 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.413 -3.254 0.728 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.934 -4.454 1.226 1.00 0.00 C ATOM 0 H TRP A 71 6.017 -2.264 -4.811 1.00 0.00 H new ATOM 0 HA TRP A 71 8.169 -2.114 -2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.099 -3.563 -2.970 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.782 -4.452 -4.317 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.478 -6.678 -3.422 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.876 -7.596 -1.460 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.297 -2.302 -0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.130 -6.572 0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.569 -2.335 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.493 -4.459 2.150 1.00 0.00 H new ATOM 1101 N GLU A 72 8.963 -3.224 -5.930 1.00 0.00 N ATOM 1102 CA GLU A 72 10.125 -3.531 -6.770 1.00 0.00 C ATOM 1103 C GLU A 72 10.940 -2.281 -7.112 1.00 0.00 C ATOM 1104 O GLU A 72 12.084 -2.411 -7.546 1.00 0.00 O ATOM 1105 CB GLU A 72 9.697 -4.239 -8.055 1.00 0.00 C ATOM 1106 CG GLU A 72 9.207 -5.651 -7.729 1.00 0.00 C ATOM 1107 CD GLU A 72 8.780 -6.359 -9.011 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.582 -5.677 -10.003 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.660 -7.573 -8.983 1.00 0.00 O ATOM 0 H GLU A 72 8.068 -3.256 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 72 10.764 -4.196 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.905 -3.674 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.534 -4.286 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.999 -6.216 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.370 -5.604 -7.033 1.00 0.00 H new ATOM 1116 N SER A 73 10.376 -1.073 -6.945 1.00 0.00 N ATOM 1117 CA SER A 73 11.124 0.153 -7.281 1.00 0.00 C ATOM 1118 C SER A 73 11.561 0.887 -6.020 1.00 0.00 C ATOM 1119 O SER A 73 11.752 2.103 -6.032 1.00 0.00 O ATOM 1120 CB SER A 73 10.259 1.077 -8.140 1.00 0.00 C ATOM 1121 OG SER A 73 9.185 1.579 -7.355 1.00 0.00 O ATOM 0 H SER A 73 9.432 -0.919 -6.590 1.00 0.00 H new ATOM 0 HA SER A 73 12.014 -0.135 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.859 1.901 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.872 0.534 -9.002 1.00 0.00 H new ATOM 0 HG SER A 73 9.034 0.986 -6.590 1.00 0.00 H new ATOM 1127 N ALA A 74 11.653 0.150 -4.920 1.00 0.00 N ATOM 1128 CA ALA A 74 11.989 0.715 -3.620 1.00 0.00 C ATOM 1129 C ALA A 74 13.267 1.561 -3.574 1.00 0.00 C ATOM 1130 O ALA A 74 13.334 2.534 -2.837 1.00 0.00 O ATOM 1131 CB ALA A 74 12.134 -0.432 -2.619 1.00 0.00 C ATOM 0 H ALA A 74 11.496 -0.858 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 74 11.175 1.399 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.386 -0.029 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.194 -0.981 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.925 -1.105 -2.949 1.00 0.00 H new ATOM 1137 N ASP A 75 14.278 1.190 -4.344 1.00 0.00 N ATOM 1138 CA ASP A 75 15.537 1.941 -4.333 1.00 0.00 C ATOM 1139 C ASP A 75 15.375 3.348 -4.914 1.00 0.00 C ATOM 1140 O ASP A 75 16.215 4.216 -4.673 1.00 0.00 O ATOM 1141 CB ASP A 75 16.598 1.192 -5.144 1.00 0.00 C ATOM 1142 CG ASP A 75 17.022 -0.077 -4.413 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.804 -0.148 -3.215 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.566 -0.956 -5.061 1.00 0.00 O ATOM 0 H ASP A 75 14.260 0.389 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 75 15.846 2.035 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.202 0.939 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.464 1.834 -5.304 1.00 0.00 H new ATOM 1149 N ASP A 76 14.324 3.576 -5.695 1.00 0.00 N ATOM 1150 CA ASP A 76 14.110 4.889 -6.316 1.00 0.00 C ATOM 1151 C ASP A 76 13.218 5.814 -5.474 1.00 0.00 C ATOM 1152 O ASP A 76 13.514 7.002 -5.350 1.00 0.00 O ATOM 1153 CB ASP A 76 13.469 4.701 -7.694 1.00 0.00 C ATOM 1154 CG ASP A 76 14.473 4.085 -8.663 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.653 4.106 -8.356 1.00 0.00 O ATOM 1156 OD2 ASP A 76 14.046 3.605 -9.701 1.00 0.00 O ATOM 0 H ASP A 76 13.611 2.880 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 76 15.087 5.364 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.592 4.059 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.125 5.662 -8.077 1.00 0.00 H new ATOM 1161 N TRP A 77 12.106 5.305 -4.948 1.00 0.00 N ATOM 1162 CA TRP A 77 11.178 6.163 -4.189 1.00 0.00 C ATOM 1163 C TRP A 77 11.449 6.214 -2.680 1.00 0.00 C ATOM 1164 O TRP A 77 11.019 7.156 -2.015 1.00 0.00 O ATOM 1165 CB TRP A 77 9.734 5.718 -4.434 1.00 0.00 C ATOM 1166 CG TRP A 77 9.406 4.482 -3.637 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.434 3.204 -4.112 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.985 4.380 -2.229 1.00 0.00 C ATOM 1169 NE1 TRP A 77 9.038 2.345 -3.108 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.756 3.011 -1.936 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.770 5.321 -1.180 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.331 2.592 -0.679 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.343 4.887 0.078 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.121 3.532 0.325 1.00 0.00 C ATOM 0 H TRP A 77 11.823 4.328 -5.026 1.00 0.00 H new ATOM 0 HA TRP A 77 11.343 7.174 -4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.051 6.522 -4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.586 5.520 -5.496 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.720 2.912 -5.112 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.963 1.334 -3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.938 6.373 -1.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.165 1.543 -0.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.183 5.608 0.867 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.785 3.211 1.300 1.00 0.00 H new ATOM 1185 N PHE A 78 12.166 5.240 -2.132 1.00 0.00 N ATOM 1186 CA PHE A 78 12.457 5.265 -0.692 1.00 0.00 C ATOM 1187 C PHE A 78 13.747 6.027 -0.418 1.00 0.00 C ATOM 1188 O PHE A 78 14.780 5.771 -1.037 1.00 0.00 O ATOM 1189 CB PHE A 78 12.535 3.842 -0.129 1.00 0.00 C ATOM 1190 CG PHE A 78 13.021 3.893 1.307 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.104 4.063 2.356 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.396 3.812 1.588 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.562 4.139 3.675 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.846 3.887 2.909 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.930 4.050 3.952 1.00 0.00 C ATOM 0 H PHE A 78 12.550 4.443 -2.639 1.00 0.00 H new ATOM 0 HA PHE A 78 11.642 5.784 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.555 3.367 -0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.212 3.237 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.047 4.135 2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.105 3.692 0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.857 4.267 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.902 3.819 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.279 4.107 4.973 1.00 0.00 H new ATOM 1205 N VAL A 79 13.665 6.989 0.501 1.00 0.00 N ATOM 1206 CA VAL A 79 14.799 7.837 0.863 1.00 0.00 C ATOM 1207 C VAL A 79 15.037 7.771 2.373 1.00 0.00 C ATOM 1208 O VAL A 79 14.077 7.661 3.136 1.00 0.00 O ATOM 1209 CB VAL A 79 14.464 9.281 0.454 1.00 0.00 C ATOM 1210 CG1 VAL A 79 14.707 9.472 -1.049 1.00 0.00 C ATOM 1211 CG2 VAL A 79 12.982 9.563 0.748 1.00 0.00 C ATOM 0 H VAL A 79 12.810 7.202 1.015 1.00 0.00 H new ATOM 0 HA VAL A 79 15.701 7.497 0.354 1.00 0.00 H new ATOM 0 HB VAL A 79 15.100 9.963 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.467 10.498 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.753 9.269 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.074 8.785 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.742 10.586 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.360 8.870 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.791 9.433 1.813 1.00 0.00 H new ATOM 1221 N SER A 80 16.294 7.842 2.821 1.00 0.00 N ATOM 1222 CA SER A 80 16.591 7.790 4.259 1.00 0.00 C ATOM 1223 C SER A 80 17.548 8.916 4.654 1.00 0.00 C ATOM 1224 O SER A 80 18.499 9.220 3.935 1.00 0.00 O ATOM 1225 CB SER A 80 17.233 6.439 4.607 1.00 0.00 C ATOM 1226 OG SER A 80 18.389 6.252 3.800 1.00 0.00 O ATOM 0 H SER A 80 17.113 7.934 2.220 1.00 0.00 H new ATOM 0 HA SER A 80 15.657 7.910 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.503 6.412 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.522 5.630 4.439 1.00 0.00 H new ATOM 0 HG SER A 80 18.805 5.392 4.018 1.00 0.00 H new ATOM 1232 N GLU A 81 17.279 9.528 5.806 1.00 0.00 N ATOM 1233 CA GLU A 81 18.110 10.622 6.300 1.00 0.00 C ATOM 1234 C GLU A 81 19.540 10.147 6.549 1.00 0.00 C ATOM 1235 O GLU A 81 19.914 9.133 5.983 1.00 0.00 O ATOM 1236 CB GLU A 81 17.527 11.179 7.601 1.00 0.00 C ATOM 1237 CG GLU A 81 16.112 11.701 7.346 1.00 0.00 C ATOM 1238 CD GLU A 81 15.522 12.258 8.636 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.018 11.901 9.693 1.00 0.00 O ATOM 1240 OE2 GLU A 81 14.584 13.033 8.550 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.238 10.805 7.304 1.00 0.00 O ATOM 0 H GLU A 81 16.495 9.285 6.412 1.00 0.00 H new ATOM 0 HA GLU A 81 18.125 11.405 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.507 10.401 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.159 11.982 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.134 12.478 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.482 10.897 6.966 1.00 0.00 H new TER 1248 GLU A 81