USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.205 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=-0.24) USER MOD Single : A 17 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-1.5) USER MOD Single : A 21 GLN : amide:sc= -0.0828 K(o=-0.083,f=-1.8!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 176:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-0.13) USER MOD Single : A 55 ASN : amide:sc= -2.45! K(o=-2.4!,f=-1.6) USER MOD Single : A 57 GLN : amide:sc= -2.53 K(o=-2.5,f=-4.6!) USER MOD Single : A 58 SER OG : rot 19:sc= 0.898 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-4.6!) USER MOD Single : A 72 THR OG1 : rot 92:sc= 0.952 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -4.69! K(o=-4.7!,f=-5.3) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 0.0469 (180deg=0.0468) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 83 MET CE :methyl 177:sc= -0.979 (180deg=-1.08) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -2:sc= 0.0803 USER MOD Single : A 94 GLN : amide:sc=-0.00145 K(o=-0.0014,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.888 24.526 -17.117 1.00 0.00 N ATOM 2 CA GLY A 1 -4.297 25.396 -16.030 1.00 0.00 C ATOM 3 C GLY A 1 -4.201 24.719 -14.677 1.00 0.00 C ATOM 4 O GLY A 1 -3.147 24.203 -14.307 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.972 25.035 -18.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.900 24.234 -16.975 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.499 23.684 -17.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.674 26.290 -16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.323 25.723 -16.197 1.00 0.00 H new ATOM 8 N SER A 2 -5.305 24.722 -13.936 1.00 0.00 N ATOM 9 CA SER A 2 -5.339 24.108 -12.614 1.00 0.00 C ATOM 10 C SER A 2 -6.202 22.849 -12.622 1.00 0.00 C ATOM 11 O SER A 2 -7.406 22.910 -12.868 1.00 0.00 O ATOM 12 CB SER A 2 -5.876 25.101 -11.581 1.00 0.00 C ATOM 13 OG SER A 2 -5.068 26.263 -11.524 1.00 0.00 O ATOM 0 H SER A 2 -6.187 25.143 -14.229 1.00 0.00 H new ATOM 0 HA SER A 2 -4.321 23.828 -12.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.899 25.378 -11.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.908 24.628 -10.600 1.00 0.00 H new ATOM 0 HG SER A 2 -5.433 26.883 -10.858 1.00 0.00 H new ATOM 19 N SER A 3 -5.575 21.709 -12.351 1.00 0.00 N ATOM 20 CA SER A 3 -6.283 20.434 -12.330 1.00 0.00 C ATOM 21 C SER A 3 -5.379 19.319 -11.812 1.00 0.00 C ATOM 22 O SER A 3 -4.286 19.099 -12.331 1.00 0.00 O ATOM 23 CB SER A 3 -6.790 20.085 -13.731 1.00 0.00 C ATOM 24 OG SER A 3 -7.800 19.092 -13.675 1.00 0.00 O ATOM 0 H SER A 3 -4.579 21.642 -12.143 1.00 0.00 H new ATOM 0 HA SER A 3 -7.135 20.530 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.182 20.981 -14.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.961 19.731 -14.344 1.00 0.00 H new ATOM 0 HG SER A 3 -8.109 18.888 -14.582 1.00 0.00 H new ATOM 30 N GLY A 4 -5.846 18.617 -10.783 1.00 0.00 N ATOM 31 CA GLY A 4 -5.068 17.534 -10.211 1.00 0.00 C ATOM 32 C GLY A 4 -4.800 16.423 -11.207 1.00 0.00 C ATOM 33 O GLY A 4 -5.089 16.564 -12.396 1.00 0.00 O ATOM 0 H GLY A 4 -6.748 18.779 -10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.119 17.926 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.597 17.126 -9.350 1.00 0.00 H new ATOM 37 N SER A 5 -4.245 15.317 -10.723 1.00 0.00 N ATOM 38 CA SER A 5 -3.933 14.180 -11.581 1.00 0.00 C ATOM 39 C SER A 5 -4.903 13.029 -11.332 1.00 0.00 C ATOM 40 O SER A 5 -5.573 12.980 -10.301 1.00 0.00 O ATOM 41 CB SER A 5 -2.496 13.712 -11.340 1.00 0.00 C ATOM 42 OG SER A 5 -2.243 12.482 -11.997 1.00 0.00 O ATOM 0 H SER A 5 -4.002 15.184 -9.741 1.00 0.00 H new ATOM 0 HA SER A 5 -4.035 14.500 -12.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.799 14.469 -11.698 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.322 13.599 -10.270 1.00 0.00 H new ATOM 0 HG SER A 5 -1.318 12.206 -11.829 1.00 0.00 H new ATOM 48 N SER A 6 -4.972 12.106 -12.285 1.00 0.00 N ATOM 49 CA SER A 6 -5.863 10.956 -12.173 1.00 0.00 C ATOM 50 C SER A 6 -5.237 9.720 -12.810 1.00 0.00 C ATOM 51 O SER A 6 -4.544 9.812 -13.823 1.00 0.00 O ATOM 52 CB SER A 6 -7.208 11.260 -12.835 1.00 0.00 C ATOM 53 OG SER A 6 -8.158 10.249 -12.547 1.00 0.00 O ATOM 0 H SER A 6 -4.422 12.131 -13.144 1.00 0.00 H new ATOM 0 HA SER A 6 -6.025 10.755 -11.114 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.580 12.223 -12.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.076 11.342 -13.914 1.00 0.00 H new ATOM 0 HG SER A 6 -9.010 10.467 -12.980 1.00 0.00 H new ATOM 59 N GLY A 7 -5.487 8.560 -12.209 1.00 0.00 N ATOM 60 CA GLY A 7 -4.942 7.321 -12.731 1.00 0.00 C ATOM 61 C GLY A 7 -4.540 6.357 -11.632 1.00 0.00 C ATOM 62 O GLY A 7 -5.205 5.345 -11.410 1.00 0.00 O ATOM 0 H GLY A 7 -6.057 8.457 -11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.681 6.845 -13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.074 7.542 -13.352 1.00 0.00 H new ATOM 66 N VAL A 8 -3.447 6.669 -10.944 1.00 0.00 N ATOM 67 CA VAL A 8 -2.956 5.822 -9.863 1.00 0.00 C ATOM 68 C VAL A 8 -3.722 6.082 -8.570 1.00 0.00 C ATOM 69 O VAL A 8 -3.909 7.230 -8.166 1.00 0.00 O ATOM 70 CB VAL A 8 -1.454 6.048 -9.610 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.929 5.055 -8.585 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.674 5.944 -10.912 1.00 0.00 C ATOM 0 H VAL A 8 -2.884 7.502 -11.116 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.113 4.789 -10.174 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.318 7.053 -9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.134 5.231 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.468 5.182 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.076 4.040 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.386 6.106 -10.715 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.815 4.953 -11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.033 6.698 -11.612 1.00 0.00 H new ATOM 82 N THR A 9 -4.164 5.007 -7.924 1.00 0.00 N ATOM 83 CA THR A 9 -4.911 5.118 -6.678 1.00 0.00 C ATOM 84 C THR A 9 -3.977 5.357 -5.497 1.00 0.00 C ATOM 85 O THR A 9 -3.157 4.504 -5.157 1.00 0.00 O ATOM 86 CB THR A 9 -5.746 3.853 -6.409 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.662 3.632 -7.487 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.515 3.980 -5.102 1.00 0.00 C ATOM 0 H THR A 9 -4.017 4.050 -8.244 1.00 0.00 H new ATOM 0 HA THR A 9 -5.582 5.971 -6.786 1.00 0.00 H new ATOM 0 HB THR A 9 -5.065 3.005 -6.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.188 2.825 -7.309 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.098 3.074 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.814 4.119 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.185 4.838 -5.156 1.00 0.00 H new ATOM 96 N THR A 10 -4.106 6.524 -4.873 1.00 0.00 N ATOM 97 CA THR A 10 -3.273 6.875 -3.729 1.00 0.00 C ATOM 98 C THR A 10 -4.078 6.857 -2.436 1.00 0.00 C ATOM 99 O THR A 10 -5.238 7.267 -2.410 1.00 0.00 O ATOM 100 CB THR A 10 -2.636 8.267 -3.905 1.00 0.00 C ATOM 101 OG1 THR A 10 -2.047 8.376 -5.205 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.578 8.516 -2.841 1.00 0.00 C ATOM 0 H THR A 10 -4.779 7.242 -5.141 1.00 0.00 H new ATOM 0 HA THR A 10 -2.483 6.126 -3.671 1.00 0.00 H new ATOM 0 HB THR A 10 -3.420 9.017 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.646 9.264 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.142 9.505 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.036 8.462 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.797 7.760 -2.921 1.00 0.00 H new ATOM 110 N ALA A 11 -3.456 6.379 -1.363 1.00 0.00 N ATOM 111 CA ALA A 11 -4.115 6.310 -0.065 1.00 0.00 C ATOM 112 C ALA A 11 -3.146 6.654 1.062 1.00 0.00 C ATOM 113 O ALA A 11 -1.966 6.307 1.006 1.00 0.00 O ATOM 114 CB ALA A 11 -4.710 4.926 0.152 1.00 0.00 C ATOM 0 H ALA A 11 -2.496 6.034 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.920 7.045 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.199 4.889 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.441 4.717 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.917 4.179 0.116 1.00 0.00 H new ATOM 120 N ILE A 12 -3.652 7.339 2.082 1.00 0.00 N ATOM 121 CA ILE A 12 -2.831 7.729 3.221 1.00 0.00 C ATOM 122 C ILE A 12 -3.324 7.071 4.505 1.00 0.00 C ATOM 123 O ILE A 12 -4.507 7.147 4.839 1.00 0.00 O ATOM 124 CB ILE A 12 -2.822 9.257 3.411 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.442 9.954 2.103 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.860 9.647 4.524 1.00 0.00 C ATOM 127 CD1 ILE A 12 -0.978 9.814 1.747 1.00 0.00 C ATOM 0 H ILE A 12 -4.626 7.635 2.143 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.816 7.391 3.009 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.824 9.579 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.045 9.544 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.689 11.013 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.865 10.730 4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.171 9.175 5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.854 9.315 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.781 10.332 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.368 10.250 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.729 8.758 1.638 1.00 0.00 H new ATOM 139 N ILE A 13 -2.409 6.428 5.223 1.00 0.00 N ATOM 140 CA ILE A 13 -2.751 5.759 6.472 1.00 0.00 C ATOM 141 C ILE A 13 -2.264 6.560 7.675 1.00 0.00 C ATOM 142 O ILE A 13 -1.297 7.317 7.581 1.00 0.00 O ATOM 143 CB ILE A 13 -2.149 4.343 6.536 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.701 3.479 5.399 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.442 3.703 7.885 1.00 0.00 C ATOM 146 CD1 ILE A 13 -4.130 3.035 5.618 1.00 0.00 C ATOM 0 H ILE A 13 -1.426 6.356 4.961 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.838 5.685 6.503 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.068 4.418 6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.642 4.039 4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.069 2.599 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.010 2.703 7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.006 4.310 8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.520 3.637 8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.456 2.427 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.192 2.447 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.774 3.910 5.704 1.00 0.00 H new ATOM 158 N HIS A 14 -2.939 6.387 8.807 1.00 0.00 N ATOM 159 CA HIS A 14 -2.574 7.092 10.031 1.00 0.00 C ATOM 160 C HIS A 14 -2.075 6.116 11.092 1.00 0.00 C ATOM 161 O HIS A 14 -2.866 5.427 11.737 1.00 0.00 O ATOM 162 CB HIS A 14 -3.770 7.879 10.567 1.00 0.00 C ATOM 163 CG HIS A 14 -4.073 9.118 9.782 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.094 9.957 9.293 1.00 0.00 N ATOM 165 CD2 HIS A 14 -5.254 9.657 9.399 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.660 10.960 8.645 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.971 10.801 8.695 1.00 0.00 N ATOM 0 H HIS A 14 -3.742 5.765 8.902 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.768 7.787 9.794 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.649 7.234 10.566 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.578 8.154 11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.237 9.261 9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.140 11.771 8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.660 11.427 8.278 1.00 0.00 H new ATOM 175 N ARG A 15 -0.759 6.062 11.267 1.00 0.00 N ATOM 176 CA ARG A 15 -0.155 5.169 12.249 1.00 0.00 C ATOM 177 C ARG A 15 0.429 5.960 13.416 1.00 0.00 C ATOM 178 O ARG A 15 1.630 6.222 13.481 1.00 0.00 O ATOM 179 CB ARG A 15 0.939 4.323 11.594 1.00 0.00 C ATOM 180 CG ARG A 15 0.431 3.436 10.469 1.00 0.00 C ATOM 181 CD ARG A 15 1.299 2.199 10.300 1.00 0.00 C ATOM 182 NE ARG A 15 2.692 2.455 10.656 1.00 0.00 N ATOM 183 CZ ARG A 15 3.583 1.494 10.874 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.228 0.220 10.772 1.00 0.00 N ATOM 185 NH2 ARG A 15 4.832 1.806 11.193 1.00 0.00 N ATOM 0 H ARG A 15 -0.091 6.626 10.742 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.934 4.510 12.633 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.713 4.984 11.203 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.408 3.698 12.354 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.596 3.136 10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.416 4.001 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.908 1.394 10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.246 1.857 9.266 1.00 0.00 H new ATOM 0 HE ARG A 15 2.997 3.424 10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.269 -0.024 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.914 -0.516 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.109 2.785 11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.515 1.067 11.360 1.00 0.00 H new ATOM 199 N PRO A 16 -0.440 6.349 14.361 1.00 0.00 N ATOM 200 CA PRO A 16 -0.033 7.115 15.543 1.00 0.00 C ATOM 201 C PRO A 16 0.801 6.285 16.513 1.00 0.00 C ATOM 202 O PRO A 16 1.389 6.817 17.455 1.00 0.00 O ATOM 203 CB PRO A 16 -1.365 7.510 16.185 1.00 0.00 C ATOM 204 CG PRO A 16 -2.329 6.469 15.729 1.00 0.00 C ATOM 205 CD PRO A 16 -1.885 6.071 14.348 1.00 0.00 C ATOM 0 HA PRO A 16 0.598 7.964 15.281 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.290 7.531 17.272 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.678 8.505 15.868 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.325 5.612 16.402 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.347 6.859 15.715 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.090 5.019 14.147 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.398 6.648 13.579 1.00 0.00 H new ATOM 213 N HIS A 17 0.849 4.978 16.276 1.00 0.00 N ATOM 214 CA HIS A 17 1.612 4.074 17.129 1.00 0.00 C ATOM 215 C HIS A 17 1.999 2.808 16.371 1.00 0.00 C ATOM 216 O HIS A 17 1.225 2.296 15.562 1.00 0.00 O ATOM 217 CB HIS A 17 0.803 3.709 18.375 1.00 0.00 C ATOM 218 CG HIS A 17 1.646 3.489 19.593 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.378 2.339 19.804 1.00 0.00 N ATOM 220 CD2 HIS A 17 1.873 4.280 20.667 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.017 2.432 20.957 1.00 0.00 C ATOM 222 NE2 HIS A 17 2.728 3.600 21.500 1.00 0.00 N ATOM 0 H HIS A 17 0.369 4.521 15.501 1.00 0.00 H new ATOM 0 HA HIS A 17 2.524 4.587 17.434 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.086 4.504 18.578 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.228 2.805 18.173 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.459 5.263 20.838 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.665 1.680 21.383 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.082 3.942 22.393 1.00 0.00 H new ATOM 230 N ALA A 18 3.201 2.308 16.637 1.00 0.00 N ATOM 231 CA ALA A 18 3.689 1.102 15.981 1.00 0.00 C ATOM 232 C ALA A 18 3.068 -0.148 16.595 1.00 0.00 C ATOM 233 O ALA A 18 2.434 -0.943 15.901 1.00 0.00 O ATOM 234 CB ALA A 18 5.207 1.034 16.064 1.00 0.00 C ATOM 0 H ALA A 18 3.855 2.720 17.303 1.00 0.00 H new ATOM 0 HA ALA A 18 3.394 1.144 14.933 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.558 0.128 15.570 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.638 1.906 15.572 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.514 1.019 17.110 1.00 0.00 H new ATOM 240 N ARG A 19 3.254 -0.315 17.900 1.00 0.00 N ATOM 241 CA ARG A 19 2.712 -1.470 18.607 1.00 0.00 C ATOM 242 C ARG A 19 1.367 -1.885 18.020 1.00 0.00 C ATOM 243 O ARG A 19 1.022 -3.066 18.009 1.00 0.00 O ATOM 244 CB ARG A 19 2.556 -1.155 20.096 1.00 0.00 C ATOM 245 CG ARG A 19 3.855 -1.250 20.879 1.00 0.00 C ATOM 246 CD ARG A 19 4.322 -2.691 21.011 1.00 0.00 C ATOM 247 NE ARG A 19 5.505 -2.807 21.860 1.00 0.00 N ATOM 248 CZ ARG A 19 6.364 -3.818 21.788 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.174 -4.793 20.911 1.00 0.00 N ATOM 250 NH2 ARG A 19 7.417 -3.853 22.595 1.00 0.00 N ATOM 0 H ARG A 19 3.775 0.334 18.489 1.00 0.00 H new ATOM 0 HA ARG A 19 3.411 -2.298 18.489 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.149 -0.150 20.205 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.829 -1.842 20.530 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.625 -0.661 20.381 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.716 -0.819 21.871 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.517 -3.297 21.427 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.545 -3.092 20.022 1.00 0.00 H new ATOM 0 HE ARG A 19 5.681 -2.072 22.545 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.366 -4.769 20.289 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.835 -5.568 20.858 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.567 -3.104 23.271 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.076 -4.629 22.540 1.00 0.00 H new ATOM 264 N GLU A 20 0.612 -0.905 17.533 1.00 0.00 N ATOM 265 CA GLU A 20 -0.696 -1.170 16.946 1.00 0.00 C ATOM 266 C GLU A 20 -0.558 -1.654 15.505 1.00 0.00 C ATOM 267 O GLU A 20 0.306 -1.186 14.764 1.00 0.00 O ATOM 268 CB GLU A 20 -1.565 0.089 16.991 1.00 0.00 C ATOM 269 CG GLU A 20 -1.595 0.758 18.355 1.00 0.00 C ATOM 270 CD GLU A 20 -2.542 0.074 19.321 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.862 -1.113 19.096 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.964 0.723 20.300 1.00 0.00 O ATOM 0 H GLU A 20 0.883 0.078 17.533 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.175 -1.955 17.531 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.196 0.802 16.254 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.583 -0.171 16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.590 0.759 18.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.892 1.800 18.238 1.00 0.00 H new ATOM 279 N GLN A 21 -1.415 -2.593 15.117 1.00 0.00 N ATOM 280 CA GLN A 21 -1.387 -3.141 13.766 1.00 0.00 C ATOM 281 C GLN A 21 -1.902 -2.121 12.755 1.00 0.00 C ATOM 282 O GLN A 21 -2.184 -0.974 13.103 1.00 0.00 O ATOM 283 CB GLN A 21 -2.227 -4.417 13.694 1.00 0.00 C ATOM 284 CG GLN A 21 -3.588 -4.289 14.359 1.00 0.00 C ATOM 285 CD GLN A 21 -4.548 -5.385 13.941 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.333 -6.065 12.937 1.00 0.00 O ATOM 287 NE2 GLN A 21 -5.616 -5.563 14.710 1.00 0.00 N ATOM 0 H GLN A 21 -2.137 -2.990 15.719 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.353 -3.381 13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.367 -4.691 12.648 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.677 -5.231 14.166 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.463 -4.314 15.441 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.020 -3.319 14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.755 -4.977 15.533 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.297 -6.286 14.478 1.00 0.00 H new ATOM 296 N LEU A 22 -2.020 -2.547 11.502 1.00 0.00 N ATOM 297 CA LEU A 22 -2.501 -1.671 10.439 1.00 0.00 C ATOM 298 C LEU A 22 -3.913 -2.056 10.012 1.00 0.00 C ATOM 299 O LEU A 22 -4.786 -1.200 9.872 1.00 0.00 O ATOM 300 CB LEU A 22 -1.558 -1.732 9.236 1.00 0.00 C ATOM 301 CG LEU A 22 -0.411 -0.721 9.230 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.734 -1.217 8.360 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.900 0.637 8.747 1.00 0.00 C ATOM 0 H LEU A 22 -1.789 -3.493 11.197 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.524 -0.652 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.133 -2.734 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.147 -1.588 8.330 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.044 -0.611 10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.541 -0.484 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.102 -2.166 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.381 -1.356 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.071 1.344 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.294 0.543 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.686 0.998 9.410 1.00 0.00 H new ATOM 315 N GLY A 23 -4.132 -3.352 9.809 1.00 0.00 N ATOM 316 CA GLY A 23 -5.441 -3.829 9.403 1.00 0.00 C ATOM 317 C GLY A 23 -5.410 -4.538 8.063 1.00 0.00 C ATOM 318 O GLY A 23 -5.992 -5.612 7.908 1.00 0.00 O ATOM 0 H GLY A 23 -3.426 -4.080 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.828 -4.509 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.131 -2.987 9.349 1.00 0.00 H new ATOM 322 N PHE A 24 -4.732 -3.935 7.093 1.00 0.00 N ATOM 323 CA PHE A 24 -4.629 -4.514 5.758 1.00 0.00 C ATOM 324 C PHE A 24 -3.469 -5.503 5.682 1.00 0.00 C ATOM 325 O PHE A 24 -2.430 -5.306 6.312 1.00 0.00 O ATOM 326 CB PHE A 24 -4.444 -3.412 4.714 1.00 0.00 C ATOM 327 CG PHE A 24 -3.113 -2.723 4.798 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.911 -1.685 5.694 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.063 -3.113 3.983 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.686 -1.049 5.774 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.836 -2.481 4.058 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.647 -1.448 4.956 1.00 0.00 C ATOM 0 H PHE A 24 -4.245 -3.046 7.206 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.555 -5.050 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.559 -3.842 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.235 -2.672 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.719 -1.369 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.205 -3.921 3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.542 -0.241 6.476 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.026 -2.794 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.311 -0.954 5.018 1.00 0.00 H new ATOM 342 N CYS A 25 -3.656 -6.565 4.906 1.00 0.00 N ATOM 343 CA CYS A 25 -2.626 -7.586 4.748 1.00 0.00 C ATOM 344 C CYS A 25 -2.094 -7.604 3.319 1.00 0.00 C ATOM 345 O CYS A 25 -2.858 -7.731 2.362 1.00 0.00 O ATOM 346 CB CYS A 25 -3.182 -8.962 5.116 1.00 0.00 C ATOM 347 SG CYS A 25 -1.936 -10.272 5.169 1.00 0.00 S ATOM 0 H CYS A 25 -4.510 -6.741 4.377 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.803 -7.344 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.667 -8.897 6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.951 -9.236 4.394 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.502 -11.397 5.491 1.00 0.00 H new ATOM 353 N VAL A 26 -0.778 -7.475 3.181 1.00 0.00 N ATOM 354 CA VAL A 26 -0.143 -7.476 1.868 1.00 0.00 C ATOM 355 C VAL A 26 0.495 -8.828 1.568 1.00 0.00 C ATOM 356 O VAL A 26 1.156 -9.416 2.423 1.00 0.00 O ATOM 357 CB VAL A 26 0.932 -6.378 1.764 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.630 -6.441 0.414 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.315 -5.006 1.991 1.00 0.00 C ATOM 0 H VAL A 26 -0.131 -7.368 3.962 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.926 -7.277 1.137 1.00 0.00 H new ATOM 0 HB VAL A 26 1.678 -6.549 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.386 -5.658 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.106 -7.414 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.898 -6.296 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.089 -4.242 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.452 -4.823 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.134 -4.969 2.983 1.00 0.00 H new ATOM 369 N GLU A 27 0.294 -9.313 0.347 1.00 0.00 N ATOM 370 CA GLU A 27 0.850 -10.596 -0.066 1.00 0.00 C ATOM 371 C GLU A 27 1.615 -10.460 -1.380 1.00 0.00 C ATOM 372 O GLU A 27 1.028 -10.182 -2.426 1.00 0.00 O ATOM 373 CB GLU A 27 -0.262 -11.635 -0.216 1.00 0.00 C ATOM 374 CG GLU A 27 -0.670 -12.285 1.096 1.00 0.00 C ATOM 375 CD GLU A 27 -1.989 -13.024 0.996 1.00 0.00 C ATOM 376 OE1 GLU A 27 -2.039 -14.055 0.292 1.00 0.00 O ATOM 377 OE2 GLU A 27 -2.972 -12.573 1.620 1.00 0.00 O ATOM 0 H GLU A 27 -0.249 -8.837 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 27 1.544 -10.927 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.135 -11.159 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.067 -12.410 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.109 -12.980 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.744 -11.520 1.868 1.00 0.00 H new ATOM 384 N ASP A 28 2.927 -10.658 -1.317 1.00 0.00 N ATOM 385 CA ASP A 28 3.773 -10.558 -2.501 1.00 0.00 C ATOM 386 C ASP A 28 3.642 -9.183 -3.148 1.00 0.00 C ATOM 387 O ASP A 28 3.817 -9.035 -4.357 1.00 0.00 O ATOM 388 CB ASP A 28 3.405 -11.647 -3.510 1.00 0.00 C ATOM 389 CG ASP A 28 3.974 -13.001 -3.133 1.00 0.00 C ATOM 390 OD1 ASP A 28 5.111 -13.303 -3.550 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.281 -13.759 -2.422 1.00 0.00 O ATOM 0 H ASP A 28 3.428 -10.889 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 28 4.809 -10.696 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.320 -11.719 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.772 -11.364 -4.496 1.00 0.00 H new ATOM 396 N GLY A 29 3.331 -8.178 -2.334 1.00 0.00 N ATOM 397 CA GLY A 29 3.180 -6.828 -2.846 1.00 0.00 C ATOM 398 C GLY A 29 1.771 -6.545 -3.328 1.00 0.00 C ATOM 399 O GLY A 29 1.544 -5.593 -4.076 1.00 0.00 O ATOM 0 H GLY A 29 3.181 -8.275 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.444 -6.115 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.880 -6.674 -3.668 1.00 0.00 H new ATOM 403 N ILE A 30 0.824 -7.373 -2.901 1.00 0.00 N ATOM 404 CA ILE A 30 -0.570 -7.206 -3.294 1.00 0.00 C ATOM 405 C ILE A 30 -1.508 -7.482 -2.125 1.00 0.00 C ATOM 406 O ILE A 30 -1.530 -8.586 -1.580 1.00 0.00 O ATOM 407 CB ILE A 30 -0.939 -8.137 -4.465 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.056 -7.966 -5.614 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.357 -7.855 -4.938 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.259 -8.825 -6.819 1.00 0.00 C ATOM 0 H ILE A 30 0.996 -8.166 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.686 -6.170 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.891 -9.169 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.071 -6.919 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.057 -8.209 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.604 -8.520 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.054 -8.023 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.430 -6.820 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.487 -8.652 -7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.246 -9.876 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.246 -8.567 -7.202 1.00 0.00 H new ATOM 422 N ILE A 31 -2.283 -6.472 -1.744 1.00 0.00 N ATOM 423 CA ILE A 31 -3.226 -6.606 -0.641 1.00 0.00 C ATOM 424 C ILE A 31 -4.238 -7.715 -0.915 1.00 0.00 C ATOM 425 O ILE A 31 -4.752 -7.839 -2.027 1.00 0.00 O ATOM 426 CB ILE A 31 -3.982 -5.290 -0.382 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.995 -4.161 -0.077 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.969 -5.461 0.763 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.518 -2.788 -0.433 1.00 0.00 C ATOM 0 H ILE A 31 -2.276 -5.552 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.642 -6.859 0.244 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.540 -5.027 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.748 -4.183 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.069 -4.341 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.495 -4.522 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.689 -6.239 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.431 -5.745 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.766 -2.038 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.739 -2.748 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.427 -2.587 0.133 1.00 0.00 H new ATOM 441 N CYS A 32 -4.519 -8.516 0.107 1.00 0.00 N ATOM 442 CA CYS A 32 -5.470 -9.614 -0.023 1.00 0.00 C ATOM 443 C CYS A 32 -6.714 -9.359 0.823 1.00 0.00 C ATOM 444 O CYS A 32 -7.822 -9.249 0.298 1.00 0.00 O ATOM 445 CB CYS A 32 -4.818 -10.933 0.393 1.00 0.00 C ATOM 446 SG CYS A 32 -5.488 -12.386 -0.450 1.00 0.00 S ATOM 0 H CYS A 32 -4.102 -8.426 1.034 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.771 -9.680 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.747 -10.874 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.939 -11.062 1.469 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.816 -13.441 -0.096 1.00 0.00 H new ATOM 452 N SER A 33 -6.522 -9.267 2.135 1.00 0.00 N ATOM 453 CA SER A 33 -7.628 -9.031 3.055 1.00 0.00 C ATOM 454 C SER A 33 -7.460 -7.696 3.775 1.00 0.00 C ATOM 455 O SER A 33 -6.347 -7.188 3.914 1.00 0.00 O ATOM 456 CB SER A 33 -7.722 -10.166 4.076 1.00 0.00 C ATOM 457 OG SER A 33 -8.935 -10.096 4.806 1.00 0.00 O ATOM 0 H SER A 33 -5.610 -9.352 2.585 1.00 0.00 H new ATOM 0 HA SER A 33 -8.550 -8.998 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.657 -11.126 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.877 -10.113 4.763 1.00 0.00 H new ATOM 0 HG SER A 33 -8.972 -10.833 5.451 1.00 0.00 H new ATOM 463 N LEU A 34 -8.574 -7.133 4.230 1.00 0.00 N ATOM 464 CA LEU A 34 -8.552 -5.856 4.936 1.00 0.00 C ATOM 465 C LEU A 34 -9.300 -5.955 6.262 1.00 0.00 C ATOM 466 O LEU A 34 -10.420 -6.463 6.319 1.00 0.00 O ATOM 467 CB LEU A 34 -9.172 -4.760 4.068 1.00 0.00 C ATOM 468 CG LEU A 34 -8.680 -3.337 4.332 1.00 0.00 C ATOM 469 CD1 LEU A 34 -9.259 -2.373 3.307 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.043 -2.899 5.743 1.00 0.00 C ATOM 0 H LEU A 34 -9.503 -7.540 4.123 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.513 -5.601 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.981 -5.001 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.253 -4.781 4.208 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.594 -3.326 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.898 -1.365 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.947 -2.675 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.347 -2.388 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.685 -1.884 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.126 -2.927 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.579 -3.572 6.464 1.00 0.00 H new ATOM 482 N LEU A 35 -8.674 -5.464 7.326 1.00 0.00 N ATOM 483 CA LEU A 35 -9.281 -5.494 8.652 1.00 0.00 C ATOM 484 C LEU A 35 -10.455 -4.524 8.736 1.00 0.00 C ATOM 485 O LEU A 35 -10.272 -3.307 8.688 1.00 0.00 O ATOM 486 CB LEU A 35 -8.241 -5.148 9.719 1.00 0.00 C ATOM 487 CG LEU A 35 -8.714 -5.232 11.171 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.548 -6.646 11.705 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.954 -4.239 12.038 1.00 0.00 C ATOM 0 H LEU A 35 -7.747 -5.040 7.296 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.654 -6.503 8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.388 -5.816 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.882 -4.136 9.533 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.773 -4.975 11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.890 -6.687 12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.138 -7.335 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.497 -6.931 11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.304 -4.313 13.068 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.888 -4.464 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.125 -3.228 11.668 1.00 0.00 H new ATOM 501 N ARG A 36 -11.660 -5.070 8.865 1.00 0.00 N ATOM 502 CA ARG A 36 -12.863 -4.253 8.957 1.00 0.00 C ATOM 503 C ARG A 36 -12.879 -3.451 10.255 1.00 0.00 C ATOM 504 O ARG A 36 -12.789 -4.014 11.345 1.00 0.00 O ATOM 505 CB ARG A 36 -14.111 -5.134 8.874 1.00 0.00 C ATOM 506 CG ARG A 36 -15.335 -4.409 8.339 1.00 0.00 C ATOM 507 CD ARG A 36 -15.381 -4.442 6.819 1.00 0.00 C ATOM 508 NE ARG A 36 -15.466 -5.806 6.304 1.00 0.00 N ATOM 509 CZ ARG A 36 -15.512 -6.101 5.010 1.00 0.00 C ATOM 510 NH1 ARG A 36 -15.483 -5.133 4.104 1.00 0.00 N ATOM 511 NH2 ARG A 36 -15.589 -7.367 4.619 1.00 0.00 N ATOM 0 H ARG A 36 -11.828 -6.075 8.908 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.862 -3.555 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.898 -5.991 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.336 -5.525 9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.237 -4.870 8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.325 -3.374 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.240 -3.868 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.490 -3.958 6.419 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.491 -6.574 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.425 -4.159 4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.518 -5.363 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.613 -8.114 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.624 -7.592 3.625 1.00 0.00 H new ATOM 525 N GLY A 37 -12.991 -2.133 10.129 1.00 0.00 N ATOM 526 CA GLY A 37 -13.015 -1.275 11.300 1.00 0.00 C ATOM 527 C GLY A 37 -11.625 -0.922 11.788 1.00 0.00 C ATOM 528 O GLY A 37 -11.381 -0.851 12.992 1.00 0.00 O ATOM 0 H GLY A 37 -13.066 -1.643 9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.558 -0.359 11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.562 -1.773 12.100 1.00 0.00 H new ATOM 532 N GLY A 38 -10.708 -0.701 10.851 1.00 0.00 N ATOM 533 CA GLY A 38 -9.345 -0.358 11.212 1.00 0.00 C ATOM 534 C GLY A 38 -8.901 0.962 10.614 1.00 0.00 C ATOM 535 O GLY A 38 -9.717 1.857 10.393 1.00 0.00 O ATOM 0 H GLY A 38 -10.885 -0.753 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.262 -0.308 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.674 -1.149 10.877 1.00 0.00 H new ATOM 539 N ILE A 39 -7.604 1.085 10.353 1.00 0.00 N ATOM 540 CA ILE A 39 -7.053 2.305 9.777 1.00 0.00 C ATOM 541 C ILE A 39 -7.066 2.249 8.253 1.00 0.00 C ATOM 542 O ILE A 39 -7.343 3.247 7.588 1.00 0.00 O ATOM 543 CB ILE A 39 -5.611 2.554 10.258 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.485 2.230 11.748 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.204 3.995 9.987 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.086 2.421 12.291 1.00 0.00 C ATOM 0 H ILE A 39 -6.915 0.354 10.531 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.686 3.126 10.113 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.940 1.897 9.704 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.173 2.862 12.309 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.793 1.198 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.183 4.156 10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.261 4.194 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.877 4.669 10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.071 2.173 13.352 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.396 1.769 11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.782 3.459 12.156 1.00 0.00 H new ATOM 558 N ALA A 40 -6.767 1.075 7.707 1.00 0.00 N ATOM 559 CA ALA A 40 -6.748 0.887 6.262 1.00 0.00 C ATOM 560 C ALA A 40 -8.037 1.395 5.625 1.00 0.00 C ATOM 561 O ALA A 40 -8.019 2.337 4.833 1.00 0.00 O ATOM 562 CB ALA A 40 -6.532 -0.580 5.923 1.00 0.00 C ATOM 0 H ALA A 40 -6.535 0.240 8.244 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.920 1.468 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.520 -0.705 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.580 -0.913 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.341 -1.175 6.348 1.00 0.00 H new ATOM 568 N GLU A 41 -9.154 0.766 5.977 1.00 0.00 N ATOM 569 CA GLU A 41 -10.451 1.154 5.438 1.00 0.00 C ATOM 570 C GLU A 41 -10.636 2.668 5.502 1.00 0.00 C ATOM 571 O GLU A 41 -11.182 3.276 4.581 1.00 0.00 O ATOM 572 CB GLU A 41 -11.577 0.459 6.207 1.00 0.00 C ATOM 573 CG GLU A 41 -12.824 0.216 5.374 1.00 0.00 C ATOM 574 CD GLU A 41 -12.730 -1.045 4.537 1.00 0.00 C ATOM 575 OE1 GLU A 41 -12.075 -2.008 4.986 1.00 0.00 O ATOM 576 OE2 GLU A 41 -13.312 -1.067 3.432 1.00 0.00 O ATOM 0 H GLU A 41 -9.186 -0.014 6.633 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.489 0.844 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.212 -0.496 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.842 1.065 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.689 0.146 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.991 1.071 4.719 1.00 0.00 H new ATOM 583 N ARG A 42 -10.178 3.268 6.595 1.00 0.00 N ATOM 584 CA ARG A 42 -10.294 4.710 6.781 1.00 0.00 C ATOM 585 C ARG A 42 -9.406 5.458 5.791 1.00 0.00 C ATOM 586 O ARG A 42 -9.821 6.452 5.197 1.00 0.00 O ATOM 587 CB ARG A 42 -9.916 5.093 8.213 1.00 0.00 C ATOM 588 CG ARG A 42 -11.032 4.866 9.219 1.00 0.00 C ATOM 589 CD ARG A 42 -10.597 5.241 10.627 1.00 0.00 C ATOM 590 NE ARG A 42 -10.857 6.647 10.924 1.00 0.00 N ATOM 591 CZ ARG A 42 -12.074 7.146 11.112 1.00 0.00 C ATOM 592 NH1 ARG A 42 -13.136 6.357 11.035 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.229 8.437 11.379 1.00 0.00 N ATOM 0 H ARG A 42 -9.723 2.779 7.366 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.331 4.993 6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.042 4.516 8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.627 6.144 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.904 5.457 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.336 3.819 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.123 4.615 11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.533 5.037 10.744 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.061 7.281 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.020 5.364 10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.069 6.742 11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.414 9.047 11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.164 8.819 11.523 1.00 0.00 H new ATOM 607 N GLY A 43 -8.180 4.973 5.619 1.00 0.00 N ATOM 608 CA GLY A 43 -7.252 5.609 4.702 1.00 0.00 C ATOM 609 C GLY A 43 -7.711 5.519 3.259 1.00 0.00 C ATOM 610 O GLY A 43 -7.620 6.491 2.510 1.00 0.00 O ATOM 0 H GLY A 43 -7.813 4.151 6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.134 6.657 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.272 5.141 4.799 1.00 0.00 H new ATOM 614 N GLY A 44 -8.204 4.348 2.868 1.00 0.00 N ATOM 615 CA GLY A 44 -8.669 4.156 1.507 1.00 0.00 C ATOM 616 C GLY A 44 -8.016 2.966 0.833 1.00 0.00 C ATOM 617 O GLY A 44 -7.870 2.939 -0.389 1.00 0.00 O ATOM 0 H GLY A 44 -8.290 3.529 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.750 4.018 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.465 5.056 0.926 1.00 0.00 H new ATOM 621 N ILE A 45 -7.622 1.979 1.631 1.00 0.00 N ATOM 622 CA ILE A 45 -6.981 0.781 1.105 1.00 0.00 C ATOM 623 C ILE A 45 -8.016 -0.227 0.617 1.00 0.00 C ATOM 624 O ILE A 45 -9.046 -0.434 1.259 1.00 0.00 O ATOM 625 CB ILE A 45 -6.086 0.109 2.163 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.918 1.027 2.531 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.574 -1.229 1.652 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.841 1.089 1.471 1.00 0.00 C ATOM 0 H ILE A 45 -7.736 1.986 2.645 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.362 1.098 0.266 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.680 -0.070 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.299 2.033 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.477 0.683 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.943 -1.691 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.419 -1.883 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.993 -1.073 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.045 1.758 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.433 0.092 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.268 1.462 0.540 1.00 0.00 H new ATOM 640 N ARG A 46 -7.734 -0.853 -0.521 1.00 0.00 N ATOM 641 CA ARG A 46 -8.640 -1.840 -1.095 1.00 0.00 C ATOM 642 C ARG A 46 -7.870 -3.058 -1.598 1.00 0.00 C ATOM 643 O ARG A 46 -6.912 -2.928 -2.360 1.00 0.00 O ATOM 644 CB ARG A 46 -9.442 -1.222 -2.242 1.00 0.00 C ATOM 645 CG ARG A 46 -10.728 -0.547 -1.791 1.00 0.00 C ATOM 646 CD ARG A 46 -11.894 -1.524 -1.777 1.00 0.00 C ATOM 647 NE ARG A 46 -12.536 -1.627 -3.085 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.620 -2.361 -3.315 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.179 -3.051 -2.331 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.146 -2.404 -4.533 1.00 0.00 N ATOM 0 H ARG A 46 -6.885 -0.694 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.327 -2.163 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.819 -0.491 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.684 -2.000 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.590 -0.128 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.957 0.285 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.539 -2.507 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.627 -1.203 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.131 -1.108 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.777 -3.020 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.011 -3.613 -2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.718 -1.874 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.978 -2.967 -4.710 1.00 0.00 H new ATOM 664 N VAL A 47 -8.295 -4.240 -1.165 1.00 0.00 N ATOM 665 CA VAL A 47 -7.646 -5.481 -1.571 1.00 0.00 C ATOM 666 C VAL A 47 -7.690 -5.654 -3.085 1.00 0.00 C ATOM 667 O VAL A 47 -8.371 -4.907 -3.787 1.00 0.00 O ATOM 668 CB VAL A 47 -8.306 -6.704 -0.907 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.356 -6.529 0.604 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.701 -6.928 -1.471 1.00 0.00 C ATOM 0 H VAL A 47 -9.086 -4.365 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.608 -5.416 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.703 -7.585 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.826 -7.403 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.343 -6.420 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.935 -5.639 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.153 -7.796 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.316 -6.048 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.636 -7.101 -2.545 1.00 0.00 H new ATOM 680 N GLY A 48 -6.958 -6.646 -3.584 1.00 0.00 N ATOM 681 CA GLY A 48 -6.927 -6.901 -5.012 1.00 0.00 C ATOM 682 C GLY A 48 -5.944 -6.005 -5.739 1.00 0.00 C ATOM 683 O GLY A 48 -5.355 -6.405 -6.744 1.00 0.00 O ATOM 0 H GLY A 48 -6.386 -7.278 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.661 -7.944 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.924 -6.753 -5.426 1.00 0.00 H new ATOM 687 N HIS A 49 -5.765 -4.790 -5.232 1.00 0.00 N ATOM 688 CA HIS A 49 -4.846 -3.835 -5.841 1.00 0.00 C ATOM 689 C HIS A 49 -3.404 -4.146 -5.454 1.00 0.00 C ATOM 690 O HIS A 49 -3.126 -4.542 -4.321 1.00 0.00 O ATOM 691 CB HIS A 49 -5.204 -2.410 -5.417 1.00 0.00 C ATOM 692 CG HIS A 49 -6.234 -1.766 -6.293 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.098 -0.492 -6.804 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.423 -2.227 -6.748 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.159 -0.198 -7.535 1.00 0.00 C ATOM 696 NE2 HIS A 49 -7.978 -1.234 -7.517 1.00 0.00 N ATOM 0 H HIS A 49 -6.244 -4.443 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.939 -3.919 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.571 -2.426 -4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.301 -1.800 -5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.855 -3.196 -6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.328 0.732 -8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.877 -1.288 -7.996 1.00 0.00 H new ATOM 704 N ARG A 50 -2.489 -3.965 -6.401 1.00 0.00 N ATOM 705 CA ARG A 50 -1.076 -4.229 -6.159 1.00 0.00 C ATOM 706 C ARG A 50 -0.339 -2.945 -5.789 1.00 0.00 C ATOM 707 O ARG A 50 -0.757 -1.848 -6.162 1.00 0.00 O ATOM 708 CB ARG A 50 -0.434 -4.859 -7.397 1.00 0.00 C ATOM 709 CG ARG A 50 1.084 -4.903 -7.339 1.00 0.00 C ATOM 710 CD ARG A 50 1.654 -5.852 -8.383 1.00 0.00 C ATOM 711 NE ARG A 50 1.461 -5.351 -9.741 1.00 0.00 N ATOM 712 CZ ARG A 50 1.983 -5.928 -10.818 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.726 -7.019 -10.695 1.00 0.00 N ATOM 714 NH2 ARG A 50 1.762 -5.413 -12.020 1.00 0.00 N ATOM 0 H ARG A 50 -2.701 -3.637 -7.343 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.000 -4.925 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.814 -5.873 -7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.739 -4.298 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.485 -3.902 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.402 -5.219 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.718 -5.997 -8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.177 -6.827 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 50 0.895 -4.513 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.898 -7.417 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.126 -7.460 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.191 -4.573 -12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.163 -5.856 -12.846 1.00 0.00 H new ATOM 728 N ILE A 51 0.757 -3.090 -5.052 1.00 0.00 N ATOM 729 CA ILE A 51 1.552 -1.942 -4.632 1.00 0.00 C ATOM 730 C ILE A 51 2.646 -1.630 -5.647 1.00 0.00 C ATOM 731 O ILE A 51 3.337 -2.529 -6.126 1.00 0.00 O ATOM 732 CB ILE A 51 2.198 -2.179 -3.254 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.175 -2.770 -2.282 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.768 -0.880 -2.706 1.00 0.00 C ATOM 735 CD1 ILE A 51 0.245 -1.739 -1.682 1.00 0.00 C ATOM 0 H ILE A 51 1.115 -3.990 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 51 0.871 -1.094 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 51 3.015 -2.891 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.583 -3.522 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.704 -3.282 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.221 -1.064 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.524 -0.497 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.968 -0.147 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.453 -2.230 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.827 -1.000 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.311 -1.243 -2.478 1.00 0.00 H new ATOM 747 N ILE A 52 2.798 -0.350 -5.969 1.00 0.00 N ATOM 748 CA ILE A 52 3.811 0.082 -6.925 1.00 0.00 C ATOM 749 C ILE A 52 4.760 1.098 -6.300 1.00 0.00 C ATOM 750 O ILE A 52 5.871 1.305 -6.786 1.00 0.00 O ATOM 751 CB ILE A 52 3.171 0.699 -8.183 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.257 1.864 -7.796 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.394 -0.357 -8.955 1.00 0.00 C ATOM 754 CD1 ILE A 52 1.812 2.700 -8.976 1.00 0.00 C ATOM 0 H ILE A 52 2.233 0.406 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 52 4.373 -0.807 -7.212 1.00 0.00 H new ATOM 0 HB ILE A 52 3.964 1.081 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.377 1.471 -7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.779 2.504 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.948 0.095 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.069 -1.158 -9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.607 -0.766 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.167 3.507 -8.628 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.686 3.122 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.262 2.074 -9.679 1.00 0.00 H new ATOM 766 N GLU A 53 4.314 1.728 -5.218 1.00 0.00 N ATOM 767 CA GLU A 53 5.125 2.723 -4.525 1.00 0.00 C ATOM 768 C GLU A 53 4.695 2.855 -3.067 1.00 0.00 C ATOM 769 O GLU A 53 3.544 2.588 -2.721 1.00 0.00 O ATOM 770 CB GLU A 53 5.016 4.079 -5.225 1.00 0.00 C ATOM 771 CG GLU A 53 6.235 4.964 -5.029 1.00 0.00 C ATOM 772 CD GLU A 53 6.127 6.280 -5.776 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.256 7.098 -5.413 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.913 6.491 -6.723 1.00 0.00 O ATOM 0 H GLU A 53 3.396 1.568 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 53 6.163 2.391 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.863 3.917 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.135 4.601 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.367 5.164 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.124 4.431 -5.366 1.00 0.00 H new ATOM 781 N ILE A 54 5.629 3.268 -2.216 1.00 0.00 N ATOM 782 CA ILE A 54 5.348 3.436 -0.796 1.00 0.00 C ATOM 783 C ILE A 54 6.213 4.536 -0.190 1.00 0.00 C ATOM 784 O ILE A 54 7.415 4.602 -0.442 1.00 0.00 O ATOM 785 CB ILE A 54 5.580 2.127 -0.017 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.076 1.815 0.062 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.828 0.980 -0.674 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.756 2.419 1.271 1.00 0.00 C ATOM 0 H ILE A 54 6.587 3.492 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 54 4.298 3.717 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 54 5.199 2.251 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.213 0.734 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.564 2.183 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.002 0.062 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.761 1.203 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.182 0.852 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.814 2.157 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.650 3.504 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.294 2.032 2.179 1.00 0.00 H new ATOM 800 N ASN A 55 5.593 5.396 0.611 1.00 0.00 N ATOM 801 CA ASN A 55 6.307 6.493 1.254 1.00 0.00 C ATOM 802 C ASN A 55 7.368 7.071 0.323 1.00 0.00 C ATOM 803 O ASN A 55 8.426 7.512 0.769 1.00 0.00 O ATOM 804 CB ASN A 55 6.958 6.013 2.553 1.00 0.00 C ATOM 805 CG ASN A 55 5.935 5.591 3.591 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.404 6.422 4.328 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.656 4.294 3.652 1.00 0.00 N ATOM 0 H ASN A 55 4.598 5.355 0.830 1.00 0.00 H new ATOM 0 HA ASN A 55 5.586 7.277 1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.619 5.174 2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.578 6.811 2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.976 3.950 4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.121 3.642 3.020 1.00 0.00 H new ATOM 814 N GLY A 56 7.077 7.065 -0.974 1.00 0.00 N ATOM 815 CA GLY A 56 8.015 7.592 -1.948 1.00 0.00 C ATOM 816 C GLY A 56 9.116 6.605 -2.285 1.00 0.00 C ATOM 817 O GLY A 56 10.271 6.991 -2.459 1.00 0.00 O ATOM 0 H GLY A 56 6.208 6.704 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.478 7.857 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.459 8.509 -1.561 1.00 0.00 H new ATOM 821 N GLN A 57 8.757 5.329 -2.375 1.00 0.00 N ATOM 822 CA GLN A 57 9.724 4.284 -2.690 1.00 0.00 C ATOM 823 C GLN A 57 9.116 3.246 -3.628 1.00 0.00 C ATOM 824 O GLN A 57 8.093 2.637 -3.317 1.00 0.00 O ATOM 825 CB GLN A 57 10.212 3.607 -1.409 1.00 0.00 C ATOM 826 CG GLN A 57 10.885 4.561 -0.435 1.00 0.00 C ATOM 827 CD GLN A 57 12.196 5.107 -0.966 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.250 5.667 -2.062 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.262 4.947 -0.191 1.00 0.00 N ATOM 0 H GLN A 57 7.804 4.994 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 57 10.573 4.749 -3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.365 3.133 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.913 2.814 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.211 5.390 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.066 4.044 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.172 4.477 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.171 5.294 -0.496 1.00 0.00 H new ATOM 838 N SER A 58 9.754 3.049 -4.778 1.00 0.00 N ATOM 839 CA SER A 58 9.275 2.087 -5.763 1.00 0.00 C ATOM 840 C SER A 58 9.504 0.657 -5.283 1.00 0.00 C ATOM 841 O SER A 58 10.644 0.218 -5.127 1.00 0.00 O ATOM 842 CB SER A 58 9.977 2.306 -7.104 1.00 0.00 C ATOM 843 OG SER A 58 11.341 1.926 -7.034 1.00 0.00 O ATOM 0 H SER A 58 10.604 3.543 -5.050 1.00 0.00 H new ATOM 0 HA SER A 58 8.204 2.240 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.475 1.728 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.903 3.355 -7.390 1.00 0.00 H new ATOM 0 HG SER A 58 11.476 1.330 -6.268 1.00 0.00 H new ATOM 849 N VAL A 59 8.413 -0.065 -5.050 1.00 0.00 N ATOM 850 CA VAL A 59 8.493 -1.445 -4.589 1.00 0.00 C ATOM 851 C VAL A 59 8.041 -2.415 -5.675 1.00 0.00 C ATOM 852 O VAL A 59 7.918 -3.617 -5.438 1.00 0.00 O ATOM 853 CB VAL A 59 7.635 -1.667 -3.329 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.142 -0.809 -2.180 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.172 -1.371 -3.622 1.00 0.00 C ATOM 0 H VAL A 59 7.462 0.284 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 59 9.538 -1.637 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 59 7.718 -2.713 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.524 -0.979 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.175 -1.075 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.091 0.243 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.580 -1.533 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.068 -0.335 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.818 -2.033 -4.412 1.00 0.00 H new ATOM 865 N VAL A 60 7.796 -1.885 -6.869 1.00 0.00 N ATOM 866 CA VAL A 60 7.359 -2.703 -7.994 1.00 0.00 C ATOM 867 C VAL A 60 8.376 -3.796 -8.306 1.00 0.00 C ATOM 868 O VAL A 60 8.049 -4.800 -8.938 1.00 0.00 O ATOM 869 CB VAL A 60 7.136 -1.849 -9.256 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.289 -0.877 -9.454 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.964 -2.740 -10.478 1.00 0.00 C ATOM 0 H VAL A 60 7.893 -0.892 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 60 6.414 -3.162 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 60 6.222 -1.270 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.114 -0.282 -10.350 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.361 -0.217 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.219 -1.434 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.807 -2.120 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.859 -3.347 -10.615 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.102 -3.392 -10.335 1.00 0.00 H new ATOM 881 N ALA A 61 9.610 -3.593 -7.858 1.00 0.00 N ATOM 882 CA ALA A 61 10.675 -4.563 -8.087 1.00 0.00 C ATOM 883 C ALA A 61 11.211 -5.111 -6.769 1.00 0.00 C ATOM 884 O ALA A 61 11.808 -6.187 -6.729 1.00 0.00 O ATOM 885 CB ALA A 61 11.799 -3.931 -8.894 1.00 0.00 C ATOM 0 H ALA A 61 9.898 -2.766 -7.335 1.00 0.00 H new ATOM 0 HA ALA A 61 10.259 -5.396 -8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.587 -4.666 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.412 -3.594 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.205 -3.079 -8.348 1.00 0.00 H new ATOM 891 N THR A 62 10.994 -4.364 -5.690 1.00 0.00 N ATOM 892 CA THR A 62 11.457 -4.774 -4.371 1.00 0.00 C ATOM 893 C THR A 62 10.687 -5.992 -3.872 1.00 0.00 C ATOM 894 O THR A 62 9.472 -6.100 -4.040 1.00 0.00 O ATOM 895 CB THR A 62 11.313 -3.634 -3.345 1.00 0.00 C ATOM 896 OG1 THR A 62 12.131 -2.524 -3.729 1.00 0.00 O ATOM 897 CG2 THR A 62 11.708 -4.105 -1.954 1.00 0.00 C ATOM 0 H THR A 62 10.500 -3.472 -5.705 1.00 0.00 H new ATOM 0 HA THR A 62 12.512 -5.030 -4.472 1.00 0.00 H new ATOM 0 HB THR A 62 10.268 -3.324 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.033 -1.803 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.598 -3.283 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.064 -4.931 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.746 -4.439 -1.964 1.00 0.00 H new ATOM 905 N PRO A 63 11.408 -6.932 -3.243 1.00 0.00 N ATOM 906 CA PRO A 63 10.812 -8.159 -2.706 1.00 0.00 C ATOM 907 C PRO A 63 9.924 -7.890 -1.495 1.00 0.00 C ATOM 908 O PRO A 63 10.259 -7.073 -0.637 1.00 0.00 O ATOM 909 CB PRO A 63 12.028 -8.997 -2.302 1.00 0.00 C ATOM 910 CG PRO A 63 13.106 -8.001 -2.048 1.00 0.00 C ATOM 911 CD PRO A 63 12.860 -6.870 -3.008 1.00 0.00 C ATOM 0 HA PRO A 63 10.162 -8.648 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.821 -9.592 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.310 -9.693 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.078 -7.650 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.090 -8.442 -2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.158 -5.911 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.423 -6.998 -3.933 1.00 0.00 H new ATOM 919 N HIS A 64 8.792 -8.583 -1.432 1.00 0.00 N ATOM 920 CA HIS A 64 7.856 -8.420 -0.325 1.00 0.00 C ATOM 921 C HIS A 64 8.597 -8.345 1.006 1.00 0.00 C ATOM 922 O HIS A 64 8.395 -7.418 1.789 1.00 0.00 O ATOM 923 CB HIS A 64 6.855 -9.575 -0.301 1.00 0.00 C ATOM 924 CG HIS A 64 5.862 -9.484 0.817 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.697 -8.752 0.730 1.00 0.00 N ATOM 926 CD2 HIS A 64 5.865 -10.039 2.051 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.026 -8.859 1.863 1.00 0.00 C ATOM 928 NE2 HIS A 64 4.713 -9.636 2.681 1.00 0.00 N ATOM 0 H HIS A 64 8.500 -9.263 -2.134 1.00 0.00 H new ATOM 0 HA HIS A 64 7.316 -7.485 -0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.320 -9.601 -1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.400 -10.515 -0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.630 -10.679 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.078 -8.391 2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.433 -9.895 3.627 1.00 0.00 H new ATOM 936 N ALA A 65 9.456 -9.328 1.255 1.00 0.00 N ATOM 937 CA ALA A 65 10.228 -9.373 2.491 1.00 0.00 C ATOM 938 C ALA A 65 10.617 -7.971 2.947 1.00 0.00 C ATOM 939 O ALA A 65 10.331 -7.574 4.077 1.00 0.00 O ATOM 940 CB ALA A 65 11.470 -10.233 2.307 1.00 0.00 C ATOM 0 H ALA A 65 9.635 -10.104 0.617 1.00 0.00 H new ATOM 0 HA ALA A 65 9.602 -9.818 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.037 -10.258 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.174 -11.246 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.090 -9.812 1.516 1.00 0.00 H new ATOM 946 N ARG A 66 11.271 -7.226 2.062 1.00 0.00 N ATOM 947 CA ARG A 66 11.700 -5.868 2.374 1.00 0.00 C ATOM 948 C ARG A 66 10.499 -4.939 2.526 1.00 0.00 C ATOM 949 O ARG A 66 10.449 -4.118 3.442 1.00 0.00 O ATOM 950 CB ARG A 66 12.632 -5.341 1.282 1.00 0.00 C ATOM 951 CG ARG A 66 13.642 -4.322 1.782 1.00 0.00 C ATOM 952 CD ARG A 66 12.973 -3.226 2.596 1.00 0.00 C ATOM 953 NE ARG A 66 13.704 -1.964 2.522 1.00 0.00 N ATOM 954 CZ ARG A 66 14.861 -1.748 3.138 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.415 -2.705 3.870 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.467 -0.573 3.023 1.00 0.00 N ATOM 0 H ARG A 66 11.515 -7.540 1.123 1.00 0.00 H new ATOM 0 HA ARG A 66 12.239 -5.893 3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.166 -6.180 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.033 -4.888 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.393 -4.823 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.164 -3.879 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.955 -3.077 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.899 -3.541 3.637 1.00 0.00 H new ATOM 0 HE ARG A 66 13.304 -1.207 1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.953 -3.610 3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.303 -2.536 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.044 0.166 2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.355 -0.409 3.497 1.00 0.00 H new ATOM 970 N ILE A 67 9.535 -5.075 1.622 1.00 0.00 N ATOM 971 CA ILE A 67 8.335 -4.249 1.655 1.00 0.00 C ATOM 972 C ILE A 67 7.747 -4.191 3.061 1.00 0.00 C ATOM 973 O ILE A 67 7.218 -3.161 3.482 1.00 0.00 O ATOM 974 CB ILE A 67 7.262 -4.774 0.683 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.796 -4.770 -0.750 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.997 -3.934 0.786 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.887 -5.471 -1.736 1.00 0.00 C ATOM 0 H ILE A 67 9.562 -5.750 0.857 1.00 0.00 H new ATOM 0 HA ILE A 67 8.633 -3.247 1.346 1.00 0.00 H new ATOM 0 HB ILE A 67 7.016 -5.800 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.941 -3.739 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.775 -5.250 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.248 -4.317 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.609 -3.984 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.227 -2.898 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.329 -5.429 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.761 -6.512 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.915 -4.978 -1.749 1.00 0.00 H new ATOM 989 N ILE A 68 7.843 -5.302 3.783 1.00 0.00 N ATOM 990 CA ILE A 68 7.324 -5.377 5.143 1.00 0.00 C ATOM 991 C ILE A 68 8.128 -4.491 6.088 1.00 0.00 C ATOM 992 O ILE A 68 7.569 -3.839 6.970 1.00 0.00 O ATOM 993 CB ILE A 68 7.340 -6.822 5.673 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.474 -7.723 4.790 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.857 -6.863 7.115 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.028 -7.287 4.716 1.00 0.00 C ATOM 0 H ILE A 68 8.276 -6.163 3.449 1.00 0.00 H new ATOM 0 HA ILE A 68 6.293 -5.024 5.107 1.00 0.00 H new ATOM 0 HB ILE A 68 8.365 -7.192 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.892 -7.741 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.518 -8.743 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.874 -7.892 7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.511 -6.250 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.839 -6.477 7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.474 -7.971 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.594 -7.296 5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.973 -6.279 4.306 1.00 0.00 H new ATOM 1008 N GLU A 69 9.443 -4.472 5.897 1.00 0.00 N ATOM 1009 CA GLU A 69 10.324 -3.665 6.733 1.00 0.00 C ATOM 1010 C GLU A 69 10.110 -2.176 6.470 1.00 0.00 C ATOM 1011 O GLU A 69 10.192 -1.355 7.385 1.00 0.00 O ATOM 1012 CB GLU A 69 11.787 -4.034 6.476 1.00 0.00 C ATOM 1013 CG GLU A 69 12.269 -5.217 7.298 1.00 0.00 C ATOM 1014 CD GLU A 69 11.759 -6.543 6.768 1.00 0.00 C ATOM 1015 OE1 GLU A 69 10.605 -6.903 7.081 1.00 0.00 O ATOM 1016 OE2 GLU A 69 12.514 -7.220 6.039 1.00 0.00 O ATOM 0 H GLU A 69 9.922 -5.006 5.171 1.00 0.00 H new ATOM 0 HA GLU A 69 10.082 -3.871 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.915 -4.261 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.415 -3.170 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.359 -5.229 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.943 -5.094 8.331 1.00 0.00 H new ATOM 1023 N LEU A 70 9.837 -1.836 5.216 1.00 0.00 N ATOM 1024 CA LEU A 70 9.612 -0.447 4.831 1.00 0.00 C ATOM 1025 C LEU A 70 8.302 0.073 5.415 1.00 0.00 C ATOM 1026 O LEU A 70 8.301 0.945 6.285 1.00 0.00 O ATOM 1027 CB LEU A 70 9.592 -0.316 3.307 1.00 0.00 C ATOM 1028 CG LEU A 70 10.958 -0.272 2.620 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.807 -0.476 1.121 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.660 1.046 2.913 1.00 0.00 C ATOM 0 H LEU A 70 9.766 -2.503 4.448 1.00 0.00 H new ATOM 0 HA LEU A 70 10.430 0.153 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.028 -1.154 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.047 0.592 3.047 1.00 0.00 H new ATOM 0 HG LEU A 70 11.570 -1.082 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.789 -0.442 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.346 -1.445 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.178 0.312 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.630 1.060 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.052 1.872 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.801 1.152 3.989 1.00 0.00 H new ATOM 1042 N LEU A 71 7.189 -0.467 4.931 1.00 0.00 N ATOM 1043 CA LEU A 71 5.871 -0.059 5.406 1.00 0.00 C ATOM 1044 C LEU A 71 5.858 0.077 6.925 1.00 0.00 C ATOM 1045 O LEU A 71 5.361 1.064 7.468 1.00 0.00 O ATOM 1046 CB LEU A 71 4.812 -1.070 4.964 1.00 0.00 C ATOM 1047 CG LEU A 71 4.337 -0.953 3.515 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.480 -2.151 3.136 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.565 0.342 3.310 1.00 0.00 C ATOM 0 H LEU A 71 7.173 -1.188 4.210 1.00 0.00 H new ATOM 0 HA LEU A 71 5.640 0.913 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.211 -2.073 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.946 -0.969 5.619 1.00 0.00 H new ATOM 0 HG LEU A 71 5.213 -0.938 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.151 -2.050 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.064 -3.065 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.610 -2.197 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.235 0.408 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.697 0.356 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.210 1.190 3.541 1.00 0.00 H new ATOM 1061 N THR A 72 6.410 -0.921 7.608 1.00 0.00 N ATOM 1062 CA THR A 72 6.463 -0.914 9.065 1.00 0.00 C ATOM 1063 C THR A 72 7.410 0.167 9.575 1.00 0.00 C ATOM 1064 O THR A 72 7.161 0.783 10.610 1.00 0.00 O ATOM 1065 CB THR A 72 6.914 -2.279 9.618 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.012 -3.304 9.188 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.975 -2.253 11.138 1.00 0.00 C ATOM 0 H THR A 72 6.827 -1.745 7.175 1.00 0.00 H new ATOM 0 HA THR A 72 5.453 -0.704 9.417 1.00 0.00 H new ATOM 0 HB THR A 72 7.912 -2.491 9.234 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.340 -3.700 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.296 -3.228 11.506 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.685 -1.492 11.461 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.988 -2.021 11.538 1.00 0.00 H new ATOM 1075 N GLU A 73 8.495 0.391 8.841 1.00 0.00 N ATOM 1076 CA GLU A 73 9.479 1.398 9.221 1.00 0.00 C ATOM 1077 C GLU A 73 8.882 2.800 9.138 1.00 0.00 C ATOM 1078 O GLU A 73 9.411 3.747 9.719 1.00 0.00 O ATOM 1079 CB GLU A 73 10.712 1.303 8.320 1.00 0.00 C ATOM 1080 CG GLU A 73 11.737 0.287 8.797 1.00 0.00 C ATOM 1081 CD GLU A 73 12.753 0.887 9.750 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.696 1.551 9.272 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.604 0.691 10.975 1.00 0.00 O ATOM 0 H GLU A 73 8.715 -0.111 7.981 1.00 0.00 H new ATOM 0 HA GLU A 73 9.776 1.208 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.395 1.040 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.185 2.283 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.223 -0.537 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.256 -0.132 7.935 1.00 0.00 H new ATOM 1090 N ALA A 74 7.777 2.924 8.410 1.00 0.00 N ATOM 1091 CA ALA A 74 7.107 4.209 8.252 1.00 0.00 C ATOM 1092 C ALA A 74 5.957 4.354 9.242 1.00 0.00 C ATOM 1093 O ALA A 74 4.986 3.598 9.195 1.00 0.00 O ATOM 1094 CB ALA A 74 6.601 4.368 6.825 1.00 0.00 C ATOM 0 H ALA A 74 7.327 2.150 7.921 1.00 0.00 H new ATOM 0 HA ALA A 74 7.831 4.997 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.103 5.332 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.442 4.318 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.896 3.569 6.598 1.00 0.00 H new ATOM 1100 N TYR A 75 6.072 5.328 10.137 1.00 0.00 N ATOM 1101 CA TYR A 75 5.043 5.570 11.141 1.00 0.00 C ATOM 1102 C TYR A 75 4.260 6.840 10.824 1.00 0.00 C ATOM 1103 O TYR A 75 4.658 7.632 9.970 1.00 0.00 O ATOM 1104 CB TYR A 75 5.672 5.680 12.531 1.00 0.00 C ATOM 1105 CG TYR A 75 6.839 4.741 12.744 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.076 4.997 12.166 1.00 0.00 C ATOM 1107 CD2 TYR A 75 6.703 3.598 13.522 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.144 4.142 12.357 1.00 0.00 C ATOM 1109 CE2 TYR A 75 7.765 2.738 13.720 1.00 0.00 C ATOM 1110 CZ TYR A 75 8.984 3.014 13.135 1.00 0.00 C ATOM 1111 OH TYR A 75 10.045 2.160 13.329 1.00 0.00 O ATOM 0 H TYR A 75 6.868 5.963 10.188 1.00 0.00 H new ATOM 0 HA TYR A 75 4.353 4.726 11.127 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.008 6.705 12.689 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.910 5.475 13.283 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.205 5.880 11.557 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.750 3.378 13.980 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.099 4.355 11.900 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.642 1.855 14.329 1.00 0.00 H new ATOM 0 HH TYR A 75 9.765 1.416 13.902 1.00 0.00 H new ATOM 1121 N GLY A 76 3.142 7.029 11.519 1.00 0.00 N ATOM 1122 CA GLY A 76 2.320 8.204 11.299 1.00 0.00 C ATOM 1123 C GLY A 76 1.760 8.263 9.891 1.00 0.00 C ATOM 1124 O GLY A 76 1.019 7.374 9.474 1.00 0.00 O ATOM 0 H GLY A 76 2.791 6.388 12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.498 8.208 12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.912 9.099 11.489 1.00 0.00 H new ATOM 1128 N GLU A 77 2.113 9.315 9.159 1.00 0.00 N ATOM 1129 CA GLU A 77 1.637 9.487 7.792 1.00 0.00 C ATOM 1130 C GLU A 77 2.319 8.499 6.850 1.00 0.00 C ATOM 1131 O GLU A 77 3.540 8.520 6.688 1.00 0.00 O ATOM 1132 CB GLU A 77 1.891 10.920 7.317 1.00 0.00 C ATOM 1133 CG GLU A 77 1.034 11.328 6.130 1.00 0.00 C ATOM 1134 CD GLU A 77 1.015 12.829 5.913 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.060 13.474 6.137 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.046 13.357 5.519 1.00 0.00 O ATOM 0 H GLU A 77 2.726 10.060 9.490 1.00 0.00 H new ATOM 0 HA GLU A 77 0.565 9.292 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.704 11.606 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.942 11.024 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.409 10.839 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.015 10.974 6.284 1.00 0.00 H new ATOM 1143 N VAL A 78 1.522 7.634 6.231 1.00 0.00 N ATOM 1144 CA VAL A 78 2.048 6.638 5.305 1.00 0.00 C ATOM 1145 C VAL A 78 1.386 6.758 3.936 1.00 0.00 C ATOM 1146 O VAL A 78 0.197 6.477 3.782 1.00 0.00 O ATOM 1147 CB VAL A 78 1.840 5.209 5.840 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.408 4.186 4.868 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.472 5.058 7.215 1.00 0.00 C ATOM 0 H VAL A 78 0.510 7.603 6.354 1.00 0.00 H new ATOM 0 HA VAL A 78 3.117 6.829 5.207 1.00 0.00 H new ATOM 0 HB VAL A 78 0.769 5.028 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.252 3.182 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.904 4.280 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.476 4.362 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.315 4.042 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.541 5.259 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.013 5.765 7.906 1.00 0.00 H new ATOM 1159 N HIS A 79 2.165 7.176 2.943 1.00 0.00 N ATOM 1160 CA HIS A 79 1.655 7.332 1.586 1.00 0.00 C ATOM 1161 C HIS A 79 1.819 6.039 0.792 1.00 0.00 C ATOM 1162 O HIS A 79 2.912 5.721 0.323 1.00 0.00 O ATOM 1163 CB HIS A 79 2.379 8.475 0.874 1.00 0.00 C ATOM 1164 CG HIS A 79 2.065 9.826 1.439 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.705 10.903 0.658 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.058 10.271 2.717 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.491 11.953 1.430 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.698 11.596 2.685 1.00 0.00 N ATOM 0 H HIS A 79 3.151 7.413 3.053 1.00 0.00 H new ATOM 0 HA HIS A 79 0.593 7.568 1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.454 8.306 0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.112 8.461 -0.183 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.617 10.891 -0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.292 9.692 3.598 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.197 12.936 1.093 1.00 0.00 H new ATOM 1176 N ILE A 80 0.726 5.297 0.647 1.00 0.00 N ATOM 1177 CA ILE A 80 0.749 4.039 -0.089 1.00 0.00 C ATOM 1178 C ILE A 80 0.120 4.199 -1.469 1.00 0.00 C ATOM 1179 O ILE A 80 -1.012 4.666 -1.598 1.00 0.00 O ATOM 1180 CB ILE A 80 0.008 2.926 0.674 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.847 2.446 1.861 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.313 1.767 -0.258 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.020 1.907 3.007 1.00 0.00 C ATOM 0 H ILE A 80 -0.186 5.545 1.029 1.00 0.00 H new ATOM 0 HA ILE A 80 1.796 3.757 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.930 3.330 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.532 1.669 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.458 3.273 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.837 0.988 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.945 2.120 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.613 1.361 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.680 1.585 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.646 2.688 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.571 1.059 2.662 1.00 0.00 H new ATOM 1195 N LYS A 81 0.861 3.807 -2.500 1.00 0.00 N ATOM 1196 CA LYS A 81 0.376 3.903 -3.872 1.00 0.00 C ATOM 1197 C LYS A 81 -0.115 2.548 -4.371 1.00 0.00 C ATOM 1198 O LYS A 81 0.683 1.656 -4.666 1.00 0.00 O ATOM 1199 CB LYS A 81 1.483 4.426 -4.790 1.00 0.00 C ATOM 1200 CG LYS A 81 0.969 4.978 -6.109 1.00 0.00 C ATOM 1201 CD LYS A 81 1.892 6.051 -6.662 1.00 0.00 C ATOM 1202 CE LYS A 81 1.570 7.418 -6.078 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.504 8.467 -6.573 1.00 0.00 N ATOM 0 H LYS A 81 1.800 3.420 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.461 4.601 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.036 5.208 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.187 3.619 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.877 4.168 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.029 5.393 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.927 5.793 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.800 6.087 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.547 7.691 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.622 7.370 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.241 9.387 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.476 8.228 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.449 8.520 -7.610 1.00 0.00 H new ATOM 1217 N THR A 82 -1.432 2.399 -4.466 1.00 0.00 N ATOM 1218 CA THR A 82 -2.029 1.153 -4.931 1.00 0.00 C ATOM 1219 C THR A 82 -2.410 1.241 -6.404 1.00 0.00 C ATOM 1220 O THR A 82 -2.728 2.318 -6.909 1.00 0.00 O ATOM 1221 CB THR A 82 -3.281 0.790 -4.110 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.144 1.927 -4.004 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.895 0.308 -2.719 1.00 0.00 C ATOM 0 H THR A 82 -2.106 3.126 -4.227 1.00 0.00 H new ATOM 0 HA THR A 82 -1.278 0.374 -4.799 1.00 0.00 H new ATOM 0 HB THR A 82 -3.805 -0.016 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.938 1.687 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.795 0.058 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.262 -0.575 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.351 1.096 -2.199 1.00 0.00 H new ATOM 1231 N MET A 83 -2.377 0.103 -7.088 1.00 0.00 N ATOM 1232 CA MET A 83 -2.721 0.052 -8.505 1.00 0.00 C ATOM 1233 C MET A 83 -3.101 -1.365 -8.922 1.00 0.00 C ATOM 1234 O MET A 83 -2.489 -2.347 -8.501 1.00 0.00 O ATOM 1235 CB MET A 83 -1.549 0.549 -9.354 1.00 0.00 C ATOM 1236 CG MET A 83 -1.970 1.106 -10.704 1.00 0.00 C ATOM 1237 SD MET A 83 -0.639 1.992 -11.537 1.00 0.00 S ATOM 1238 CE MET A 83 -1.566 2.952 -12.731 1.00 0.00 C ATOM 0 H MET A 83 -2.116 -0.797 -6.685 1.00 0.00 H new ATOM 0 HA MET A 83 -3.580 0.702 -8.668 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.013 1.322 -8.802 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.850 -0.273 -9.511 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.310 0.288 -11.340 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.818 1.777 -10.567 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.885 3.595 -13.289 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.077 2.280 -13.420 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.301 3.567 -12.212 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.136 -1.476 -9.768 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.621 -2.769 -10.260 1.00 0.00 C ATOM 1250 C PRO A 84 -3.638 -3.429 -11.220 1.00 0.00 C ATOM 1251 O PRO A 84 -3.379 -2.916 -12.308 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.918 -2.408 -10.987 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.744 -0.984 -11.389 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.912 -0.348 -10.310 1.00 0.00 C ATOM 0 HA PRO A 84 -4.755 -3.488 -9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.076 -3.048 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.784 -2.533 -10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.250 -0.910 -12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.708 -0.485 -11.484 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.263 0.431 -10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.534 0.117 -9.545 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.093 -4.571 -10.811 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.141 -5.302 -11.637 1.00 0.00 C ATOM 1264 C ALA A 85 -2.554 -5.278 -13.105 1.00 0.00 C ATOM 1265 O ALA A 85 -1.713 -5.162 -13.995 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.010 -6.737 -11.147 1.00 0.00 C ATOM 0 H ALA A 85 -3.295 -5.009 -9.912 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.172 -4.810 -11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.296 -7.272 -11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.660 -6.738 -10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.981 -7.230 -11.202 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.856 -5.388 -13.350 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.381 -5.377 -14.709 1.00 0.00 C ATOM 1274 C ALA A 86 -3.886 -4.158 -15.479 1.00 0.00 C ATOM 1275 O ALA A 86 -3.086 -4.279 -16.408 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.902 -5.409 -14.688 1.00 0.00 C ATOM 0 H ALA A 86 -4.566 -5.486 -12.624 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.017 -6.269 -15.220 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.280 -5.400 -15.710 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.240 -6.314 -14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.277 -4.535 -14.155 1.00 0.00 H new ATOM 1282 N THR A 87 -4.366 -2.982 -15.089 1.00 0.00 N ATOM 1283 CA THR A 87 -3.974 -1.740 -15.743 1.00 0.00 C ATOM 1284 C THR A 87 -2.457 -1.611 -15.813 1.00 0.00 C ATOM 1285 O THR A 87 -1.873 -1.609 -16.897 1.00 0.00 O ATOM 1286 CB THR A 87 -4.549 -0.513 -15.011 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.978 -0.597 -14.962 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.136 0.775 -15.707 1.00 0.00 C ATOM 0 H THR A 87 -5.028 -2.863 -14.322 1.00 0.00 H new ATOM 0 HA THR A 87 -4.380 -1.774 -16.754 1.00 0.00 H new ATOM 0 HB THR A 87 -4.151 -0.503 -13.996 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.336 0.186 -14.494 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.554 1.628 -15.172 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.049 0.850 -15.717 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.509 0.771 -16.731 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.823 -1.504 -14.650 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.373 -1.372 -14.579 1.00 0.00 C ATOM 1298 C TYR A 88 0.305 -2.238 -15.637 1.00 0.00 C ATOM 1299 O TYR A 88 0.943 -1.727 -16.558 1.00 0.00 O ATOM 1300 CB TYR A 88 0.129 -1.762 -13.188 1.00 0.00 C ATOM 1301 CG TYR A 88 1.450 -1.126 -12.820 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.680 0.226 -13.048 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.469 -1.875 -12.245 1.00 0.00 C ATOM 1304 CE1 TYR A 88 2.885 0.812 -12.714 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.677 -1.298 -11.907 1.00 0.00 C ATOM 1306 CZ TYR A 88 3.881 0.046 -12.143 1.00 0.00 C ATOM 1307 OH TYR A 88 5.083 0.625 -11.809 1.00 0.00 O ATOM 0 H TYR A 88 -2.291 -1.506 -13.744 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.119 -0.329 -14.770 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.620 -1.478 -12.448 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.231 -2.846 -13.139 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.903 0.829 -13.494 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.314 -2.927 -12.059 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.047 1.864 -12.899 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.458 -1.895 -11.460 1.00 0.00 H new ATOM 0 HH TYR A 88 5.674 -0.051 -11.417 1.00 0.00 H new ATOM 1317 N ARG A 89 0.161 -3.552 -15.498 1.00 0.00 N ATOM 1318 CA ARG A 89 0.759 -4.490 -16.441 1.00 0.00 C ATOM 1319 C ARG A 89 0.454 -4.083 -17.880 1.00 0.00 C ATOM 1320 O ARG A 89 1.337 -4.093 -18.739 1.00 0.00 O ATOM 1321 CB ARG A 89 0.244 -5.906 -16.180 1.00 0.00 C ATOM 1322 CG ARG A 89 0.880 -6.572 -14.971 1.00 0.00 C ATOM 1323 CD ARG A 89 0.912 -8.085 -15.121 1.00 0.00 C ATOM 1324 NE ARG A 89 0.856 -8.765 -13.830 1.00 0.00 N ATOM 1325 CZ ARG A 89 0.977 -10.080 -13.685 1.00 0.00 C ATOM 1326 NH1 ARG A 89 1.160 -10.853 -14.747 1.00 0.00 N ATOM 1327 NH2 ARG A 89 0.915 -10.624 -12.477 1.00 0.00 N ATOM 0 H ARG A 89 -0.364 -3.991 -14.742 1.00 0.00 H new ATOM 0 HA ARG A 89 1.839 -4.472 -16.298 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.836 -5.870 -16.038 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.430 -6.519 -17.062 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.895 -6.197 -14.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.323 -6.306 -14.073 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.071 -8.406 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.821 -8.378 -15.646 1.00 0.00 H new ATOM 0 HE ARG A 89 0.716 -8.199 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.208 -10.438 -15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.253 -11.862 -14.633 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.774 -10.033 -11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.008 -11.634 -12.367 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.799 -3.726 -18.135 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.221 -3.317 -19.470 1.00 0.00 C ATOM 1343 C LEU A 90 -0.504 -2.042 -19.901 1.00 0.00 C ATOM 1344 O LEU A 90 -0.294 -1.806 -21.091 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.735 -3.100 -19.504 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.586 -4.344 -19.764 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -4.998 -4.145 -19.235 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.612 -4.671 -21.250 1.00 0.00 C ATOM 0 H LEU A 90 -1.541 -3.711 -17.435 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.958 -4.113 -20.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.041 -2.667 -18.552 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.959 -2.363 -20.275 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.137 -5.185 -19.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.589 -5.040 -19.429 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.962 -3.960 -18.161 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.457 -3.292 -19.735 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.222 -5.559 -21.417 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.036 -3.831 -21.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.597 -4.858 -21.599 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.127 -1.223 -18.925 1.00 0.00 N ATOM 1361 CA LEU A 91 0.570 0.029 -19.202 1.00 0.00 C ATOM 1362 C LEU A 91 2.044 -0.224 -19.503 1.00 0.00 C ATOM 1363 O LEU A 91 2.585 0.285 -20.485 1.00 0.00 O ATOM 1364 CB LEU A 91 0.436 0.984 -18.015 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.991 1.310 -17.573 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -1.022 1.681 -16.099 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.568 2.435 -18.420 1.00 0.00 C ATOM 0 H LEU A 91 -0.292 -1.403 -17.935 1.00 0.00 H new ATOM 0 HA LEU A 91 0.112 0.485 -20.080 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.968 0.554 -17.167 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.939 1.918 -18.267 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.607 0.422 -17.716 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.046 1.910 -15.803 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.651 0.845 -15.506 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.392 2.554 -15.930 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.584 2.654 -18.091 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.951 3.327 -18.309 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.583 2.132 -19.467 1.00 0.00 H new ATOM 1379 N THR A 92 2.689 -1.016 -18.651 1.00 0.00 N ATOM 1380 CA THR A 92 4.099 -1.338 -18.826 1.00 0.00 C ATOM 1381 C THR A 92 4.311 -2.246 -20.031 1.00 0.00 C ATOM 1382 O THR A 92 5.375 -2.236 -20.649 1.00 0.00 O ATOM 1383 CB THR A 92 4.678 -2.022 -17.573 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.916 -3.192 -17.258 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.672 -1.071 -16.385 1.00 0.00 C ATOM 0 H THR A 92 2.256 -1.446 -17.833 1.00 0.00 H new ATOM 0 HA THR A 92 4.620 -0.395 -18.990 1.00 0.00 H new ATOM 0 HB THR A 92 5.709 -2.306 -17.785 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.177 -3.283 -17.895 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.085 -1.576 -15.512 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.277 -0.195 -16.617 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.649 -0.760 -16.173 1.00 0.00 H new ATOM 1393 N GLY A 93 3.290 -3.032 -20.361 1.00 0.00 N ATOM 1394 CA GLY A 93 3.385 -3.936 -21.492 1.00 0.00 C ATOM 1395 C GLY A 93 3.768 -3.222 -22.774 1.00 0.00 C ATOM 1396 O GLY A 93 4.851 -3.445 -23.315 1.00 0.00 O ATOM 0 H GLY A 93 2.399 -3.058 -19.865 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.123 -4.708 -21.275 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.429 -4.440 -21.632 1.00 0.00 H new ATOM 1400 N GLN A 94 2.878 -2.364 -23.260 1.00 0.00 N ATOM 1401 CA GLN A 94 3.128 -1.618 -24.488 1.00 0.00 C ATOM 1402 C GLN A 94 4.543 -1.049 -24.500 1.00 0.00 C ATOM 1403 O GLN A 94 4.987 -0.440 -23.526 1.00 0.00 O ATOM 1404 CB GLN A 94 2.109 -0.487 -24.639 1.00 0.00 C ATOM 1405 CG GLN A 94 0.683 -0.975 -24.837 1.00 0.00 C ATOM 1406 CD GLN A 94 -0.341 0.129 -24.662 1.00 0.00 C ATOM 1407 OE1 GLN A 94 -0.014 1.231 -24.220 1.00 0.00 O ATOM 1408 NE2 GLN A 94 -1.589 -0.161 -25.009 1.00 0.00 N ATOM 0 H GLN A 94 1.978 -2.168 -22.823 1.00 0.00 H new ATOM 0 HA GLN A 94 3.025 -2.305 -25.328 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.148 0.146 -23.753 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.392 0.135 -25.488 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.584 -1.402 -25.835 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.475 -1.775 -24.126 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.816 -1.087 -25.371 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.321 0.542 -24.914 1.00 0.00 H new TER 1417 GLN A 94