USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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 Set 1.1: C 13 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.91) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.0103 USER MOD Set 3.2: A 21 THR OG1 : rot -72:sc= 0.013 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000156) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0191 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.43) USER MOD Single : A 13 ASN : amide:sc= -1.15! K(o=-1.2!,f=-0.099) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.21) USER MOD Single : A 29 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.3) USER MOD Single : A 35 ASN : amide:sc= -0.254 K(o=-0.25,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 176:sc= 0 (180deg=-0.0136) USER MOD Single : C 1 MET N :NH3+ 134:sc= 0.0211 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -145:sc= 0.957 (180deg=0.176) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.12) USER MOD Single : C 29 GLN : amide:sc= -0.506 K(o=-0.51,f=-4!) USER MOD Single : C 35 ASN : amide:sc= -0.206 K(o=-0.21,f=-3.1!) USER MOD Single : C 38 LYS NZ :NH3+ -165:sc= -0.0114 (180deg=-0.215) USER MOD Single : C 43 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-2.2) USER MOD Single : C 48 TYR OH : rot -47:sc= 0.382 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.365 10.118 -2.202 1.00 0.00 N ATOM 2 CA MET A 1 6.891 10.145 -2.251 1.00 0.00 C ATOM 3 C MET A 1 6.403 9.759 -3.642 1.00 0.00 C ATOM 4 O MET A 1 6.974 10.210 -4.629 1.00 0.00 O ATOM 5 CB MET A 1 6.369 11.540 -1.879 1.00 0.00 C ATOM 6 CG MET A 1 4.840 11.577 -1.866 1.00 0.00 C ATOM 7 SD MET A 1 4.094 10.562 -0.564 1.00 0.00 S ATOM 8 CE MET A 1 2.376 10.681 -1.104 1.00 0.00 C ATOM 0 H1 MET A 1 8.707 10.905 -1.615 1.00 0.00 H new ATOM 0 H2 MET A 1 8.682 9.217 -1.792 1.00 0.00 H new ATOM 0 H3 MET A 1 8.746 10.213 -3.165 1.00 0.00 H new ATOM 0 HA MET A 1 6.507 9.424 -1.529 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.750 11.823 -0.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.746 12.274 -2.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.512 12.609 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.470 11.239 -2.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.743 10.099 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.061 11.724 -1.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.285 10.291 -2.118 1.00 0.00 H new ATOM 20 N LEU A 2 5.354 8.935 -3.735 1.00 0.00 N ATOM 21 CA LEU A 2 4.759 8.581 -5.013 1.00 0.00 C ATOM 22 C LEU A 2 3.238 8.582 -4.890 1.00 0.00 C ATOM 23 O LEU A 2 2.700 8.387 -3.800 1.00 0.00 O ATOM 24 CB LEU A 2 5.243 7.188 -5.426 1.00 0.00 C ATOM 25 CG LEU A 2 6.327 7.226 -6.500 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.781 5.797 -6.794 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.810 7.840 -7.800 1.00 0.00 C ATOM 0 H LEU A 2 4.902 8.502 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 2 5.056 9.309 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.627 6.668 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.396 6.609 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 2 7.149 7.837 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.556 5.812 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.179 5.347 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.932 5.211 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.610 7.850 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.975 7.248 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.476 8.861 -7.613 1.00 0.00 H new ATOM 39 N ILE A 3 2.550 8.804 -6.010 1.00 0.00 N ATOM 40 CA ILE A 3 1.096 8.792 -6.077 1.00 0.00 C ATOM 41 C ILE A 3 0.695 8.050 -7.346 1.00 0.00 C ATOM 42 O ILE A 3 1.399 8.123 -8.355 1.00 0.00 O ATOM 43 CB ILE A 3 0.532 10.222 -6.063 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.775 10.917 -4.719 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.984 10.203 -6.253 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.121 11.636 -4.655 1.00 0.00 C ATOM 0 H ILE A 3 2.997 8.999 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 3 0.682 8.286 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 3 1.038 10.753 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.024 11.636 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.726 10.178 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.365 11.224 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.225 9.738 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.445 9.634 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.235 12.109 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.926 10.916 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.164 12.397 -5.434 1.00 0.00 H new ATOM 58 N LEU A 4 -0.433 7.340 -7.292 1.00 0.00 N ATOM 59 CA LEU A 4 -0.907 6.498 -8.378 1.00 0.00 C ATOM 60 C LEU A 4 -2.428 6.484 -8.409 1.00 0.00 C ATOM 61 O LEU A 4 -3.069 6.911 -7.452 1.00 0.00 O ATOM 62 CB LEU A 4 -0.440 5.058 -8.142 1.00 0.00 C ATOM 63 CG LEU A 4 1.076 4.858 -8.198 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.341 3.406 -7.824 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.624 5.124 -9.596 1.00 0.00 C ATOM 0 H LEU A 4 -1.048 7.338 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.514 6.892 -9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.800 4.729 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.905 4.413 -8.888 1.00 0.00 H new ATOM 0 HG LEU A 4 1.567 5.554 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.414 3.214 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.962 3.214 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.837 2.750 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.703 4.972 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.160 4.439 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.401 6.151 -9.885 1.00 0.00 H new ATOM 77 N THR A 5 -3.005 5.994 -9.508 1.00 0.00 N ATOM 78 CA THR A 5 -4.439 5.761 -9.585 1.00 0.00 C ATOM 79 C THR A 5 -4.693 4.375 -10.162 1.00 0.00 C ATOM 80 O THR A 5 -4.649 4.166 -11.374 1.00 0.00 O ATOM 81 CB THR A 5 -5.166 6.849 -10.381 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.542 8.102 -10.207 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.590 6.947 -9.850 1.00 0.00 C ATOM 0 H THR A 5 -2.494 5.752 -10.357 1.00 0.00 H new ATOM 0 HA THR A 5 -4.849 5.808 -8.576 1.00 0.00 H new ATOM 0 HB THR A 5 -5.147 6.590 -11.440 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.022 8.781 -10.725 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.131 7.716 -10.401 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.093 5.988 -9.977 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.567 7.207 -8.792 1.00 0.00 H new ATOM 91 N ARG A 6 -4.966 3.432 -9.257 1.00 0.00 N ATOM 92 CA ARG A 6 -5.211 2.028 -9.551 1.00 0.00 C ATOM 93 C ARG A 6 -6.716 1.770 -9.470 1.00 0.00 C ATOM 94 O ARG A 6 -7.414 2.551 -8.834 1.00 0.00 O ATOM 95 CB ARG A 6 -4.480 1.254 -8.444 1.00 0.00 C ATOM 96 CG ARG A 6 -4.339 -0.250 -8.657 1.00 0.00 C ATOM 97 CD ARG A 6 -3.162 -0.610 -9.559 1.00 0.00 C ATOM 98 NE ARG A 6 -3.498 -0.505 -10.980 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.707 -0.935 -11.965 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.524 -1.487 -11.703 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.102 -0.808 -13.230 1.00 0.00 N ATOM 0 H ARG A 6 -5.024 3.640 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.866 1.731 -10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.483 1.679 -8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.007 1.419 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.214 -0.739 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.259 -0.639 -9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.322 0.049 -9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.836 -1.627 -9.339 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.389 -0.078 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.210 -1.586 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.932 -1.810 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.005 -0.384 -13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.502 -1.135 -13.987 1.00 0.00 H new ATOM 115 N LYS A 7 -7.240 0.700 -10.085 1.00 0.00 N ATOM 116 CA LYS A 7 -8.643 0.335 -9.874 1.00 0.00 C ATOM 117 C LYS A 7 -8.757 -1.084 -9.338 1.00 0.00 C ATOM 118 O LYS A 7 -7.780 -1.828 -9.295 1.00 0.00 O ATOM 119 CB LYS A 7 -9.525 0.514 -11.110 1.00 0.00 C ATOM 120 CG LYS A 7 -9.093 -0.335 -12.302 1.00 0.00 C ATOM 121 CD LYS A 7 -10.300 -0.466 -13.231 1.00 0.00 C ATOM 122 CE LYS A 7 -9.956 -1.226 -14.510 1.00 0.00 C ATOM 123 NZ LYS A 7 -9.336 -2.536 -14.235 1.00 0.00 N ATOM 0 H LYS A 7 -6.726 0.087 -10.717 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.022 1.037 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.553 0.263 -10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.517 1.564 -11.402 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.257 0.132 -12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.755 -1.317 -11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.106 -0.981 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.670 0.527 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.862 -1.372 -15.098 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.277 -0.625 -15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.587 -3.205 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.302 -2.430 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.681 -2.899 -13.323 1.00 0.00 H new ATOM 137 N VAL A 8 -9.971 -1.451 -8.927 1.00 0.00 N ATOM 138 CA VAL A 8 -10.202 -2.712 -8.246 1.00 0.00 C ATOM 139 C VAL A 8 -9.747 -3.907 -9.068 1.00 0.00 C ATOM 140 O VAL A 8 -10.000 -3.988 -10.271 1.00 0.00 O ATOM 141 CB VAL A 8 -11.661 -2.826 -7.799 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.061 -1.552 -7.048 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.649 -3.016 -8.941 1.00 0.00 C ATOM 0 H VAL A 8 -10.810 -0.885 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.583 -2.722 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.710 -3.715 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.100 -1.629 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.421 -1.428 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.947 -0.691 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.660 -3.088 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.588 -2.166 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.408 -3.931 -9.482 1.00 0.00 H new ATOM 153 N GLY A 9 -9.067 -4.837 -8.399 1.00 0.00 N ATOM 154 CA GLY A 9 -8.598 -6.072 -9.011 1.00 0.00 C ATOM 155 C GLY A 9 -7.182 -5.948 -9.571 1.00 0.00 C ATOM 156 O GLY A 9 -6.668 -6.908 -10.145 1.00 0.00 O ATOM 0 H GLY A 9 -8.826 -4.751 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.624 -6.872 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.279 -6.357 -9.813 1.00 0.00 H new ATOM 160 N GLU A 10 -6.544 -4.781 -9.410 1.00 0.00 N ATOM 161 CA GLU A 10 -5.190 -4.551 -9.896 1.00 0.00 C ATOM 162 C GLU A 10 -4.196 -4.511 -8.733 1.00 0.00 C ATOM 163 O GLU A 10 -4.592 -4.663 -7.575 1.00 0.00 O ATOM 164 CB GLU A 10 -5.166 -3.259 -10.714 1.00 0.00 C ATOM 165 CG GLU A 10 -6.163 -3.328 -11.876 1.00 0.00 C ATOM 166 CD GLU A 10 -6.236 -2.016 -12.656 1.00 0.00 C ATOM 167 OE1 GLU A 10 -5.925 -0.954 -12.073 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.609 -2.091 -13.849 1.00 0.00 O ATOM 0 H GLU A 10 -6.957 -3.976 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.885 -5.375 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.409 -2.413 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.162 -3.088 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.875 -4.134 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.152 -3.574 -11.489 1.00 0.00 H new ATOM 175 N SER A 11 -2.904 -4.306 -9.022 1.00 0.00 N ATOM 176 CA SER A 11 -1.856 -4.436 -8.013 1.00 0.00 C ATOM 177 C SER A 11 -0.697 -3.447 -8.192 1.00 0.00 C ATOM 178 O SER A 11 -0.610 -2.729 -9.192 1.00 0.00 O ATOM 179 CB SER A 11 -1.313 -5.863 -8.041 1.00 0.00 C ATOM 180 OG SER A 11 -2.333 -6.784 -7.706 1.00 0.00 O ATOM 0 H SER A 11 -2.564 -4.049 -9.949 1.00 0.00 H new ATOM 0 HA SER A 11 -2.314 -4.202 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.920 -6.090 -9.032 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.484 -5.958 -7.340 1.00 0.00 H new ATOM 0 HG SER A 11 -1.972 -7.695 -7.729 1.00 0.00 H new ATOM 186 N ILE A 12 0.193 -3.432 -7.194 1.00 0.00 N ATOM 187 CA ILE A 12 1.339 -2.537 -7.052 1.00 0.00 C ATOM 188 C ILE A 12 2.408 -3.299 -6.261 1.00 0.00 C ATOM 189 O ILE A 12 2.075 -4.257 -5.565 1.00 0.00 O ATOM 190 CB ILE A 12 0.927 -1.249 -6.305 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.303 -0.607 -6.960 1.00 0.00 C ATOM 192 CG2 ILE A 12 2.082 -0.231 -6.262 1.00 0.00 C ATOM 193 CD1 ILE A 12 -0.774 0.634 -6.205 1.00 0.00 C ATOM 0 H ILE A 12 0.125 -4.088 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 12 1.721 -2.238 -8.028 1.00 0.00 H new ATOM 0 HB ILE A 12 0.678 -1.534 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.066 -0.336 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.113 -1.335 -7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.759 0.664 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.936 -0.671 -5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.370 0.036 -7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.647 1.055 -6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.038 0.360 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.026 1.374 -6.187 1.00 0.00 H new ATOM 205 N ASN A 13 3.680 -2.900 -6.352 1.00 0.00 N ATOM 206 CA ASN A 13 4.770 -3.601 -5.671 1.00 0.00 C ATOM 207 C ASN A 13 5.701 -2.622 -4.967 1.00 0.00 C ATOM 208 O ASN A 13 5.806 -1.458 -5.353 1.00 0.00 O ATOM 209 CB ASN A 13 5.580 -4.452 -6.656 1.00 0.00 C ATOM 210 CG ASN A 13 4.893 -5.767 -6.996 1.00 0.00 C ATOM 211 OD1 ASN A 13 5.435 -6.840 -6.759 1.00 0.00 O ATOM 212 ND2 ASN A 13 3.692 -5.693 -7.553 1.00 0.00 N ATOM 0 H ASN A 13 3.980 -2.090 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 13 4.315 -4.254 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.743 -3.884 -7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.562 -4.659 -6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.190 -6.546 -7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.270 -4.783 -7.736 1.00 0.00 H new ATOM 219 N ILE A 14 6.376 -3.120 -3.925 1.00 0.00 N ATOM 220 CA ILE A 14 7.329 -2.355 -3.135 1.00 0.00 C ATOM 221 C ILE A 14 8.513 -3.260 -2.809 1.00 0.00 C ATOM 222 O ILE A 14 8.344 -4.461 -2.596 1.00 0.00 O ATOM 223 CB ILE A 14 6.664 -1.833 -1.850 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.394 -1.045 -2.190 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.653 -0.950 -1.075 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.706 -0.487 -0.940 1.00 0.00 C ATOM 0 H ILE A 14 6.269 -4.083 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 14 7.675 -1.488 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 14 6.384 -2.681 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.647 -0.224 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.700 -1.692 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.177 -0.583 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.535 -1.535 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.950 -0.105 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.812 0.063 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.427 -1.309 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.389 0.182 -0.417 1.00 0.00 H new ATOM 238 N GLY A 15 9.719 -2.688 -2.770 1.00 0.00 N ATOM 239 CA GLY A 15 10.932 -3.459 -2.565 1.00 0.00 C ATOM 240 C GLY A 15 10.994 -4.604 -3.566 1.00 0.00 C ATOM 241 O GLY A 15 10.647 -4.437 -4.735 1.00 0.00 O ATOM 0 H GLY A 15 9.874 -1.686 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.805 -2.817 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.956 -3.852 -1.548 1.00 0.00 H new ATOM 245 N ASP A 16 11.440 -5.768 -3.092 1.00 0.00 N ATOM 246 CA ASP A 16 11.479 -6.987 -3.882 1.00 0.00 C ATOM 247 C ASP A 16 10.844 -8.129 -3.087 1.00 0.00 C ATOM 248 O ASP A 16 10.936 -9.292 -3.473 1.00 0.00 O ATOM 249 CB ASP A 16 12.928 -7.263 -4.285 1.00 0.00 C ATOM 250 CG ASP A 16 13.060 -8.481 -5.197 1.00 0.00 C ATOM 251 OD1 ASP A 16 12.322 -8.517 -6.207 1.00 0.00 O ATOM 252 OD2 ASP A 16 13.892 -9.359 -4.878 1.00 0.00 O ATOM 0 H ASP A 16 11.786 -5.886 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 16 10.899 -6.886 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.334 -6.388 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.528 -7.418 -3.388 1.00 0.00 H new ATOM 257 N ASP A 17 10.192 -7.793 -1.967 1.00 0.00 N ATOM 258 CA ASP A 17 9.572 -8.763 -1.083 1.00 0.00 C ATOM 259 C ASP A 17 8.203 -8.283 -0.595 1.00 0.00 C ATOM 260 O ASP A 17 7.636 -8.891 0.314 1.00 0.00 O ATOM 261 CB ASP A 17 10.485 -9.049 0.115 1.00 0.00 C ATOM 262 CG ASP A 17 11.862 -9.541 -0.313 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.988 -10.761 -0.561 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.782 -8.696 -0.391 1.00 0.00 O ATOM 0 H ASP A 17 10.084 -6.828 -1.654 1.00 0.00 H new ATOM 0 HA ASP A 17 9.424 -9.682 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.594 -8.143 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.017 -9.797 0.755 1.00 0.00 H new ATOM 269 N ILE A 18 7.661 -7.201 -1.177 1.00 0.00 N ATOM 270 CA ILE A 18 6.357 -6.689 -0.763 1.00 0.00 C ATOM 271 C ILE A 18 5.468 -6.460 -1.982 1.00 0.00 C ATOM 272 O ILE A 18 5.943 -6.071 -3.050 1.00 0.00 O ATOM 273 CB ILE A 18 6.501 -5.397 0.057 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.424 -5.567 1.273 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.125 -4.946 0.557 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.861 -5.187 0.913 1.00 0.00 C ATOM 0 H ILE A 18 8.105 -6.672 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 18 5.886 -7.435 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 18 6.944 -4.653 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.072 -4.943 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.391 -6.600 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.231 -4.030 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.471 -4.762 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.693 -5.725 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.501 -5.314 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.216 -5.829 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.892 -4.147 0.588 1.00 0.00 H new ATOM 288 N THR A 19 4.166 -6.702 -1.811 1.00 0.00 N ATOM 289 CA THR A 19 3.175 -6.514 -2.857 1.00 0.00 C ATOM 290 C THR A 19 1.915 -5.913 -2.242 1.00 0.00 C ATOM 291 O THR A 19 1.674 -6.059 -1.044 1.00 0.00 O ATOM 292 CB THR A 19 2.870 -7.862 -3.524 1.00 0.00 C ATOM 293 OG1 THR A 19 4.069 -8.457 -3.980 1.00 0.00 O ATOM 294 CG2 THR A 19 1.937 -7.697 -4.723 1.00 0.00 C ATOM 0 H THR A 19 3.773 -7.037 -0.931 1.00 0.00 H new ATOM 0 HA THR A 19 3.555 -5.834 -3.620 1.00 0.00 H new ATOM 0 HB THR A 19 2.385 -8.490 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.867 -9.318 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.743 -8.672 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.996 -7.255 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.405 -7.046 -5.461 1.00 0.00 H new ATOM 302 N ILE A 20 1.115 -5.237 -3.069 1.00 0.00 N ATOM 303 CA ILE A 20 -0.109 -4.565 -2.652 1.00 0.00 C ATOM 304 C ILE A 20 -1.187 -4.850 -3.691 1.00 0.00 C ATOM 305 O ILE A 20 -0.898 -4.946 -4.885 1.00 0.00 O ATOM 306 CB ILE A 20 0.150 -3.053 -2.561 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.257 -2.706 -1.557 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.133 -2.303 -2.187 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.863 -2.982 -0.105 1.00 0.00 C ATOM 0 H ILE A 20 1.307 -5.142 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.433 -4.926 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 20 0.485 -2.737 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.151 -3.280 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.517 -1.653 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.926 -1.234 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.894 -2.484 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.493 -2.656 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.690 -2.715 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.013 -2.387 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.631 -4.040 0.014 1.00 0.00 H new ATOM 321 N THR A 21 -2.434 -4.984 -3.245 1.00 0.00 N ATOM 322 CA THR A 21 -3.555 -5.267 -4.127 1.00 0.00 C ATOM 323 C THR A 21 -4.784 -4.514 -3.644 1.00 0.00 C ATOM 324 O THR A 21 -4.973 -4.330 -2.443 1.00 0.00 O ATOM 325 CB THR A 21 -3.825 -6.779 -4.142 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.648 -7.480 -4.485 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.911 -7.150 -5.148 1.00 0.00 C ATOM 0 H THR A 21 -2.692 -4.899 -2.262 1.00 0.00 H new ATOM 0 HA THR A 21 -3.319 -4.941 -5.140 1.00 0.00 H new ATOM 0 HB THR A 21 -4.159 -7.054 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.453 -7.346 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.072 -8.228 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.838 -6.639 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.599 -6.848 -6.148 1.00 0.00 H new ATOM 335 N ILE A 22 -5.622 -4.080 -4.585 1.00 0.00 N ATOM 336 CA ILE A 22 -6.859 -3.373 -4.292 1.00 0.00 C ATOM 337 C ILE A 22 -8.029 -4.328 -4.526 1.00 0.00 C ATOM 338 O ILE A 22 -8.475 -4.515 -5.655 1.00 0.00 O ATOM 339 CB ILE A 22 -6.914 -2.076 -5.119 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.295 -1.414 -5.136 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.485 -2.295 -6.570 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.824 -1.186 -3.727 1.00 0.00 C ATOM 0 H ILE A 22 -5.455 -4.213 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.916 -3.059 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.213 -1.413 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.236 -0.461 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.993 -2.041 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.541 -1.351 -7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.461 -2.668 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.147 -3.023 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.806 -0.715 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.907 -2.142 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.138 -0.537 -3.181 1.00 0.00 H new ATOM 354 N LEU A 23 -8.533 -4.940 -3.447 1.00 0.00 N ATOM 355 CA LEU A 23 -9.557 -5.970 -3.548 1.00 0.00 C ATOM 356 C LEU A 23 -10.886 -5.404 -4.058 1.00 0.00 C ATOM 357 O LEU A 23 -11.638 -6.123 -4.710 1.00 0.00 O ATOM 358 CB LEU A 23 -9.786 -6.652 -2.193 1.00 0.00 C ATOM 359 CG LEU A 23 -8.526 -7.170 -1.491 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.941 -8.176 -0.418 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.556 -7.877 -2.430 1.00 0.00 C ATOM 0 H LEU A 23 -8.242 -4.733 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.193 -6.704 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.285 -5.945 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.469 -7.489 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.018 -6.299 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.053 -8.553 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.593 -7.688 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.473 -9.006 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.687 -8.218 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.051 -8.734 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.235 -7.186 -3.209 1.00 0.00 H new ATOM 373 N GLY A 24 -11.180 -4.132 -3.774 1.00 0.00 N ATOM 374 CA GLY A 24 -12.391 -3.488 -4.265 1.00 0.00 C ATOM 375 C GLY A 24 -12.772 -2.258 -3.446 1.00 0.00 C ATOM 376 O GLY A 24 -12.017 -1.844 -2.568 1.00 0.00 O ATOM 0 H GLY A 24 -10.589 -3.529 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.248 -3.197 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.213 -4.203 -4.244 1.00 0.00 H new ATOM 380 N VAL A 25 -13.942 -1.674 -3.729 1.00 0.00 N ATOM 381 CA VAL A 25 -14.427 -0.504 -3.003 1.00 0.00 C ATOM 382 C VAL A 25 -15.901 -0.653 -2.632 1.00 0.00 C ATOM 383 O VAL A 25 -16.614 -1.494 -3.177 1.00 0.00 O ATOM 384 CB VAL A 25 -14.228 0.785 -3.815 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.812 0.887 -4.366 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.228 0.874 -4.971 1.00 0.00 C ATOM 0 H VAL A 25 -14.572 -1.999 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.839 -0.434 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.399 1.616 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.709 1.811 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.100 0.887 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.613 0.036 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.061 1.797 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.092 0.021 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.243 0.867 -4.575 1.00 0.00 H new ATOM 396 N SER A 26 -16.350 0.182 -1.691 1.00 0.00 N ATOM 397 CA SER A 26 -17.739 0.254 -1.266 1.00 0.00 C ATOM 398 C SER A 26 -18.017 1.665 -0.754 1.00 0.00 C ATOM 399 O SER A 26 -17.855 1.938 0.435 1.00 0.00 O ATOM 400 CB SER A 26 -17.993 -0.796 -0.183 1.00 0.00 C ATOM 401 OG SER A 26 -19.343 -0.747 0.227 1.00 0.00 O ATOM 0 H SER A 26 -15.742 0.836 -1.198 1.00 0.00 H new ATOM 0 HA SER A 26 -18.411 0.045 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.756 -1.789 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.338 -0.617 0.670 1.00 0.00 H new ATOM 0 HG SER A 26 -19.499 -1.423 0.919 1.00 0.00 H new ATOM 407 N GLY A 27 -18.441 2.571 -1.641 1.00 0.00 N ATOM 408 CA GLY A 27 -18.701 3.953 -1.264 1.00 0.00 C ATOM 409 C GLY A 27 -17.389 4.707 -1.089 1.00 0.00 C ATOM 410 O GLY A 27 -16.761 5.085 -2.078 1.00 0.00 O ATOM 0 H GLY A 27 -18.610 2.366 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.308 4.438 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.273 3.983 -0.336 1.00 0.00 H new ATOM 414 N GLN A 28 -16.970 4.924 0.161 1.00 0.00 N ATOM 415 CA GLN A 28 -15.678 5.546 0.439 1.00 0.00 C ATOM 416 C GLN A 28 -14.713 4.499 0.955 1.00 0.00 C ATOM 417 O GLN A 28 -13.504 4.720 0.949 1.00 0.00 O ATOM 418 CB GLN A 28 -15.779 6.631 1.512 1.00 0.00 C ATOM 419 CG GLN A 28 -16.720 7.771 1.153 1.00 0.00 C ATOM 420 CD GLN A 28 -16.529 8.245 -0.286 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.472 8.254 -1.070 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.310 8.640 -0.646 1.00 0.00 N ATOM 0 H GLN A 28 -17.507 4.678 0.993 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.335 5.993 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.115 6.176 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.785 7.039 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.751 7.447 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.553 8.606 1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.547 8.620 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.139 8.962 -1.598 1.00 0.00 H new ATOM 431 N GLN A 29 -15.238 3.357 1.405 1.00 0.00 N ATOM 432 CA GLN A 29 -14.390 2.291 1.890 1.00 0.00 C ATOM 433 C GLN A 29 -13.687 1.668 0.693 1.00 0.00 C ATOM 434 O GLN A 29 -14.242 1.585 -0.402 1.00 0.00 O ATOM 435 CB GLN A 29 -15.200 1.254 2.670 1.00 0.00 C ATOM 436 CG GLN A 29 -15.704 1.793 4.002 1.00 0.00 C ATOM 437 CD GLN A 29 -16.736 2.888 3.828 1.00 0.00 C ATOM 438 OE1 GLN A 29 -17.814 2.674 3.281 1.00 0.00 O ATOM 439 NE2 GLN A 29 -16.403 4.081 4.296 1.00 0.00 N ATOM 0 H GLN A 29 -16.238 3.157 1.440 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.649 2.688 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.049 0.932 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.583 0.373 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.138 0.977 4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.862 2.179 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.497 4.218 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.052 4.863 4.208 1.00 0.00 H new ATOM 448 N VAL A 30 -12.455 1.230 0.923 1.00 0.00 N ATOM 449 CA VAL A 30 -11.589 0.663 -0.090 1.00 0.00 C ATOM 450 C VAL A 30 -10.933 -0.541 0.556 1.00 0.00 C ATOM 451 O VAL A 30 -10.116 -0.389 1.463 1.00 0.00 O ATOM 452 CB VAL A 30 -10.557 1.719 -0.510 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.579 1.158 -1.534 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.240 2.930 -1.142 1.00 0.00 C ATOM 0 H VAL A 30 -12.024 1.263 1.847 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.125 0.362 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.025 2.012 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.861 1.929 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.050 0.307 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.125 0.835 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.487 3.663 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.796 2.614 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.925 3.378 -0.422 1.00 0.00 H new ATOM 464 N ARG A 31 -11.289 -1.743 0.100 1.00 0.00 N ATOM 465 CA ARG A 31 -10.738 -2.956 0.667 1.00 0.00 C ATOM 466 C ARG A 31 -9.406 -3.234 -0.005 1.00 0.00 C ATOM 467 O ARG A 31 -9.332 -3.337 -1.227 1.00 0.00 O ATOM 468 CB ARG A 31 -11.724 -4.109 0.491 1.00 0.00 C ATOM 469 CG ARG A 31 -11.332 -5.232 1.448 1.00 0.00 C ATOM 470 CD ARG A 31 -12.385 -6.334 1.448 1.00 0.00 C ATOM 471 NE ARG A 31 -12.256 -7.155 2.656 1.00 0.00 N ATOM 472 CZ ARG A 31 -12.042 -8.473 2.676 1.00 0.00 C ATOM 473 NH1 ARG A 31 -11.914 -9.179 1.556 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.950 -9.108 3.839 1.00 0.00 N ATOM 0 H ARG A 31 -11.955 -1.893 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.571 -2.843 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.740 -3.773 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.709 -4.466 -0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.367 -5.645 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.216 -4.833 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.382 -5.895 1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.270 -6.957 0.561 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.336 -6.680 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.979 -8.715 0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.751 -10.185 1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.043 -8.589 4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.787 -10.115 3.859 1.00 0.00 H new ATOM 488 N ILE A 32 -8.355 -3.353 0.806 1.00 0.00 N ATOM 489 CA ILE A 32 -6.986 -3.451 0.304 1.00 0.00 C ATOM 490 C ILE A 32 -6.301 -4.675 0.889 1.00 0.00 C ATOM 491 O ILE A 32 -6.676 -5.149 1.958 1.00 0.00 O ATOM 492 CB ILE A 32 -6.203 -2.175 0.656 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.083 -0.932 0.480 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.942 -2.069 -0.215 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.313 0.375 0.650 1.00 0.00 C ATOM 0 H ILE A 32 -8.428 -3.384 1.823 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.012 -3.555 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.902 -2.233 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.537 -0.953 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.897 -0.964 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.396 -1.162 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.306 -2.937 -0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.228 -2.033 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.991 1.217 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.881 0.415 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.516 0.427 -0.092 1.00 0.00 H new ATOM 507 N GLY A 33 -5.291 -5.192 0.186 1.00 0.00 N ATOM 508 CA GLY A 33 -4.520 -6.334 0.633 1.00 0.00 C ATOM 509 C GLY A 33 -3.032 -6.018 0.558 1.00 0.00 C ATOM 510 O GLY A 33 -2.605 -5.169 -0.222 1.00 0.00 O ATOM 0 H GLY A 33 -4.990 -4.821 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.795 -6.591 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.748 -7.202 0.014 1.00 0.00 H new ATOM 514 N ILE A 34 -2.245 -6.713 1.384 1.00 0.00 N ATOM 515 CA ILE A 34 -0.813 -6.491 1.522 1.00 0.00 C ATOM 516 C ILE A 34 -0.134 -7.839 1.675 1.00 0.00 C ATOM 517 O ILE A 34 -0.681 -8.747 2.293 1.00 0.00 O ATOM 518 CB ILE A 34 -0.541 -5.629 2.767 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.367 -4.335 2.742 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.954 -5.314 2.867 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.290 -3.609 4.083 1.00 0.00 C ATOM 0 H ILE A 34 -2.597 -7.459 1.984 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.426 -5.973 0.644 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.844 -6.195 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.002 -3.682 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.406 -4.567 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.139 -4.703 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.517 -6.244 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.272 -4.770 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.884 -2.696 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.679 -4.256 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.252 -3.356 4.301 1.00 0.00 H new ATOM 533 N ASN A 35 1.064 -7.974 1.115 1.00 0.00 N ATOM 534 CA ASN A 35 1.782 -9.227 1.159 1.00 0.00 C ATOM 535 C ASN A 35 3.264 -8.961 1.388 1.00 0.00 C ATOM 536 O ASN A 35 3.951 -8.463 0.500 1.00 0.00 O ATOM 537 CB ASN A 35 1.510 -9.962 -0.152 1.00 0.00 C ATOM 538 CG ASN A 35 1.977 -11.413 -0.116 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.955 -11.753 0.543 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.268 -12.278 -0.833 1.00 0.00 N ATOM 0 H ASN A 35 1.553 -7.224 0.626 1.00 0.00 H new ATOM 0 HA ASN A 35 1.448 -9.855 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.442 -9.933 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.013 -9.442 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.531 -13.264 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.461 -11.957 -1.368 1.00 0.00 H new ATOM 547 N ALA A 36 3.741 -9.299 2.588 1.00 0.00 N ATOM 548 CA ALA A 36 5.133 -9.140 2.970 1.00 0.00 C ATOM 549 C ALA A 36 5.517 -10.229 3.964 1.00 0.00 C ATOM 550 O ALA A 36 4.649 -10.785 4.640 1.00 0.00 O ATOM 551 CB ALA A 36 5.324 -7.775 3.637 1.00 0.00 C ATOM 0 H ALA A 36 3.159 -9.695 3.326 1.00 0.00 H new ATOM 0 HA ALA A 36 5.760 -9.212 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.368 -7.654 3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.046 -6.986 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.694 -7.712 4.524 1.00 0.00 H new ATOM 557 N PRO A 37 6.813 -10.542 4.063 1.00 0.00 N ATOM 558 CA PRO A 37 7.321 -11.497 5.023 1.00 0.00 C ATOM 559 C PRO A 37 7.088 -11.018 6.450 1.00 0.00 C ATOM 560 O PRO A 37 6.908 -9.824 6.691 1.00 0.00 O ATOM 561 CB PRO A 37 8.817 -11.608 4.725 1.00 0.00 C ATOM 562 CG PRO A 37 9.164 -10.312 3.999 1.00 0.00 C ATOM 563 CD PRO A 37 7.881 -9.989 3.252 1.00 0.00 C ATOM 0 HA PRO A 37 6.816 -12.459 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.397 -11.716 5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.034 -12.479 4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.437 -9.519 4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.006 -10.443 3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.761 -8.913 3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.885 -10.429 2.255 1.00 0.00 H new ATOM 571 N LYS A 38 7.092 -11.946 7.412 1.00 0.00 N ATOM 572 CA LYS A 38 7.015 -11.597 8.826 1.00 0.00 C ATOM 573 C LYS A 38 8.320 -10.937 9.267 1.00 0.00 C ATOM 574 O LYS A 38 8.472 -10.548 10.421 1.00 0.00 O ATOM 575 CB LYS A 38 6.694 -12.848 9.649 1.00 0.00 C ATOM 576 CG LYS A 38 5.309 -13.378 9.264 1.00 0.00 C ATOM 577 CD LYS A 38 4.198 -12.465 9.778 1.00 0.00 C ATOM 578 CE LYS A 38 3.851 -12.827 11.221 1.00 0.00 C ATOM 579 NZ LYS A 38 2.756 -11.983 11.732 1.00 0.00 N ATOM 0 H LYS A 38 7.148 -12.948 7.231 1.00 0.00 H new ATOM 0 HA LYS A 38 6.212 -10.879 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.449 -13.614 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.721 -12.612 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.239 -13.463 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.176 -14.380 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.516 -11.424 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.314 -12.563 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.561 -13.876 11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.732 -12.706 11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.541 -12.250 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.044 -10.984 11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.910 -12.118 11.143 1.00 0.00 H new ATOM 593 N ASP A 39 9.254 -10.824 8.322 1.00 0.00 N ATOM 594 CA ASP A 39 10.517 -10.127 8.468 1.00 0.00 C ATOM 595 C ASP A 39 10.295 -8.621 8.620 1.00 0.00 C ATOM 596 O ASP A 39 11.218 -7.887 8.966 1.00 0.00 O ATOM 597 CB ASP A 39 11.350 -10.398 7.216 1.00 0.00 C ATOM 598 CG ASP A 39 12.824 -10.068 7.441 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.417 -10.674 8.363 1.00 0.00 O ATOM 600 OD2 ASP A 39 13.348 -9.218 6.687 1.00 0.00 O ATOM 0 H ASP A 39 9.139 -11.236 7.396 1.00 0.00 H new ATOM 0 HA ASP A 39 11.030 -10.482 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.250 -11.445 6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.966 -9.804 6.387 1.00 0.00 H new ATOM 605 N VAL A 40 9.065 -8.163 8.359 1.00 0.00 N ATOM 606 CA VAL A 40 8.697 -6.754 8.426 1.00 0.00 C ATOM 607 C VAL A 40 7.324 -6.607 9.079 1.00 0.00 C ATOM 608 O VAL A 40 6.608 -7.592 9.261 1.00 0.00 O ATOM 609 CB VAL A 40 8.689 -6.135 7.020 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.024 -6.374 6.313 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.580 -6.710 6.147 1.00 0.00 C ATOM 0 H VAL A 40 8.292 -8.772 8.093 1.00 0.00 H new ATOM 0 HA VAL A 40 9.434 -6.225 9.030 1.00 0.00 H new ATOM 0 HB VAL A 40 8.518 -5.067 7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.995 -5.927 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.829 -5.920 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.202 -7.446 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.613 -6.243 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.720 -7.786 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.613 -6.513 6.610 1.00 0.00 H new ATOM 621 N ALA A 41 6.949 -5.374 9.430 1.00 0.00 N ATOM 622 CA ALA A 41 5.691 -5.117 10.104 1.00 0.00 C ATOM 623 C ALA A 41 4.712 -4.414 9.174 1.00 0.00 C ATOM 624 O ALA A 41 5.115 -3.752 8.219 1.00 0.00 O ATOM 625 CB ALA A 41 5.962 -4.260 11.344 1.00 0.00 C ATOM 0 H ALA A 41 7.508 -4.539 9.254 1.00 0.00 H new ATOM 0 HA ALA A 41 5.241 -6.064 10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.023 -4.060 11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.638 -4.792 12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.418 -3.317 11.042 1.00 0.00 H new ATOM 631 N VAL A 42 3.416 -4.561 9.454 1.00 0.00 N ATOM 632 CA VAL A 42 2.364 -3.888 8.697 1.00 0.00 C ATOM 633 C VAL A 42 1.112 -3.759 9.560 1.00 0.00 C ATOM 634 O VAL A 42 0.643 -4.738 10.137 1.00 0.00 O ATOM 635 CB VAL A 42 2.082 -4.648 7.390 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.141 -6.163 7.581 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.712 -4.280 6.814 1.00 0.00 C ATOM 0 H VAL A 42 3.068 -5.149 10.211 1.00 0.00 H new ATOM 0 HA VAL A 42 2.691 -2.884 8.427 1.00 0.00 H new ATOM 0 HB VAL A 42 2.865 -4.349 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.936 -6.658 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.133 -6.447 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.396 -6.466 8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.545 -4.835 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.066 -4.532 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.680 -3.211 6.606 1.00 0.00 H new ATOM 647 N HIS A 43 0.575 -2.540 9.638 1.00 0.00 N ATOM 648 CA HIS A 43 -0.638 -2.232 10.385 1.00 0.00 C ATOM 649 C HIS A 43 -1.259 -0.963 9.810 1.00 0.00 C ATOM 650 O HIS A 43 -0.666 -0.338 8.933 1.00 0.00 O ATOM 651 CB HIS A 43 -0.315 -1.977 11.864 1.00 0.00 C ATOM 652 CG HIS A 43 0.736 -2.874 12.459 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.494 -4.066 13.146 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.082 -2.647 12.416 1.00 0.00 C ATOM 655 CE1 HIS A 43 1.708 -4.526 13.498 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.678 -3.693 13.077 1.00 0.00 N ATOM 0 H HIS A 43 0.981 -1.727 9.174 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.321 -3.078 10.306 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.010 -0.942 11.974 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.232 -2.087 12.443 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.411 -4.496 13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.581 -1.808 11.953 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.881 -5.441 14.045 1.00 0.00 H new ATOM 664 N ARG A 44 -2.444 -0.564 10.288 1.00 0.00 N ATOM 665 CA ARG A 44 -3.011 0.708 9.881 1.00 0.00 C ATOM 666 C ARG A 44 -2.372 1.810 10.719 1.00 0.00 C ATOM 667 O ARG A 44 -1.700 1.522 11.710 1.00 0.00 O ATOM 668 CB ARG A 44 -4.538 0.694 10.005 1.00 0.00 C ATOM 669 CG ARG A 44 -4.997 0.491 11.445 1.00 0.00 C ATOM 670 CD ARG A 44 -6.526 0.537 11.487 1.00 0.00 C ATOM 671 NE ARG A 44 -7.028 0.393 12.856 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.037 -0.752 13.541 1.00 0.00 C ATOM 673 NH1 ARG A 44 -6.544 -1.869 13.018 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.544 -0.769 14.770 1.00 0.00 N ATOM 0 H ARG A 44 -3.013 -1.099 10.944 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.795 0.896 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.940 1.634 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.944 -0.101 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.638 -0.466 11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.578 1.266 12.087 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.875 1.481 11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.933 -0.259 10.863 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.396 1.225 13.317 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.150 -1.861 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.560 -2.735 13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.920 0.087 15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.557 -1.638 15.304 1.00 0.00 H new ATOM 688 N GLU A 45 -2.577 3.070 10.335 1.00 0.00 N ATOM 689 CA GLU A 45 -1.919 4.192 10.987 1.00 0.00 C ATOM 690 C GLU A 45 -2.266 4.269 12.478 1.00 0.00 C ATOM 691 O GLU A 45 -1.515 4.848 13.260 1.00 0.00 O ATOM 692 CB GLU A 45 -2.293 5.462 10.220 1.00 0.00 C ATOM 693 CG GLU A 45 -1.324 6.626 10.438 1.00 0.00 C ATOM 694 CD GLU A 45 -1.505 7.328 11.778 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.672 7.605 12.138 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.468 7.581 12.431 1.00 0.00 O ATOM 0 H GLU A 45 -3.198 3.336 9.571 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.837 4.064 10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.336 5.232 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.294 5.774 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.302 6.255 10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.456 7.352 9.636 1.00 0.00 H new ATOM 703 N GLU A 46 -3.401 3.690 12.882 1.00 0.00 N ATOM 704 CA GLU A 46 -3.835 3.713 14.276 1.00 0.00 C ATOM 705 C GLU A 46 -2.950 2.839 15.157 1.00 0.00 C ATOM 706 O GLU A 46 -2.635 3.217 16.286 1.00 0.00 O ATOM 707 CB GLU A 46 -5.274 3.197 14.345 1.00 0.00 C ATOM 708 CG GLU A 46 -5.843 3.349 15.758 1.00 0.00 C ATOM 709 CD GLU A 46 -7.326 2.984 15.806 1.00 0.00 C ATOM 710 OE1 GLU A 46 -7.695 1.971 15.171 1.00 0.00 O ATOM 711 OE2 GLU A 46 -8.080 3.724 16.480 1.00 0.00 O ATOM 0 H GLU A 46 -4.038 3.197 12.256 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.766 4.737 14.643 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.896 3.746 13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.303 2.149 14.048 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.288 2.711 16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.709 4.376 16.097 1.00 0.00 H new ATOM 718 N ILE A 47 -2.545 1.669 14.659 1.00 0.00 N ATOM 719 CA ILE A 47 -1.801 0.715 15.464 1.00 0.00 C ATOM 720 C ILE A 47 -0.317 1.040 15.396 1.00 0.00 C ATOM 721 O ILE A 47 0.433 0.719 16.317 1.00 0.00 O ATOM 722 CB ILE A 47 -2.055 -0.704 14.940 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.549 -0.999 14.752 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.443 -1.737 15.890 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.391 -0.639 15.974 1.00 0.00 C ATOM 0 H ILE A 47 -2.723 1.365 13.702 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.130 0.776 16.501 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.579 -0.772 13.962 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.917 -0.444 13.889 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.678 -2.058 14.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.630 -2.740 15.507 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.368 -1.572 15.964 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.894 -1.636 16.877 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.437 -0.872 15.776 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.048 -1.213 16.834 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.290 0.426 16.185 1.00 0.00 H new ATOM 737 N TYR A 48 0.111 1.680 14.305 1.00 0.00 N ATOM 738 CA TYR A 48 1.503 2.024 14.094 1.00 0.00 C ATOM 739 C TYR A 48 2.030 2.909 15.229 1.00 0.00 C ATOM 740 O TYR A 48 3.212 2.862 15.563 1.00 0.00 O ATOM 741 CB TYR A 48 1.639 2.742 12.763 1.00 0.00 C ATOM 742 CG TYR A 48 3.069 3.058 12.401 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.867 2.071 11.803 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.598 4.327 12.663 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.189 2.356 11.438 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.911 4.629 12.281 1.00 0.00 C ATOM 747 CZ TYR A 48 5.713 3.646 11.666 1.00 0.00 C ATOM 748 OH TYR A 48 6.991 3.941 11.297 1.00 0.00 O ATOM 0 H TYR A 48 -0.506 1.971 13.547 1.00 0.00 H new ATOM 0 HA TYR A 48 2.096 1.109 14.083 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.200 2.125 11.979 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.066 3.669 12.797 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.460 1.087 11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.994 5.072 13.159 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.804 1.593 10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.310 5.617 12.458 1.00 0.00 H new ATOM 0 HH TYR A 48 7.191 4.873 11.526 1.00 0.00 H new ATOM 1211 N MET C 1 0.412 -12.386 4.580 1.00 0.00 N ATOM 1212 CA MET C 1 -0.701 -11.743 3.856 1.00 0.00 C ATOM 1213 C MET C 1 -1.611 -11.009 4.829 1.00 0.00 C ATOM 1214 O MET C 1 -1.904 -11.535 5.897 1.00 0.00 O ATOM 1215 CB MET C 1 -1.505 -12.791 3.073 1.00 0.00 C ATOM 1216 CG MET C 1 -2.612 -12.142 2.243 1.00 0.00 C ATOM 1217 SD MET C 1 -2.005 -11.085 0.914 1.00 0.00 S ATOM 1218 CE MET C 1 -3.570 -10.294 0.489 1.00 0.00 C ATOM 0 H1 MET C 1 0.530 -13.362 4.239 1.00 0.00 H new ATOM 0 H2 MET C 1 1.289 -11.852 4.413 1.00 0.00 H new ATOM 0 H3 MET C 1 0.203 -12.398 5.599 1.00 0.00 H new ATOM 0 HA MET C 1 -0.284 -11.022 3.152 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.836 -13.349 2.417 1.00 0.00 H new ATOM 0 HB3 MET C 1 -1.942 -13.509 3.767 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.238 -12.925 1.814 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.248 -11.551 2.902 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.399 -9.539 -0.278 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.266 -11.043 0.112 1.00 0.00 H new ATOM 0 HE3 MET C 1 -3.991 -9.821 1.376 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.064 -9.801 4.483 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.005 -9.060 5.301 1.00 0.00 C ATOM 1232 C LEU C 2 -4.038 -8.377 4.414 1.00 0.00 C ATOM 1233 O LEU C 2 -3.765 -8.090 3.252 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.256 -8.007 6.124 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.106 -8.385 7.598 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.355 -7.262 8.312 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.458 -8.562 8.290 1.00 0.00 C ATOM 0 H LEU C 2 -1.785 -9.318 3.629 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.513 -9.751 5.974 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.267 -7.855 5.693 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.784 -7.056 6.052 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.569 -9.332 7.646 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.239 -7.515 9.366 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.372 -7.136 7.858 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.918 -6.333 8.222 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.300 -8.830 9.335 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -4.019 -7.629 8.236 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.020 -9.353 7.794 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.221 -8.119 4.968 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.296 -7.429 4.276 1.00 0.00 C ATOM 1251 C ILE C 3 -6.903 -6.427 5.252 1.00 0.00 C ATOM 1252 O ILE C 3 -6.970 -6.686 6.452 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.347 -8.424 3.754 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.781 -9.334 2.654 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.523 -7.686 3.117 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.106 -10.593 3.191 1.00 0.00 C ATOM 0 H ILE C 3 -5.458 -8.389 5.923 1.00 0.00 H new ATOM 0 HA ILE C 3 -5.912 -6.906 3.401 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.654 -9.010 4.620 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.589 -9.623 1.982 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.060 -8.770 2.062 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.254 -8.409 2.755 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -8.991 -7.038 3.858 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.165 -7.083 2.282 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.730 -11.188 2.358 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.277 -10.312 3.840 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.829 -11.179 3.759 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.349 -5.284 4.732 1.00 0.00 N ATOM 1269 CA LEU C 4 -7.888 -4.186 5.519 1.00 0.00 C ATOM 1270 C LEU C 4 -8.987 -3.481 4.736 1.00 0.00 C ATOM 1271 O LEU C 4 -9.145 -3.720 3.538 1.00 0.00 O ATOM 1272 CB LEU C 4 -6.779 -3.156 5.783 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.633 -3.643 6.666 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -4.608 -2.514 6.724 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -6.106 -3.946 8.085 1.00 0.00 C ATOM 0 H LEU C 4 -7.344 -5.096 3.730 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.280 -4.587 6.454 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -6.368 -2.836 4.826 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.226 -2.277 6.248 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.218 -4.561 6.250 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -3.767 -2.818 7.347 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -4.253 -2.293 5.717 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -5.071 -1.624 7.149 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -5.263 -4.290 8.684 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -6.523 -3.043 8.530 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -6.871 -4.722 8.056 1.00 0.00 H new ATOM 1287 N THR C 5 -9.738 -2.611 5.416 1.00 0.00 N ATOM 1288 CA THR C 5 -10.693 -1.749 4.740 1.00 0.00 C ATOM 1289 C THR C 5 -10.564 -0.329 5.280 1.00 0.00 C ATOM 1290 O THR C 5 -11.062 -0.005 6.356 1.00 0.00 O ATOM 1291 CB THR C 5 -12.126 -2.273 4.859 1.00 0.00 C ATOM 1292 OG1 THR C 5 -12.181 -3.654 4.574 1.00 0.00 O ATOM 1293 CG2 THR C 5 -12.974 -1.528 3.838 1.00 0.00 C ATOM 0 H THR C 5 -9.699 -2.490 6.428 1.00 0.00 H new ATOM 0 HA THR C 5 -10.462 -1.744 3.675 1.00 0.00 H new ATOM 0 HB THR C 5 -12.489 -2.116 5.875 1.00 0.00 H new ATOM 0 HG1 THR C 5 -13.105 -3.969 4.657 1.00 0.00 H new ATOM 0 HG21 THR C 5 -14.005 -1.878 3.896 1.00 0.00 H new ATOM 0 HG22 THR C 5 -12.942 -0.459 4.049 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.584 -1.712 2.837 1.00 0.00 H new ATOM 1301 N ARG C 6 -9.877 0.506 4.499 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.606 1.902 4.807 1.00 0.00 C ATOM 1303 C ARG C 6 -10.531 2.773 3.959 1.00 0.00 C ATOM 1304 O ARG C 6 -11.082 2.280 2.982 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.135 2.132 4.435 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.483 3.380 5.025 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.208 3.233 6.524 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.419 3.450 7.320 1.00 0.00 N ATOM 1309 CZ ARG C 6 -8.858 2.679 8.316 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -8.207 1.577 8.680 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -9.970 3.022 8.957 1.00 0.00 N ATOM 0 H ARG C 6 -9.482 0.214 3.605 1.00 0.00 H new ATOM 0 HA ARG C 6 -9.779 2.150 5.854 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -7.560 1.262 4.752 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.060 2.186 3.349 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.547 3.581 4.503 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.131 4.240 4.859 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.813 2.237 6.726 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.441 3.947 6.825 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.981 4.270 7.090 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.352 1.306 8.194 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -8.563 1.004 9.445 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -10.476 3.865 8.685 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -10.318 2.442 9.721 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.723 4.054 4.301 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.478 4.962 3.445 1.00 0.00 C ATOM 1327 C LYS C 7 -10.678 6.221 3.152 1.00 0.00 C ATOM 1328 O LYS C 7 -9.649 6.474 3.776 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.862 5.314 4.005 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.800 5.950 5.394 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.182 6.508 5.736 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.152 7.328 7.026 1.00 0.00 C ATOM 1333 NZ LYS C 7 -13.685 6.527 8.175 1.00 0.00 N ATOM 0 H LYS C 7 -10.367 4.477 5.158 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.652 4.427 2.511 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.362 5.999 3.320 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.470 4.410 4.052 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.496 5.211 6.135 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -12.055 6.746 5.413 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.537 7.132 4.915 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -14.891 5.687 5.842 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -13.498 8.190 6.894 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -15.150 7.715 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -14.190 6.825 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -13.872 5.520 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.664 6.671 8.307 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.163 7.011 2.191 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.416 8.140 1.666 1.00 0.00 C ATOM 1349 C VAL C 8 -10.023 9.124 2.758 1.00 0.00 C ATOM 1350 O VAL C 8 -10.846 9.531 3.580 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.166 8.811 0.512 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.618 7.742 -0.489 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.402 9.598 0.929 1.00 0.00 C ATOM 0 H VAL C 8 -12.079 6.882 1.762 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.481 7.755 1.258 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.459 9.521 0.083 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.152 8.217 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.746 7.216 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.277 7.032 0.010 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.868 10.038 0.047 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.110 8.930 1.419 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.113 10.390 1.620 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.744 9.504 2.754 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.201 10.472 3.693 1.00 0.00 C ATOM 1365 C GLY C 9 -7.506 9.811 4.885 1.00 0.00 C ATOM 1366 O GLY C 9 -7.013 10.513 5.765 1.00 0.00 O ATOM 0 H GLY C 9 -8.056 9.143 2.093 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.491 11.116 3.175 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -9.006 11.112 4.056 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.461 8.475 4.923 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.830 7.738 6.010 1.00 0.00 C ATOM 1372 C GLU C 10 -5.551 7.059 5.508 1.00 0.00 C ATOM 1373 O GLU C 10 -5.201 7.195 4.334 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.836 6.743 6.590 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.073 7.470 7.128 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.133 6.502 7.646 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.237 5.388 7.085 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -10.838 6.877 8.609 1.00 0.00 O ATOM 0 H GLU C 10 -7.862 7.879 4.199 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.534 8.416 6.811 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.134 6.030 5.821 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.368 6.171 7.391 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.775 8.143 7.932 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.502 8.086 6.338 1.00 0.00 H new ATOM 1385 N SER C 11 -4.844 6.327 6.381 1.00 0.00 N ATOM 1386 CA SER C 11 -3.516 5.809 6.048 1.00 0.00 C ATOM 1387 C SER C 11 -3.241 4.426 6.638 1.00 0.00 C ATOM 1388 O SER C 11 -3.982 3.934 7.489 1.00 0.00 O ATOM 1389 CB SER C 11 -2.458 6.785 6.561 1.00 0.00 C ATOM 1390 OG SER C 11 -2.661 8.074 6.015 1.00 0.00 O ATOM 0 H SER C 11 -5.170 6.083 7.316 1.00 0.00 H new ATOM 0 HA SER C 11 -3.476 5.709 4.963 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.499 6.835 7.649 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.464 6.424 6.296 1.00 0.00 H new ATOM 0 HG SER C 11 -1.975 8.685 6.356 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.150 3.811 6.163 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.665 2.491 6.557 1.00 0.00 C ATOM 1398 C ILE C 12 -0.133 2.567 6.599 1.00 0.00 C ATOM 1399 O ILE C 12 0.442 3.513 6.061 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.162 1.431 5.548 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.689 1.538 5.375 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.799 0.006 5.985 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.231 0.574 4.317 1.00 0.00 C ATOM 0 H ILE C 12 -1.555 4.247 5.458 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.042 2.198 7.537 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.664 1.631 4.599 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.174 1.334 6.330 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.949 2.560 5.097 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.168 -0.706 5.247 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.716 -0.085 6.067 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -2.255 -0.205 6.952 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.312 0.692 4.237 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.769 0.793 3.354 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -3.998 -0.451 4.606 1.00 0.00 H new ATOM 1415 N ASN C 13 0.545 1.598 7.222 1.00 0.00 N ATOM 1416 CA ASN C 13 1.994 1.644 7.378 1.00 0.00 C ATOM 1417 C ASN C 13 2.635 0.277 7.174 1.00 0.00 C ATOM 1418 O ASN C 13 1.997 -0.759 7.374 1.00 0.00 O ATOM 1419 CB ASN C 13 2.332 2.167 8.778 1.00 0.00 C ATOM 1420 CG ASN C 13 2.018 3.648 8.919 1.00 0.00 C ATOM 1421 OD1 ASN C 13 0.905 4.026 9.271 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.003 4.495 8.643 1.00 0.00 N ATOM 0 H ASN C 13 0.107 0.770 7.627 1.00 0.00 H new ATOM 0 HA ASN C 13 2.394 2.311 6.614 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.769 1.604 9.522 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.389 1.998 8.983 1.00 0.00 H new ATOM 0 HD21 ASN C 13 2.848 5.500 8.721 1.00 0.00 H new ATOM 0 HD22 ASN C 13 3.914 4.140 8.353 1.00 0.00 H new ATOM 1429 N ILE C 14 3.911 0.286 6.770 1.00 0.00 N ATOM 1430 CA ILE C 14 4.702 -0.919 6.547 1.00 0.00 C ATOM 1431 C ILE C 14 6.131 -0.658 7.032 1.00 0.00 C ATOM 1432 O ILE C 14 6.630 0.466 6.948 1.00 0.00 O ATOM 1433 CB ILE C 14 4.693 -1.300 5.056 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.252 -1.429 4.543 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.446 -2.621 4.851 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.185 -1.817 3.064 1.00 0.00 C ATOM 0 H ILE C 14 4.426 1.147 6.587 1.00 0.00 H new ATOM 0 HA ILE C 14 4.273 -1.753 7.103 1.00 0.00 H new ATOM 0 HB ILE C 14 5.192 -0.513 4.491 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.725 -2.177 5.135 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.732 -0.482 4.690 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.436 -2.885 3.794 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.477 -2.508 5.187 1.00 0.00 H new ATOM 0 HG23 ILE C 14 4.961 -3.409 5.427 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.143 -1.894 2.755 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.686 -1.056 2.465 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.679 -2.777 2.917 1.00 0.00 H new ATOM 1448 N GLY C 15 6.797 -1.702 7.538 1.00 0.00 N ATOM 1449 CA GLY C 15 8.144 -1.586 8.064 1.00 0.00 C ATOM 1450 C GLY C 15 8.202 -0.497 9.132 1.00 0.00 C ATOM 1451 O GLY C 15 7.280 -0.347 9.930 1.00 0.00 O ATOM 0 H GLY C 15 6.411 -2.645 7.590 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.459 -2.539 8.489 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.838 -1.351 7.257 1.00 0.00 H new ATOM 1455 N ASP C 16 9.300 0.258 9.134 1.00 0.00 N ATOM 1456 CA ASP C 16 9.497 1.387 10.029 1.00 0.00 C ATOM 1457 C ASP C 16 9.943 2.620 9.238 1.00 0.00 C ATOM 1458 O ASP C 16 10.351 3.624 9.821 1.00 0.00 O ATOM 1459 CB ASP C 16 10.473 1.019 11.153 1.00 0.00 C ATOM 1460 CG ASP C 16 11.890 0.755 10.645 1.00 0.00 C ATOM 1461 OD1 ASP C 16 12.051 -0.187 9.837 1.00 0.00 O ATOM 1462 OD2 ASP C 16 12.801 1.498 11.071 1.00 0.00 O ATOM 0 H ASP C 16 10.086 0.097 8.504 1.00 0.00 H new ATOM 0 HA ASP C 16 8.550 1.639 10.506 1.00 0.00 H new ATOM 0 HB2 ASP C 16 10.499 1.827 11.884 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.106 0.132 11.670 1.00 0.00 H new ATOM 1467 N ASP C 17 9.867 2.536 7.902 1.00 0.00 N ATOM 1468 CA ASP C 17 10.247 3.616 7.003 1.00 0.00 C ATOM 1469 C ASP C 17 9.265 3.762 5.836 1.00 0.00 C ATOM 1470 O ASP C 17 9.554 4.502 4.901 1.00 0.00 O ATOM 1471 CB ASP C 17 11.660 3.377 6.453 1.00 0.00 C ATOM 1472 CG ASP C 17 12.725 3.404 7.544 1.00 0.00 C ATOM 1473 OD1 ASP C 17 12.950 4.496 8.116 1.00 0.00 O ATOM 1474 OD2 ASP C 17 13.310 2.327 7.799 1.00 0.00 O ATOM 0 H ASP C 17 9.535 1.702 7.417 1.00 0.00 H new ATOM 0 HA ASP C 17 10.226 4.540 7.581 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.690 2.413 5.945 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.889 4.138 5.707 1.00 0.00 H new ATOM 1479 N ILE C 18 8.109 3.077 5.866 1.00 0.00 N ATOM 1480 CA ILE C 18 7.155 3.168 4.766 1.00 0.00 C ATOM 1481 C ILE C 18 5.764 3.509 5.286 1.00 0.00 C ATOM 1482 O ILE C 18 5.365 3.084 6.370 1.00 0.00 O ATOM 1483 CB ILE C 18 7.127 1.864 3.945 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.519 1.463 3.434 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.204 2.031 2.737 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.208 0.520 4.418 1.00 0.00 C ATOM 0 H ILE C 18 7.822 2.465 6.630 1.00 0.00 H new ATOM 0 HA ILE C 18 7.480 3.972 4.106 1.00 0.00 H new ATOM 0 HB ILE C 18 6.765 1.080 4.611 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.429 0.978 2.462 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.129 2.355 3.290 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.188 1.106 2.160 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.195 2.263 3.079 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.570 2.844 2.109 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.192 0.250 4.035 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.318 1.017 5.382 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.607 -0.381 4.541 1.00 0.00 H new ATOM 1498 N THR C 19 5.022 4.287 4.493 1.00 0.00 N ATOM 1499 CA THR C 19 3.660 4.690 4.799 1.00 0.00 C ATOM 1500 C THR C 19 2.842 4.660 3.510 1.00 0.00 C ATOM 1501 O THR C 19 3.393 4.777 2.414 1.00 0.00 O ATOM 1502 CB THR C 19 3.668 6.095 5.409 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.507 6.123 6.543 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.275 6.541 5.845 1.00 0.00 C ATOM 0 H THR C 19 5.364 4.657 3.606 1.00 0.00 H new ATOM 0 HA THR C 19 3.212 4.008 5.521 1.00 0.00 H new ATOM 0 HB THR C 19 4.030 6.772 4.635 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.508 7.025 6.927 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.330 7.543 6.271 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.609 6.550 4.982 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.889 5.849 6.594 1.00 0.00 H new ATOM 1512 N ILE C 20 1.526 4.512 3.647 1.00 0.00 N ATOM 1513 CA ILE C 20 0.590 4.451 2.533 1.00 0.00 C ATOM 1514 C ILE C 20 -0.608 5.334 2.867 1.00 0.00 C ATOM 1515 O ILE C 20 -0.995 5.429 4.035 1.00 0.00 O ATOM 1516 CB ILE C 20 0.131 2.997 2.330 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.299 2.033 2.083 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.875 2.900 1.178 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.991 2.272 0.742 1.00 0.00 C ATOM 0 H ILE C 20 1.073 4.430 4.557 1.00 0.00 H new ATOM 0 HA ILE C 20 1.065 4.800 1.616 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.349 2.695 3.260 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.028 2.139 2.887 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.932 1.007 2.119 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.186 1.863 1.053 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.746 3.515 1.403 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.410 3.253 0.258 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.809 1.561 0.623 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.273 2.138 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.386 3.287 0.712 1.00 0.00 H new ATOM 1531 N THR C 21 -1.191 5.976 1.856 1.00 0.00 N ATOM 1532 CA THR C 21 -2.336 6.854 2.048 1.00 0.00 C ATOM 1533 C THR C 21 -3.333 6.660 0.912 1.00 0.00 C ATOM 1534 O THR C 21 -2.936 6.402 -0.225 1.00 0.00 O ATOM 1535 CB THR C 21 -1.858 8.313 2.086 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.800 8.457 3.007 1.00 0.00 O ATOM 1537 CG2 THR C 21 -2.988 9.251 2.506 1.00 0.00 C ATOM 0 H THR C 21 -0.882 5.901 0.887 1.00 0.00 H new ATOM 0 HA THR C 21 -2.826 6.611 2.991 1.00 0.00 H new ATOM 0 HB THR C 21 -1.524 8.573 1.082 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.503 9.391 3.021 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.621 10.277 2.524 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.810 9.172 1.794 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.341 8.974 3.500 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.625 6.778 1.214 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.687 6.641 0.232 1.00 0.00 C ATOM 1547 C ILE C 22 -6.240 8.036 -0.070 1.00 0.00 C ATOM 1548 O ILE C 22 -7.116 8.537 0.634 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.729 5.622 0.736 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.033 5.625 -0.071 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.091 5.829 2.206 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.782 5.527 -1.567 1.00 0.00 C ATOM 0 H ILE C 22 -4.962 6.973 2.157 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.328 6.236 -0.714 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.233 4.660 0.605 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.657 4.790 0.247 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.589 6.538 0.143 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.828 5.085 2.508 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.196 5.723 2.819 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.507 6.827 2.341 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.735 5.533 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.181 6.377 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.250 4.601 -1.787 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.718 8.669 -1.130 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.053 10.052 -1.446 1.00 0.00 C ATOM 1566 C LEU C 23 -7.526 10.216 -1.828 1.00 0.00 C ATOM 1567 O LEU C 23 -8.098 11.287 -1.612 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.175 10.580 -2.595 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.664 10.355 -2.442 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.940 11.263 -3.437 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.142 10.691 -1.049 1.00 0.00 C ATOM 0 H LEU C 23 -5.061 8.238 -1.781 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.865 10.631 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.501 10.108 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.355 11.650 -2.702 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.478 9.296 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.864 11.119 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.254 11.015 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.186 12.304 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.068 10.510 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.341 11.740 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.643 10.064 -0.312 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.152 9.180 -2.393 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.566 9.232 -2.757 1.00 0.00 C ATOM 1585 C GLY C 24 -9.948 8.180 -3.792 1.00 0.00 C ATOM 1586 O GLY C 24 -9.133 7.328 -4.141 1.00 0.00 O ATOM 0 H GLY C 24 -7.697 8.293 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.172 9.092 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.800 10.222 -3.148 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.188 8.239 -4.289 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.678 7.306 -5.301 1.00 0.00 C ATOM 1592 C VAL C 25 -12.486 8.030 -6.373 1.00 0.00 C ATOM 1593 O VAL C 25 -12.916 9.169 -6.180 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.539 6.201 -4.668 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.834 5.558 -3.476 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -13.896 6.744 -4.218 1.00 0.00 C ATOM 0 H VAL C 25 -11.876 8.934 -4.000 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.804 6.849 -5.766 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.695 5.444 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.471 4.781 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -10.893 5.117 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.634 6.316 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.481 5.938 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.746 7.532 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.429 7.149 -5.078 1.00 0.00 H new ATOM 1606 N SER C 26 -12.692 7.356 -7.504 1.00 0.00 N ATOM 1607 CA SER C 26 -13.513 7.841 -8.601 1.00 0.00 C ATOM 1608 C SER C 26 -14.093 6.649 -9.353 1.00 0.00 C ATOM 1609 O SER C 26 -13.486 6.145 -10.300 1.00 0.00 O ATOM 1610 CB SER C 26 -12.675 8.725 -9.526 1.00 0.00 C ATOM 1611 OG SER C 26 -13.496 9.263 -10.543 1.00 0.00 O ATOM 0 H SER C 26 -12.282 6.439 -7.682 1.00 0.00 H new ATOM 0 HA SER C 26 -14.335 8.445 -8.216 1.00 0.00 H new ATOM 0 HB2 SER C 26 -12.212 9.530 -8.955 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.867 8.142 -9.968 1.00 0.00 H new ATOM 0 HG SER C 26 -12.957 9.830 -11.133 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.271 6.182 -8.933 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.890 5.011 -9.536 1.00 0.00 C ATOM 1619 C GLY C 27 -15.172 3.750 -9.074 1.00 0.00 C ATOM 1620 O GLY C 27 -15.389 3.299 -7.951 1.00 0.00 O ATOM 0 H GLY C 27 -15.812 6.601 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.943 4.962 -9.259 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.849 5.086 -10.623 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.321 3.185 -9.935 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.512 2.032 -9.568 1.00 0.00 C ATOM 1626 C GLN C 28 -12.072 2.456 -9.365 1.00 0.00 C ATOM 1627 O GLN C 28 -11.300 1.728 -8.748 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.530 0.960 -10.656 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.926 0.461 -10.999 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.755 0.163 -9.751 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -16.820 0.742 -9.558 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.276 -0.740 -8.900 1.00 0.00 N ATOM 0 H GLN C 28 -14.178 3.512 -10.891 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.935 1.623 -8.651 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.065 1.361 -11.557 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.921 0.116 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.439 1.209 -11.604 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -14.849 -0.441 -11.606 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -14.387 -1.201 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -15.798 -0.971 -8.054 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.708 3.630 -9.883 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.372 4.150 -9.685 1.00 0.00 C ATOM 1643 C GLN C 29 -10.216 4.531 -8.224 1.00 0.00 C ATOM 1644 O GLN C 29 -11.164 4.961 -7.568 1.00 0.00 O ATOM 1645 CB GLN C 29 -10.129 5.348 -10.596 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.992 4.903 -12.051 1.00 0.00 C ATOM 1647 CD GLN C 29 -8.738 4.062 -12.276 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -7.756 4.181 -11.552 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -8.763 3.198 -13.285 1.00 0.00 N ATOM 0 H GLN C 29 -12.321 4.228 -10.437 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.632 3.392 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.954 6.055 -10.503 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.225 5.871 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -10.871 4.327 -12.338 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -9.961 5.780 -12.697 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -9.595 3.121 -13.870 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -7.950 2.611 -13.474 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.995 4.367 -7.726 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.631 4.621 -6.349 1.00 0.00 C ATOM 1660 C VAL C 30 -7.273 5.298 -6.385 1.00 0.00 C ATOM 1661 O VAL C 30 -6.277 4.680 -6.751 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.576 3.290 -5.592 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.164 3.499 -4.142 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.941 2.607 -5.599 1.00 0.00 C ATOM 0 H VAL C 30 -8.211 4.043 -8.293 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.353 5.257 -5.837 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.840 2.666 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.134 2.537 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.177 3.960 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -8.886 4.150 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.879 1.664 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.674 3.255 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.246 2.414 -6.628 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.228 6.579 -6.005 1.00 0.00 N ATOM 1675 CA ARG C 31 -5.984 7.330 -6.013 1.00 0.00 C ATOM 1676 C ARG C 31 -5.271 7.076 -4.694 1.00 0.00 C ATOM 1677 O ARG C 31 -5.860 7.253 -3.627 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.267 8.816 -6.245 1.00 0.00 C ATOM 1679 CG ARG C 31 -4.996 9.483 -6.764 1.00 0.00 C ATOM 1680 CD ARG C 31 -5.274 10.932 -7.158 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.199 11.451 -8.011 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.417 12.495 -7.730 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -3.563 13.195 -6.608 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -2.466 12.856 -8.585 1.00 0.00 N ATOM 0 H ARG C 31 -8.040 7.110 -5.690 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.337 7.005 -6.828 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.078 8.938 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.589 9.288 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -4.222 9.451 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -4.615 8.933 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -6.226 10.995 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -5.364 11.547 -6.263 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.035 10.972 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -4.287 12.938 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.951 13.989 -6.419 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.336 12.336 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -1.866 13.654 -8.374 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.008 6.667 -4.773 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.260 6.201 -3.616 1.00 0.00 C ATOM 1700 C ILE C 32 -1.906 6.893 -3.578 1.00 0.00 C ATOM 1701 O ILE C 32 -1.400 7.330 -4.608 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.075 4.676 -3.689 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.335 3.989 -4.233 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.714 4.122 -2.307 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.258 2.461 -4.181 1.00 0.00 C ATOM 0 H ILE C 32 -3.476 6.650 -5.643 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.811 6.441 -2.707 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.258 4.465 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.200 4.323 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.496 4.303 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.585 3.041 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.786 4.578 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.514 4.351 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.179 2.036 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.413 2.119 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.127 2.138 -3.148 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.323 6.994 -2.383 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.016 7.591 -2.192 1.00 0.00 C ATOM 1719 C GLY C 33 0.878 6.634 -1.412 1.00 0.00 C ATOM 1720 O GLY C 33 0.394 5.792 -0.657 1.00 0.00 O ATOM 0 H GLY C 33 -1.753 6.660 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.435 7.819 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.112 8.534 -1.654 1.00 0.00 H new ATOM 1724 N ILE C 34 2.188 6.774 -1.601 1.00 0.00 N ATOM 1725 CA ILE C 34 3.187 5.907 -0.998 1.00 0.00 C ATOM 1726 C ILE C 34 4.363 6.764 -0.574 1.00 0.00 C ATOM 1727 O ILE C 34 4.730 7.710 -1.272 1.00 0.00 O ATOM 1728 CB ILE C 34 3.641 4.861 -2.021 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.446 4.088 -2.590 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.646 3.897 -1.373 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.871 3.194 -3.751 1.00 0.00 C ATOM 0 H ILE C 34 2.588 7.506 -2.188 1.00 0.00 H new ATOM 0 HA ILE C 34 2.772 5.391 -0.132 1.00 0.00 H new ATOM 0 HB ILE C 34 4.127 5.378 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.995 3.480 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.683 4.789 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.964 3.156 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.513 4.457 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.175 3.393 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE C 34 2.003 2.658 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.299 3.807 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.616 2.477 -3.405 1.00 0.00 H new ATOM 1743 N ASN C 35 4.960 6.438 0.570 1.00 0.00 N ATOM 1744 CA ASN C 35 6.042 7.235 1.113 1.00 0.00 C ATOM 1745 C ASN C 35 7.116 6.324 1.691 1.00 0.00 C ATOM 1746 O ASN C 35 6.932 5.735 2.753 1.00 0.00 O ATOM 1747 CB ASN C 35 5.446 8.178 2.163 1.00 0.00 C ATOM 1748 CG ASN C 35 6.423 9.254 2.606 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.637 9.066 2.576 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.890 10.398 3.022 1.00 0.00 N ATOM 0 H ASN C 35 4.708 5.626 1.134 1.00 0.00 H new ATOM 0 HA ASN C 35 6.524 7.832 0.339 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.552 8.650 1.756 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.133 7.598 3.031 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.494 11.159 3.331 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.877 10.515 3.032 1.00 0.00 H new ATOM 1757 N ALA C 36 8.236 6.222 0.972 1.00 0.00 N ATOM 1758 CA ALA C 36 9.384 5.425 1.370 1.00 0.00 C ATOM 1759 C ALA C 36 10.660 6.083 0.856 1.00 0.00 C ATOM 1760 O ALA C 36 10.615 6.866 -0.097 1.00 0.00 O ATOM 1761 CB ALA C 36 9.258 4.026 0.765 1.00 0.00 C ATOM 0 H ALA C 36 8.367 6.702 0.082 1.00 0.00 H new ATOM 0 HA ALA C 36 9.422 5.355 2.457 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.117 3.423 1.060 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.343 3.555 1.125 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.224 4.101 -0.322 1.00 0.00 H new ATOM 1767 N PRO C 37 11.803 5.775 1.478 1.00 0.00 N ATOM 1768 CA PRO C 37 13.098 6.249 1.039 1.00 0.00 C ATOM 1769 C PRO C 37 13.447 5.681 -0.336 1.00 0.00 C ATOM 1770 O PRO C 37 12.901 4.664 -0.760 1.00 0.00 O ATOM 1771 CB PRO C 37 14.085 5.752 2.095 1.00 0.00 C ATOM 1772 CG PRO C 37 13.392 4.558 2.743 1.00 0.00 C ATOM 1773 CD PRO C 37 11.921 4.937 2.658 1.00 0.00 C ATOM 0 HA PRO C 37 13.120 7.334 0.939 1.00 0.00 H new ATOM 0 HB2 PRO C 37 15.034 5.462 1.644 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.304 6.528 2.828 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.602 3.630 2.211 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.714 4.414 3.774 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.292 4.051 2.574 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.601 5.472 3.552 1.00 0.00 H new ATOM 1781 N LYS C 38 14.367 6.340 -1.048 1.00 0.00 N ATOM 1782 CA LYS C 38 14.909 5.821 -2.299 1.00 0.00 C ATOM 1783 C LYS C 38 15.799 4.613 -2.032 1.00 0.00 C ATOM 1784 O LYS C 38 16.353 4.015 -2.954 1.00 0.00 O ATOM 1785 CB LYS C 38 15.647 6.935 -3.048 1.00 0.00 C ATOM 1786 CG LYS C 38 14.683 8.075 -3.394 1.00 0.00 C ATOM 1787 CD LYS C 38 13.587 7.614 -4.356 1.00 0.00 C ATOM 1788 CE LYS C 38 14.108 7.418 -5.778 1.00 0.00 C ATOM 1789 NZ LYS C 38 14.471 8.705 -6.401 1.00 0.00 N ATOM 0 H LYS C 38 14.752 7.243 -0.772 1.00 0.00 H new ATOM 0 HA LYS C 38 14.094 5.480 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.464 7.315 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.091 6.536 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.228 8.458 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.239 8.898 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.161 6.678 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.782 8.349 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS C 38 14.978 6.762 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS C 38 13.347 6.922 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 14.576 8.576 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.724 9.404 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 15.370 9.043 -6.001 1.00 0.00 H new ATOM 1803 N ASP C 39 15.927 4.273 -0.753 1.00 0.00 N ATOM 1804 CA ASP C 39 16.607 3.084 -0.270 1.00 0.00 C ATOM 1805 C ASP C 39 15.851 1.818 -0.681 1.00 0.00 C ATOM 1806 O ASP C 39 16.374 0.713 -0.550 1.00 0.00 O ATOM 1807 CB ASP C 39 16.682 3.165 1.255 1.00 0.00 C ATOM 1808 CG ASP C 39 17.716 2.197 1.819 1.00 0.00 C ATOM 1809 OD1 ASP C 39 18.902 2.335 1.442 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.312 1.330 2.625 1.00 0.00 O ATOM 0 H ASP C 39 15.544 4.843 0.001 1.00 0.00 H new ATOM 0 HA ASP C 39 17.606 3.035 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP C 39 16.934 4.182 1.554 1.00 0.00 H new ATOM 0 HB3 ASP C 39 15.704 2.941 1.680 1.00 0.00 H new ATOM 1815 N VAL C 40 14.619 1.983 -1.176 1.00 0.00 N ATOM 1816 CA VAL C 40 13.754 0.883 -1.575 1.00 0.00 C ATOM 1817 C VAL C 40 13.064 1.219 -2.892 1.00 0.00 C ATOM 1818 O VAL C 40 13.109 2.362 -3.350 1.00 0.00 O ATOM 1819 CB VAL C 40 12.719 0.584 -0.476 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.403 0.356 0.870 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.708 1.718 -0.324 1.00 0.00 C ATOM 0 H VAL C 40 14.195 2.901 -1.310 1.00 0.00 H new ATOM 0 HA VAL C 40 14.361 -0.011 -1.717 1.00 0.00 H new ATOM 0 HB VAL C 40 12.193 -0.320 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.650 0.147 1.630 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.086 -0.490 0.793 1.00 0.00 H new ATOM 0 HG13 VAL C 40 13.962 1.249 1.150 1.00 0.00 H new ATOM 0 HG21 VAL C 40 10.995 1.467 0.462 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.230 2.638 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.176 1.860 -1.265 1.00 0.00 H new ATOM 1831 N ALA C 41 12.422 0.228 -3.513 1.00 0.00 N ATOM 1832 CA ALA C 41 11.767 0.423 -4.793 1.00 0.00 C ATOM 1833 C ALA C 41 10.250 0.431 -4.634 1.00 0.00 C ATOM 1834 O ALA C 41 9.723 -0.139 -3.684 1.00 0.00 O ATOM 1835 CB ALA C 41 12.202 -0.694 -5.740 1.00 0.00 C ATOM 0 H ALA C 41 12.346 -0.719 -3.142 1.00 0.00 H new ATOM 0 HA ALA C 41 12.057 1.390 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.717 -0.561 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.284 -0.661 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.916 -1.659 -5.321 1.00 0.00 H new ATOM 1841 N VAL C 42 9.552 1.078 -5.569 1.00 0.00 N ATOM 1842 CA VAL C 42 8.095 1.061 -5.609 1.00 0.00 C ATOM 1843 C VAL C 42 7.628 1.389 -7.026 1.00 0.00 C ATOM 1844 O VAL C 42 8.048 2.393 -7.601 1.00 0.00 O ATOM 1845 CB VAL C 42 7.511 2.040 -4.579 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.347 3.307 -4.448 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.081 2.440 -4.937 1.00 0.00 C ATOM 0 H VAL C 42 9.982 1.625 -6.315 1.00 0.00 H new ATOM 0 HA VAL C 42 7.734 0.067 -5.345 1.00 0.00 H new ATOM 0 HB VAL C 42 7.520 1.509 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.894 3.967 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.357 3.046 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.390 3.816 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.699 3.133 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.072 2.922 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.451 1.551 -4.964 1.00 0.00 H new ATOM 1857 N HIS C 43 6.762 0.541 -7.582 1.00 0.00 N ATOM 1858 CA HIS C 43 6.205 0.739 -8.912 1.00 0.00 C ATOM 1859 C HIS C 43 4.857 0.037 -9.021 1.00 0.00 C ATOM 1860 O HIS C 43 4.515 -0.786 -8.173 1.00 0.00 O ATOM 1861 CB HIS C 43 7.133 0.164 -9.989 1.00 0.00 C ATOM 1862 CG HIS C 43 8.603 0.357 -9.737 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.395 1.366 -10.287 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.375 -0.432 -8.934 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.628 1.161 -9.794 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.644 0.092 -8.983 1.00 0.00 N ATOM 0 H HIS C 43 6.429 -0.304 -7.118 1.00 0.00 H new ATOM 0 HA HIS C 43 6.091 1.812 -9.067 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.934 -0.903 -10.085 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.881 0.622 -10.945 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.100 2.103 -10.928 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.052 -1.296 -8.372 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.489 1.773 -10.020 1.00 0.00 H new ATOM 1874 N ARG C 44 4.091 0.359 -10.067 1.00 0.00 N ATOM 1875 CA ARG C 44 2.857 -0.349 -10.363 1.00 0.00 C ATOM 1876 C ARG C 44 3.242 -1.790 -10.672 1.00 0.00 C ATOM 1877 O ARG C 44 4.347 -2.037 -11.153 1.00 0.00 O ATOM 1878 CB ARG C 44 2.181 0.322 -11.562 1.00 0.00 C ATOM 1879 CG ARG C 44 1.784 1.768 -11.247 1.00 0.00 C ATOM 1880 CD ARG C 44 1.497 2.546 -12.533 1.00 0.00 C ATOM 1881 NE ARG C 44 0.420 1.931 -13.318 1.00 0.00 N ATOM 1882 CZ ARG C 44 0.558 1.485 -14.569 1.00 0.00 C ATOM 1883 NH1 ARG C 44 1.717 1.594 -15.213 1.00 0.00 N ATOM 1884 NH2 ARG C 44 -0.474 0.917 -15.187 1.00 0.00 N ATOM 0 H ARG C 44 4.311 1.110 -10.721 1.00 0.00 H new ATOM 0 HA ARG C 44 2.154 -0.327 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG C 44 2.857 0.307 -12.417 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.295 -0.246 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG C 44 0.902 1.776 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG C 44 2.585 2.257 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG C 44 1.224 3.571 -12.283 1.00 0.00 H new ATOM 0 HD3 ARG C 44 2.403 2.596 -13.137 1.00 0.00 H new ATOM 0 HE ARG C 44 -0.496 1.838 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG C 44 2.519 2.024 -14.751 1.00 0.00 H new ATOM 0 HH12 ARG C 44 1.804 1.248 -16.168 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -1.368 0.823 -14.705 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -0.371 0.576 -16.143 1.00 0.00 H new ATOM 1898 N GLU C 45 2.354 -2.752 -10.415 1.00 0.00 N ATOM 1899 CA GLU C 45 2.690 -4.144 -10.683 1.00 0.00 C ATOM 1900 C GLU C 45 2.903 -4.368 -12.182 1.00 0.00 C ATOM 1901 O GLU C 45 3.405 -5.405 -12.603 1.00 0.00 O ATOM 1902 CB GLU C 45 1.619 -5.062 -10.088 1.00 0.00 C ATOM 1903 CG GLU C 45 2.012 -6.527 -10.269 1.00 0.00 C ATOM 1904 CD GLU C 45 1.236 -7.466 -9.346 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.598 -7.513 -8.152 1.00 0.00 O ATOM 1906 OE2 GLU C 45 0.296 -8.121 -9.847 1.00 0.00 O ATOM 0 H GLU C 45 1.422 -2.596 -10.032 1.00 0.00 H new ATOM 0 HA GLU C 45 3.634 -4.394 -10.198 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.490 -4.842 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.660 -4.874 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.840 -6.819 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU C 45 3.080 -6.638 -10.079 1.00 0.00 H new ATOM 1913 N GLU C 46 2.514 -3.381 -12.998 1.00 0.00 N ATOM 1914 CA GLU C 46 2.756 -3.385 -14.432 1.00 0.00 C ATOM 1915 C GLU C 46 4.239 -3.164 -14.724 1.00 0.00 C ATOM 1916 O GLU C 46 4.816 -3.842 -15.572 1.00 0.00 O ATOM 1917 CB GLU C 46 1.946 -2.241 -15.043 1.00 0.00 C ATOM 1918 CG GLU C 46 2.064 -2.205 -16.566 1.00 0.00 C ATOM 1919 CD GLU C 46 1.287 -1.015 -17.127 1.00 0.00 C ATOM 1920 OE1 GLU C 46 0.042 -1.116 -17.205 1.00 0.00 O ATOM 1921 OE2 GLU C 46 1.941 -0.008 -17.477 1.00 0.00 O ATOM 0 H GLU C 46 2.018 -2.552 -12.671 1.00 0.00 H new ATOM 0 HA GLU C 46 2.462 -4.345 -14.856 1.00 0.00 H new ATOM 0 HB2 GLU C 46 0.898 -2.349 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU C 46 2.290 -1.293 -14.630 1.00 0.00 H new ATOM 0 HG2 GLU C 46 3.112 -2.133 -16.855 1.00 0.00 H new ATOM 0 HG3 GLU C 46 1.679 -3.133 -16.990 1.00 0.00 H new ATOM 1928 N ILE C 47 4.866 -2.212 -14.023 1.00 0.00 N ATOM 1929 CA ILE C 47 6.243 -1.828 -14.296 1.00 0.00 C ATOM 1930 C ILE C 47 7.209 -2.779 -13.603 1.00 0.00 C ATOM 1931 O ILE C 47 8.345 -2.940 -14.041 1.00 0.00 O ATOM 1932 CB ILE C 47 6.494 -0.394 -13.813 1.00 0.00 C ATOM 1933 CG1 ILE C 47 5.382 0.571 -14.247 1.00 0.00 C ATOM 1934 CG2 ILE C 47 7.839 0.113 -14.340 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.073 0.483 -15.739 1.00 0.00 C ATOM 0 H ILE C 47 4.432 -1.694 -13.259 1.00 0.00 H new ATOM 0 HA ILE C 47 6.409 -1.880 -15.372 1.00 0.00 H new ATOM 0 HB ILE C 47 6.505 -0.423 -12.723 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.477 0.354 -13.680 1.00 0.00 H new ATOM 0 HG13 ILE C 47 5.676 1.591 -14.001 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.006 1.132 -13.991 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.639 -0.531 -13.975 1.00 0.00 H new ATOM 0 HG23 ILE C 47 7.831 0.100 -15.430 1.00 0.00 H new ATOM 0 HD11 ILE C 47 4.279 1.187 -15.988 1.00 0.00 H new ATOM 0 HD12 ILE C 47 5.968 0.727 -16.311 1.00 0.00 H new ATOM 0 HD13 ILE C 47 4.751 -0.529 -15.985 1.00 0.00 H new ATOM 1947 N TYR C 48 6.769 -3.418 -12.519 1.00 0.00 N ATOM 1948 CA TYR C 48 7.593 -4.364 -11.792 1.00 0.00 C ATOM 1949 C TYR C 48 8.029 -5.516 -12.698 1.00 0.00 C ATOM 1950 O TYR C 48 9.082 -6.113 -12.484 1.00 0.00 O ATOM 1951 CB TYR C 48 6.792 -4.863 -10.587 1.00 0.00 C ATOM 1952 CG TYR C 48 7.545 -5.812 -9.685 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.359 -5.308 -8.658 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.426 -7.196 -9.879 1.00 0.00 C ATOM 1955 CE1 TYR C 48 9.043 -6.189 -7.808 1.00 0.00 C ATOM 1956 CE2 TYR C 48 8.091 -8.079 -9.022 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.898 -7.582 -7.981 1.00 0.00 C ATOM 1958 OH TYR C 48 9.535 -8.455 -7.151 1.00 0.00 O ATOM 0 H TYR C 48 5.836 -3.291 -12.128 1.00 0.00 H new ATOM 0 HA TYR C 48 8.506 -3.881 -11.445 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.469 -4.003 -10.000 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.891 -5.361 -10.946 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.458 -4.241 -8.523 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.822 -7.579 -10.688 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.678 -5.803 -7.024 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.985 -9.145 -9.159 1.00 0.00 H new ATOM 0 HH TYR C 48 10.470 -8.182 -7.045 1.00 0.00 H new