USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0493 (180deg=-0.363) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 0.0422 (180deg=0) USER MOD Single : A 11 MET CE :methyl -174:sc= -1.22 (180deg=-1.29) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -50:sc= -1.76 USER MOD Single : A 37 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-6.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.75! C(o=-7.7!,f=-6.1!) USER MOD Single : A 54 MET CE :methyl -166:sc= -0.131 (180deg=-0.251) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -54:sc= -0.673 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -174:sc= -0.474 USER MOD Single : A 79 ASN : amide:sc= -3.45! K(o=-3.5!,f=-0.13) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -147:sc= -0.211 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.244 16.702 5.908 1.00 0.00 N ATOM 2 CA MET A 1 11.967 15.985 6.155 1.00 0.00 C ATOM 3 C MET A 1 10.964 16.876 6.880 1.00 0.00 C ATOM 4 O MET A 1 11.339 17.721 7.695 1.00 0.00 O ATOM 5 CB MET A 1 12.265 14.742 6.995 1.00 0.00 C ATOM 6 CG MET A 1 11.942 13.437 6.286 1.00 0.00 C ATOM 7 SD MET A 1 12.118 11.999 7.360 1.00 0.00 S ATOM 8 CE MET A 1 13.877 12.044 7.699 1.00 0.00 C ATOM 0 H1 MET A 1 13.906 16.071 5.414 1.00 0.00 H new ATOM 0 H2 MET A 1 13.063 17.542 5.322 1.00 0.00 H new ATOM 0 H3 MET A 1 13.658 16.996 6.816 1.00 0.00 H new ATOM 0 HA MET A 1 11.525 15.702 5.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.319 14.745 7.271 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.693 14.794 7.921 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.922 13.478 5.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.600 13.324 5.424 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.187 11.096 8.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.422 12.210 6.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.093 12.854 8.396 1.00 0.00 H new ATOM 20 N GLY A 2 9.687 16.688 6.563 1.00 0.00 N ATOM 21 CA GLY A 2 8.635 17.480 7.176 1.00 0.00 C ATOM 22 C GLY A 2 7.284 17.192 6.551 1.00 0.00 C ATOM 23 O GLY A 2 6.277 17.802 6.909 1.00 0.00 O ATOM 0 H GLY A 2 9.360 15.997 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.595 17.268 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.867 18.540 7.070 1.00 0.00 H new ATOM 27 N ASP A 3 7.286 16.299 5.564 1.00 0.00 N ATOM 28 CA ASP A 3 6.065 15.908 4.869 1.00 0.00 C ATOM 29 C ASP A 3 5.436 14.675 5.512 1.00 0.00 C ATOM 30 O ASP A 3 6.081 13.973 6.289 1.00 0.00 O ATOM 31 CB ASP A 3 6.358 15.638 3.392 1.00 0.00 C ATOM 32 CG ASP A 3 7.053 14.308 3.172 1.00 0.00 C ATOM 33 OD1 ASP A 3 8.301 14.274 3.228 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.351 13.302 2.940 1.00 0.00 O ATOM 0 H ASP A 3 8.127 15.830 5.227 1.00 0.00 H new ATOM 0 HA ASP A 3 5.356 16.732 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.424 15.653 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.981 16.440 2.996 1.00 0.00 H new ATOM 39 N VAL A 4 4.178 14.416 5.176 1.00 0.00 N ATOM 40 CA VAL A 4 3.471 13.252 5.699 1.00 0.00 C ATOM 41 C VAL A 4 3.459 12.112 4.684 1.00 0.00 C ATOM 42 O VAL A 4 3.217 12.332 3.500 1.00 0.00 O ATOM 43 CB VAL A 4 2.016 13.591 6.081 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.646 12.929 7.399 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.809 15.096 6.155 1.00 0.00 C ATOM 0 H VAL A 4 3.626 14.996 4.544 1.00 0.00 H new ATOM 0 HA VAL A 4 4.009 12.940 6.594 1.00 0.00 H new ATOM 0 HB VAL A 4 1.359 13.202 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.616 13.178 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.745 11.848 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.311 13.286 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.775 15.308 6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.475 15.518 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.028 15.542 5.185 1.00 0.00 H new ATOM 55 N VAL A 5 3.702 10.893 5.156 1.00 0.00 N ATOM 56 CA VAL A 5 3.686 9.721 4.285 1.00 0.00 C ATOM 57 C VAL A 5 2.872 8.592 4.912 1.00 0.00 C ATOM 58 O VAL A 5 3.116 8.202 6.051 1.00 0.00 O ATOM 59 CB VAL A 5 5.116 9.217 3.980 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.103 7.755 3.555 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.761 10.079 2.906 1.00 0.00 C ATOM 0 H VAL A 5 3.912 10.691 6.133 1.00 0.00 H new ATOM 0 HA VAL A 5 3.220 10.025 3.348 1.00 0.00 H new ATOM 0 HB VAL A 5 5.706 9.295 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.122 7.428 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.683 7.147 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.495 7.642 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.767 9.713 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.165 10.031 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.814 11.112 3.251 1.00 0.00 H new ATOM 71 N ALA A 6 1.908 8.065 4.161 1.00 0.00 N ATOM 72 CA ALA A 6 1.079 6.966 4.643 1.00 0.00 C ATOM 73 C ALA A 6 1.659 5.631 4.191 1.00 0.00 C ATOM 74 O ALA A 6 2.572 5.599 3.370 1.00 0.00 O ATOM 75 CB ALA A 6 -0.351 7.122 4.149 1.00 0.00 C ATOM 0 H ALA A 6 1.683 8.381 3.218 1.00 0.00 H new ATOM 0 HA ALA A 6 1.069 6.989 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.956 6.294 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.762 8.063 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.361 7.122 3.059 1.00 0.00 H new ATOM 81 N THR A 7 1.146 4.532 4.739 1.00 0.00 N ATOM 82 CA THR A 7 1.644 3.212 4.372 1.00 0.00 C ATOM 83 C THR A 7 0.526 2.171 4.308 1.00 0.00 C ATOM 84 O THR A 7 -0.262 2.009 5.251 1.00 0.00 O ATOM 85 CB THR A 7 2.733 2.763 5.341 1.00 0.00 C ATOM 86 OG1 THR A 7 3.639 3.819 5.602 1.00 0.00 O ATOM 87 CG2 THR A 7 3.532 1.586 4.828 1.00 0.00 C ATOM 0 H THR A 7 0.396 4.529 5.430 1.00 0.00 H new ATOM 0 HA THR A 7 2.069 3.295 3.372 1.00 0.00 H new ATOM 0 HB THR A 7 2.211 2.462 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.329 3.511 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.291 1.314 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.866 0.739 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.016 1.856 3.889 1.00 0.00 H new ATOM 95 N ILE A 8 0.501 1.450 3.190 1.00 0.00 N ATOM 96 CA ILE A 8 -0.506 0.429 2.923 1.00 0.00 C ATOM 97 C ILE A 8 0.156 -0.940 2.695 1.00 0.00 C ATOM 98 O ILE A 8 0.830 -1.144 1.687 1.00 0.00 O ATOM 99 CB ILE A 8 -1.324 0.820 1.675 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.696 2.309 1.718 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.564 -0.038 1.554 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.822 2.638 2.679 1.00 0.00 C ATOM 0 H ILE A 8 1.183 1.559 2.440 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.166 0.359 3.788 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.706 0.647 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.814 2.885 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.982 2.630 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.125 0.256 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.275 -1.086 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.187 0.096 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.024 3.709 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.719 2.092 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.533 2.350 3.690 1.00 0.00 H new ATOM 114 N LYS A 9 0.014 -1.852 3.662 1.00 0.00 N ATOM 115 CA LYS A 9 0.648 -3.177 3.580 1.00 0.00 C ATOM 116 C LYS A 9 -0.313 -4.249 3.069 1.00 0.00 C ATOM 117 O LYS A 9 -1.059 -4.844 3.840 1.00 0.00 O ATOM 118 CB LYS A 9 1.187 -3.593 4.945 1.00 0.00 C ATOM 119 CG LYS A 9 1.325 -2.443 5.932 1.00 0.00 C ATOM 120 CD LYS A 9 2.777 -2.100 6.198 1.00 0.00 C ATOM 121 CE LYS A 9 3.409 -3.067 7.188 1.00 0.00 C ATOM 122 NZ LYS A 9 3.304 -2.574 8.589 1.00 0.00 N ATOM 0 H LYS A 9 -0.532 -1.700 4.510 1.00 0.00 H new ATOM 0 HA LYS A 9 1.467 -3.091 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.525 -4.347 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.161 -4.063 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.810 -1.565 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.837 -2.708 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.334 -2.122 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.846 -1.084 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.922 -4.039 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.458 -3.214 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.045 -3.017 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.424 -1.541 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.370 -2.819 8.974 1.00 0.00 H new ATOM 136 N VAL A 10 -0.258 -4.522 1.776 1.00 0.00 N ATOM 137 CA VAL A 10 -1.161 -5.495 1.155 1.00 0.00 C ATOM 138 C VAL A 10 -0.529 -6.887 1.064 1.00 0.00 C ATOM 139 O VAL A 10 0.646 -7.023 0.724 1.00 0.00 O ATOM 140 CB VAL A 10 -1.614 -5.018 -0.252 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.221 -3.563 -0.477 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.057 -5.901 -1.363 1.00 0.00 C ATOM 0 H VAL A 10 0.401 -4.087 1.130 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.037 -5.569 1.799 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.700 -5.099 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.547 -3.247 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.696 -2.937 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.138 -3.463 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.400 -5.530 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.032 -5.881 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.405 -6.924 -1.223 1.00 0.00 H new ATOM 152 N MET A 11 -1.316 -7.921 1.376 1.00 0.00 N ATOM 153 CA MET A 11 -0.826 -9.297 1.308 1.00 0.00 C ATOM 154 C MET A 11 -1.939 -10.287 0.918 1.00 0.00 C ATOM 155 O MET A 11 -2.960 -10.407 1.606 1.00 0.00 O ATOM 156 CB MET A 11 -0.169 -9.703 2.642 1.00 0.00 C ATOM 157 CG MET A 11 -1.102 -10.370 3.645 1.00 0.00 C ATOM 158 SD MET A 11 -0.307 -11.711 4.551 1.00 0.00 S ATOM 159 CE MET A 11 -0.565 -13.085 3.429 1.00 0.00 C ATOM 0 H MET A 11 -2.287 -7.831 1.676 1.00 0.00 H new ATOM 0 HA MET A 11 -0.072 -9.338 0.522 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.657 -10.382 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.260 -8.813 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.462 -9.623 4.352 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.975 -10.759 3.120 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.223 -14.007 3.898 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.626 -13.169 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.003 -12.915 2.511 1.00 0.00 H new ATOM 169 N PRO A 12 -1.740 -11.026 -0.192 1.00 0.00 N ATOM 170 CA PRO A 12 -2.695 -12.033 -0.676 1.00 0.00 C ATOM 171 C PRO A 12 -2.724 -13.268 0.218 1.00 0.00 C ATOM 172 O PRO A 12 -1.702 -13.921 0.429 1.00 0.00 O ATOM 173 CB PRO A 12 -2.169 -12.395 -2.075 1.00 0.00 C ATOM 174 CG PRO A 12 -1.183 -11.327 -2.401 1.00 0.00 C ATOM 175 CD PRO A 12 -0.585 -10.926 -1.085 1.00 0.00 C ATOM 0 HA PRO A 12 -3.717 -11.655 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.701 -13.379 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.977 -12.423 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.418 -11.694 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.667 -10.480 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.224 -11.591 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.175 -9.917 -1.112 1.00 0.00 H new ATOM 183 N GLU A 13 -3.900 -13.564 0.757 1.00 0.00 N ATOM 184 CA GLU A 13 -4.081 -14.707 1.644 1.00 0.00 C ATOM 185 C GLU A 13 -3.650 -16.004 0.971 1.00 0.00 C ATOM 186 O GLU A 13 -3.219 -16.946 1.636 1.00 0.00 O ATOM 187 CB GLU A 13 -5.543 -14.810 2.081 1.00 0.00 C ATOM 188 CG GLU A 13 -5.829 -14.130 3.412 1.00 0.00 C ATOM 189 CD GLU A 13 -5.423 -14.981 4.599 1.00 0.00 C ATOM 190 OE1 GLU A 13 -4.209 -15.215 4.774 1.00 0.00 O ATOM 191 OE2 GLU A 13 -6.318 -15.412 5.355 1.00 0.00 O ATOM 0 H GLU A 13 -4.749 -13.023 0.594 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.452 -14.552 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.176 -14.366 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.819 -15.862 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.297 -13.179 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.893 -13.903 3.479 1.00 0.00 H new ATOM 198 N SER A 14 -3.796 -16.057 -0.347 1.00 0.00 N ATOM 199 CA SER A 14 -3.426 -17.243 -1.107 1.00 0.00 C ATOM 200 C SER A 14 -1.920 -17.315 -1.304 1.00 0.00 C ATOM 201 O SER A 14 -1.232 -16.295 -1.286 1.00 0.00 O ATOM 202 CB SER A 14 -4.138 -17.249 -2.463 1.00 0.00 C ATOM 203 OG SER A 14 -5.358 -17.966 -2.396 1.00 0.00 O ATOM 0 H SER A 14 -4.168 -15.293 -0.911 1.00 0.00 H new ATOM 0 HA SER A 14 -3.738 -18.120 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.332 -16.224 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.490 -17.698 -3.216 1.00 0.00 H new ATOM 0 HG SER A 14 -5.794 -17.953 -3.274 1.00 0.00 H new ATOM 209 N PRO A 15 -1.384 -18.532 -1.483 1.00 0.00 N ATOM 210 CA PRO A 15 0.047 -18.738 -1.680 1.00 0.00 C ATOM 211 C PRO A 15 0.508 -18.228 -3.039 1.00 0.00 C ATOM 212 O PRO A 15 1.702 -18.206 -3.334 1.00 0.00 O ATOM 213 CB PRO A 15 0.226 -20.260 -1.576 1.00 0.00 C ATOM 214 CG PRO A 15 -1.088 -20.802 -1.116 1.00 0.00 C ATOM 215 CD PRO A 15 -2.126 -19.800 -1.519 1.00 0.00 C ATOM 0 HA PRO A 15 0.643 -18.192 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.507 -20.686 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.019 -20.512 -0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.288 -21.772 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.090 -20.950 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.525 -20.007 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.971 -19.794 -0.831 1.00 0.00 H new ATOM 223 N ASP A 16 -0.452 -17.809 -3.858 1.00 0.00 N ATOM 224 CA ASP A 16 -0.153 -17.265 -5.174 1.00 0.00 C ATOM 225 C ASP A 16 0.019 -15.753 -5.094 1.00 0.00 C ATOM 226 O ASP A 16 -0.339 -15.026 -6.022 1.00 0.00 O ATOM 227 CB ASP A 16 -1.266 -17.616 -6.163 1.00 0.00 C ATOM 228 CG ASP A 16 -0.741 -17.846 -7.567 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.327 -18.479 -7.705 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.396 -17.392 -8.527 1.00 0.00 O ATOM 0 H ASP A 16 -1.446 -17.837 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 16 0.779 -17.707 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.783 -18.512 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.000 -16.811 -6.180 1.00 0.00 H new ATOM 235 N VAL A 17 0.555 -15.286 -3.971 1.00 0.00 N ATOM 236 CA VAL A 17 0.774 -13.860 -3.763 1.00 0.00 C ATOM 237 C VAL A 17 1.853 -13.350 -4.725 1.00 0.00 C ATOM 238 O VAL A 17 3.049 -13.378 -4.431 1.00 0.00 O ATOM 239 CB VAL A 17 1.114 -13.530 -2.279 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.573 -14.767 -1.537 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.126 -12.394 -2.140 1.00 0.00 C ATOM 0 H VAL A 17 0.846 -15.875 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.157 -13.337 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 17 0.190 -13.177 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.803 -14.507 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.782 -15.516 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.465 -15.170 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.323 -12.210 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.054 -12.671 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.723 -11.490 -2.597 1.00 0.00 H new ATOM 251 N ASP A 18 1.413 -12.998 -5.927 1.00 0.00 N ATOM 252 CA ASP A 18 2.309 -12.485 -6.957 1.00 0.00 C ATOM 253 C ASP A 18 2.805 -11.096 -6.583 1.00 0.00 C ATOM 254 O ASP A 18 2.052 -10.128 -6.632 1.00 0.00 O ATOM 255 CB ASP A 18 1.595 -12.443 -8.309 1.00 0.00 C ATOM 256 CG ASP A 18 1.634 -13.776 -9.029 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.626 -14.517 -8.857 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.675 -14.080 -9.769 1.00 0.00 O ATOM 0 H ASP A 18 0.436 -13.059 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 18 3.167 -13.153 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.557 -12.145 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.057 -11.681 -8.937 1.00 0.00 H new ATOM 263 N LEU A 19 4.064 -11.012 -6.174 1.00 0.00 N ATOM 264 CA LEU A 19 4.653 -9.741 -5.773 1.00 0.00 C ATOM 265 C LEU A 19 4.671 -8.754 -6.931 1.00 0.00 C ATOM 266 O LEU A 19 4.213 -7.618 -6.798 1.00 0.00 O ATOM 267 CB LEU A 19 6.079 -9.954 -5.257 1.00 0.00 C ATOM 268 CG LEU A 19 6.562 -8.914 -4.247 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.492 -9.554 -3.228 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.256 -7.762 -4.958 1.00 0.00 C ATOM 0 H LEU A 19 4.697 -11.809 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 19 4.038 -9.327 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.139 -10.940 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.761 -9.956 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 19 5.695 -8.517 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.827 -8.799 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.961 -10.344 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.356 -9.978 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.593 -7.031 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.114 -8.141 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.559 -7.287 -5.648 1.00 0.00 H new ATOM 282 N GLU A 20 5.153 -9.210 -8.080 1.00 0.00 N ATOM 283 CA GLU A 20 5.261 -8.351 -9.250 1.00 0.00 C ATOM 284 C GLU A 20 3.883 -7.987 -9.783 1.00 0.00 C ATOM 285 O GLU A 20 3.662 -6.859 -10.226 1.00 0.00 O ATOM 286 CB GLU A 20 6.078 -9.043 -10.343 1.00 0.00 C ATOM 287 CG GLU A 20 6.173 -8.241 -11.633 1.00 0.00 C ATOM 288 CD GLU A 20 6.825 -6.887 -11.432 1.00 0.00 C ATOM 289 OE1 GLU A 20 8.061 -6.843 -11.260 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.100 -5.870 -11.446 1.00 0.00 O ATOM 0 H GLU A 20 5.474 -10.167 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 20 5.770 -7.434 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.084 -9.233 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.631 -10.013 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.743 -8.809 -12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.173 -8.101 -12.044 1.00 0.00 H new ATOM 297 N ALA A 21 2.958 -8.938 -9.743 1.00 0.00 N ATOM 298 CA ALA A 21 1.602 -8.676 -10.206 1.00 0.00 C ATOM 299 C ALA A 21 0.876 -7.752 -9.240 1.00 0.00 C ATOM 300 O ALA A 21 0.053 -6.932 -9.645 1.00 0.00 O ATOM 301 CB ALA A 21 0.833 -9.973 -10.396 1.00 0.00 C ATOM 0 H ALA A 21 3.119 -9.885 -9.400 1.00 0.00 H new ATOM 0 HA ALA A 21 1.663 -8.178 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.176 -9.750 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.341 -10.593 -11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.782 -10.508 -9.448 1.00 0.00 H new ATOM 307 N LEU A 22 1.180 -7.904 -7.958 1.00 0.00 N ATOM 308 CA LEU A 22 0.591 -7.061 -6.927 1.00 0.00 C ATOM 309 C LEU A 22 1.052 -5.627 -7.115 1.00 0.00 C ATOM 310 O LEU A 22 0.320 -4.681 -6.832 1.00 0.00 O ATOM 311 CB LEU A 22 0.992 -7.564 -5.533 1.00 0.00 C ATOM 312 CG LEU A 22 -0.020 -7.317 -4.401 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.432 -7.121 -4.940 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.011 -8.465 -3.408 1.00 0.00 C ATOM 0 H LEU A 22 1.833 -8.605 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.495 -7.104 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.179 -8.636 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.935 -7.092 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 22 0.270 -6.397 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.118 -6.949 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.450 -6.261 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.740 -8.012 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.710 -8.277 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.245 -9.394 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.010 -8.549 -2.980 1.00 0.00 H new ATOM 326 N LYS A 23 2.272 -5.489 -7.613 1.00 0.00 N ATOM 327 CA LYS A 23 2.862 -4.187 -7.868 1.00 0.00 C ATOM 328 C LYS A 23 1.993 -3.385 -8.825 1.00 0.00 C ATOM 329 O LYS A 23 1.729 -2.204 -8.600 1.00 0.00 O ATOM 330 CB LYS A 23 4.263 -4.362 -8.450 1.00 0.00 C ATOM 331 CG LYS A 23 5.372 -4.080 -7.450 1.00 0.00 C ATOM 332 CD LYS A 23 6.550 -3.388 -8.108 1.00 0.00 C ATOM 333 CE LYS A 23 7.781 -4.280 -8.126 1.00 0.00 C ATOM 334 NZ LYS A 23 8.922 -3.668 -7.389 1.00 0.00 N ATOM 0 H LYS A 23 2.878 -6.275 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 23 2.930 -3.641 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.369 -5.381 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.378 -3.697 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.986 -3.456 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.703 -5.015 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.286 -3.110 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.776 -2.465 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.537 -5.244 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.076 -4.471 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.741 -4.307 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.172 -2.759 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.650 -3.509 -6.398 1.00 0.00 H new ATOM 348 N LYS A 24 1.543 -4.040 -9.888 1.00 0.00 N ATOM 349 CA LYS A 24 0.686 -3.396 -10.871 1.00 0.00 C ATOM 350 C LYS A 24 -0.662 -3.043 -10.257 1.00 0.00 C ATOM 351 O LYS A 24 -1.207 -1.966 -10.505 1.00 0.00 O ATOM 352 CB LYS A 24 0.482 -4.308 -12.083 1.00 0.00 C ATOM 353 CG LYS A 24 1.705 -5.142 -12.434 1.00 0.00 C ATOM 354 CD LYS A 24 1.845 -5.321 -13.936 1.00 0.00 C ATOM 355 CE LYS A 24 0.975 -6.459 -14.444 1.00 0.00 C ATOM 356 NZ LYS A 24 -0.139 -5.966 -15.302 1.00 0.00 N ATOM 0 H LYS A 24 1.758 -5.016 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 24 1.174 -2.478 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.358 -4.975 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.210 -3.698 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.600 -4.661 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.630 -6.119 -11.956 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.568 -4.396 -14.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.888 -5.520 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.588 -7.159 -15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.565 -7.009 -13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.709 -6.772 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.739 -5.317 -14.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.252 -5.463 -16.124 1.00 0.00 H new ATOM 370 N GLU A 25 -1.206 -3.966 -9.466 1.00 0.00 N ATOM 371 CA GLU A 25 -2.493 -3.743 -8.814 1.00 0.00 C ATOM 372 C GLU A 25 -2.383 -2.627 -7.788 1.00 0.00 C ATOM 373 O GLU A 25 -3.349 -1.918 -7.508 1.00 0.00 O ATOM 374 CB GLU A 25 -2.978 -5.028 -8.142 1.00 0.00 C ATOM 375 CG GLU A 25 -3.165 -6.187 -9.108 1.00 0.00 C ATOM 376 CD GLU A 25 -4.279 -7.124 -8.688 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.452 -6.833 -9.006 1.00 0.00 O ATOM 378 OE2 GLU A 25 -3.980 -8.148 -8.038 1.00 0.00 O ATOM 0 H GLU A 25 -0.778 -4.869 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.217 -3.449 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.262 -5.319 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.924 -4.830 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.381 -5.795 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.233 -6.747 -9.182 1.00 0.00 H new ATOM 385 N ILE A 26 -1.201 -2.495 -7.212 1.00 0.00 N ATOM 386 CA ILE A 26 -0.943 -1.468 -6.217 1.00 0.00 C ATOM 387 C ILE A 26 -1.121 -0.081 -6.815 1.00 0.00 C ATOM 388 O ILE A 26 -1.701 0.804 -6.190 1.00 0.00 O ATOM 389 CB ILE A 26 0.478 -1.607 -5.630 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.468 -2.592 -4.462 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.022 -0.258 -5.181 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.746 -3.388 -4.335 1.00 0.00 C ATOM 0 H ILE A 26 -0.399 -3.091 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.665 -1.601 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 26 1.134 -1.989 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.297 -2.043 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.369 -3.280 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.024 -0.388 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.063 0.420 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.369 0.161 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.669 -4.067 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.908 -3.964 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.584 -2.708 -4.181 1.00 0.00 H new ATOM 404 N GLN A 27 -0.599 0.106 -8.020 1.00 0.00 N ATOM 405 CA GLN A 27 -0.680 1.392 -8.697 1.00 0.00 C ATOM 406 C GLN A 27 -2.128 1.798 -8.931 1.00 0.00 C ATOM 407 O GLN A 27 -2.472 2.978 -8.846 1.00 0.00 O ATOM 408 CB GLN A 27 0.067 1.336 -10.030 1.00 0.00 C ATOM 409 CG GLN A 27 1.511 0.880 -9.898 1.00 0.00 C ATOM 410 CD GLN A 27 2.490 1.850 -10.529 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.696 1.841 -11.744 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.101 2.695 -9.706 1.00 0.00 N ATOM 0 H GLN A 27 -0.114 -0.619 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.214 2.140 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.459 0.660 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.047 2.324 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.755 0.759 -8.842 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.623 -0.098 -10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.901 2.668 -8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.770 3.371 -10.074 1.00 0.00 H new ATOM 421 N GLU A 28 -2.966 0.824 -9.268 1.00 0.00 N ATOM 422 CA GLU A 28 -4.374 1.096 -9.535 1.00 0.00 C ATOM 423 C GLU A 28 -5.156 1.288 -8.241 1.00 0.00 C ATOM 424 O GLU A 28 -6.232 1.886 -8.236 1.00 0.00 O ATOM 425 CB GLU A 28 -4.986 -0.033 -10.365 1.00 0.00 C ATOM 426 CG GLU A 28 -5.238 -1.309 -9.579 1.00 0.00 C ATOM 427 CD GLU A 28 -5.917 -2.381 -10.409 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.207 -3.104 -11.139 1.00 0.00 O ATOM 429 OE2 GLU A 28 -7.158 -2.498 -10.328 1.00 0.00 O ATOM 0 H GLU A 28 -2.697 -0.155 -9.362 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.434 2.024 -10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.928 0.312 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.322 -0.257 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.290 -1.693 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.857 -1.081 -8.711 1.00 0.00 H new ATOM 436 N ARG A 29 -4.615 0.762 -7.148 1.00 0.00 N ATOM 437 CA ARG A 29 -5.266 0.858 -5.850 1.00 0.00 C ATOM 438 C ARG A 29 -4.811 2.105 -5.093 1.00 0.00 C ATOM 439 O ARG A 29 -5.377 2.449 -4.054 1.00 0.00 O ATOM 440 CB ARG A 29 -4.982 -0.404 -5.031 1.00 0.00 C ATOM 441 CG ARG A 29 -3.670 -0.357 -4.266 1.00 0.00 C ATOM 442 CD ARG A 29 -3.652 -1.373 -3.137 1.00 0.00 C ATOM 443 NE ARG A 29 -2.375 -1.383 -2.432 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.927 -0.368 -1.696 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.655 0.733 -1.564 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.753 -0.458 -1.090 1.00 0.00 N ATOM 0 H ARG A 29 -3.725 0.264 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.341 0.944 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.798 -0.559 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.971 -1.265 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.842 -0.553 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.519 0.643 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.453 -1.147 -2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.852 -2.366 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.791 -2.216 -2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.561 0.804 -2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.309 1.509 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.192 -1.305 -1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.409 0.319 -0.526 1.00 0.00 H new ATOM 460 N ILE A 30 -3.781 2.773 -5.611 1.00 0.00 N ATOM 461 CA ILE A 30 -3.256 3.981 -4.973 1.00 0.00 C ATOM 462 C ILE A 30 -4.335 5.061 -4.864 1.00 0.00 C ATOM 463 O ILE A 30 -5.082 5.294 -5.814 1.00 0.00 O ATOM 464 CB ILE A 30 -2.050 4.561 -5.744 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.872 3.581 -5.716 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.639 5.916 -5.172 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.264 3.389 -4.341 1.00 0.00 C ATOM 0 H ILE A 30 -3.295 2.501 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.930 3.686 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.349 4.710 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.207 2.614 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.099 3.938 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.788 6.304 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.474 6.613 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.362 5.800 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.563 2.682 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.104 4.345 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.021 3.002 -3.659 1.00 0.00 H new ATOM 479 N PRO A 31 -4.409 5.757 -3.713 1.00 0.00 N ATOM 480 CA PRO A 31 -5.378 6.837 -3.500 1.00 0.00 C ATOM 481 C PRO A 31 -5.345 7.871 -4.625 1.00 0.00 C ATOM 482 O PRO A 31 -4.341 8.554 -4.825 1.00 0.00 O ATOM 483 CB PRO A 31 -4.934 7.472 -2.172 1.00 0.00 C ATOM 484 CG PRO A 31 -3.573 6.920 -1.900 1.00 0.00 C ATOM 485 CD PRO A 31 -3.556 5.563 -2.532 1.00 0.00 C ATOM 0 HA PRO A 31 -6.402 6.465 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.909 8.559 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.626 7.223 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.799 7.560 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.383 6.856 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.547 5.254 -2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.953 4.798 -1.864 1.00 0.00 H new ATOM 493 N GLU A 32 -6.447 7.963 -5.365 1.00 0.00 N ATOM 494 CA GLU A 32 -6.561 8.897 -6.486 1.00 0.00 C ATOM 495 C GLU A 32 -6.363 10.352 -6.054 1.00 0.00 C ATOM 496 O GLU A 32 -6.441 11.262 -6.879 1.00 0.00 O ATOM 497 CB GLU A 32 -7.925 8.743 -7.159 1.00 0.00 C ATOM 498 CG GLU A 32 -7.899 7.854 -8.392 1.00 0.00 C ATOM 499 CD GLU A 32 -8.361 8.575 -9.643 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.461 9.168 -9.614 1.00 0.00 O ATOM 501 OE2 GLU A 32 -7.626 8.546 -10.651 1.00 0.00 O ATOM 0 H GLU A 32 -7.281 7.398 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.767 8.652 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.632 8.330 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.295 9.729 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.886 7.482 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.535 6.985 -8.222 1.00 0.00 H new ATOM 508 N GLY A 33 -6.111 10.571 -4.767 1.00 0.00 N ATOM 509 CA GLY A 33 -5.931 11.924 -4.270 1.00 0.00 C ATOM 510 C GLY A 33 -4.522 12.445 -4.477 1.00 0.00 C ATOM 511 O GLY A 33 -4.330 13.519 -5.049 1.00 0.00 O ATOM 0 H GLY A 33 -6.028 9.839 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.636 12.587 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.170 11.950 -3.207 1.00 0.00 H new ATOM 515 N THR A 34 -3.533 11.692 -4.008 1.00 0.00 N ATOM 516 CA THR A 34 -2.138 12.096 -4.138 1.00 0.00 C ATOM 517 C THR A 34 -1.355 11.104 -5.000 1.00 0.00 C ATOM 518 O THR A 34 -1.845 10.650 -6.034 1.00 0.00 O ATOM 519 CB THR A 34 -1.497 12.225 -2.754 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.484 12.483 -1.771 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.464 13.328 -2.669 1.00 0.00 C ATOM 0 H THR A 34 -3.671 10.799 -3.535 1.00 0.00 H new ATOM 0 HA THR A 34 -2.108 13.066 -4.634 1.00 0.00 H new ATOM 0 HB THR A 34 -0.998 11.272 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.051 13.226 -2.064 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.051 13.363 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.336 13.133 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.933 14.284 -2.902 1.00 0.00 H new ATOM 529 N GLU A 35 -0.138 10.773 -4.571 1.00 0.00 N ATOM 530 CA GLU A 35 0.709 9.847 -5.314 1.00 0.00 C ATOM 531 C GLU A 35 1.402 8.868 -4.375 1.00 0.00 C ATOM 532 O GLU A 35 1.385 9.041 -3.155 1.00 0.00 O ATOM 533 CB GLU A 35 1.755 10.621 -6.119 1.00 0.00 C ATOM 534 CG GLU A 35 2.579 11.582 -5.280 1.00 0.00 C ATOM 535 CD GLU A 35 3.043 12.793 -6.066 1.00 0.00 C ATOM 536 OE1 GLU A 35 4.015 12.661 -6.840 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.436 13.873 -5.905 1.00 0.00 O ATOM 0 H GLU A 35 0.281 11.133 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 35 0.075 9.281 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.424 9.912 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.253 11.180 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.987 11.913 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.448 11.058 -4.882 1.00 0.00 H new ATOM 544 N LEU A 36 2.018 7.844 -4.953 1.00 0.00 N ATOM 545 CA LEU A 36 2.712 6.827 -4.171 1.00 0.00 C ATOM 546 C LEU A 36 4.044 7.359 -3.640 1.00 0.00 C ATOM 547 O LEU A 36 4.412 8.504 -3.901 1.00 0.00 O ATOM 548 CB LEU A 36 2.954 5.577 -5.022 1.00 0.00 C ATOM 549 CG LEU A 36 3.359 5.845 -6.473 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.742 5.276 -6.754 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.335 5.257 -7.430 1.00 0.00 C ATOM 0 H LEU A 36 2.051 7.695 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 36 2.081 6.566 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.733 4.980 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.046 4.975 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 36 3.393 6.923 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.014 5.476 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.470 5.744 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.734 4.200 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.640 5.457 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.268 4.180 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.361 5.711 -7.245 1.00 0.00 H new ATOM 563 N HIS A 37 4.745 6.528 -2.873 1.00 0.00 N ATOM 564 CA HIS A 37 6.032 6.905 -2.295 1.00 0.00 C ATOM 565 C HIS A 37 7.078 5.827 -2.540 1.00 0.00 C ATOM 566 O HIS A 37 7.927 5.956 -3.422 1.00 0.00 O ATOM 567 CB HIS A 37 5.884 7.133 -0.793 1.00 0.00 C ATOM 568 CG HIS A 37 7.140 7.599 -0.126 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.501 8.926 -0.114 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.078 6.881 0.537 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.643 8.986 0.547 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.031 7.771 0.959 1.00 0.00 N ATOM 0 H HIS A 37 4.441 5.584 -2.636 1.00 0.00 H new ATOM 0 HA HIS A 37 6.360 7.826 -2.777 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.098 7.869 -0.622 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.558 6.204 -0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.075 5.814 0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.193 9.897 0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.876 7.551 1.487 1.00 0.00 H new ATOM 580 N LYS A 38 6.978 4.749 -1.768 1.00 0.00 N ATOM 581 CA LYS A 38 7.920 3.637 -1.857 1.00 0.00 C ATOM 582 C LYS A 38 7.326 2.385 -1.221 1.00 0.00 C ATOM 583 O LYS A 38 6.792 2.435 -0.112 1.00 0.00 O ATOM 584 CB LYS A 38 9.231 3.991 -1.149 1.00 0.00 C ATOM 585 CG LYS A 38 10.184 4.831 -1.985 1.00 0.00 C ATOM 586 CD LYS A 38 10.535 4.144 -3.297 1.00 0.00 C ATOM 587 CE LYS A 38 11.598 4.914 -4.063 1.00 0.00 C ATOM 588 NZ LYS A 38 11.753 4.409 -5.455 1.00 0.00 N ATOM 0 H LYS A 38 6.247 4.621 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 38 8.120 3.445 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.001 4.530 -0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.735 3.069 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.730 5.800 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.095 5.021 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.891 3.133 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.639 4.050 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.334 5.971 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.551 4.836 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.487 4.960 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.030 3.407 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.851 4.507 -5.962 1.00 0.00 H new ATOM 602 N ILE A 39 7.409 1.265 -1.933 1.00 0.00 N ATOM 603 CA ILE A 39 6.849 0.009 -1.448 1.00 0.00 C ATOM 604 C ILE A 39 7.889 -0.830 -0.705 1.00 0.00 C ATOM 605 O ILE A 39 9.093 -0.637 -0.873 1.00 0.00 O ATOM 606 CB ILE A 39 6.252 -0.815 -2.600 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.483 0.108 -3.555 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.346 -1.905 -2.046 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.559 -0.616 -4.510 1.00 0.00 C ATOM 0 H ILE A 39 7.858 1.202 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 39 6.056 0.271 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 39 7.057 -1.294 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.897 0.814 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.199 0.692 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.928 -2.484 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.924 -2.563 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.537 -1.450 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.055 0.109 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.139 -1.302 -5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.817 -1.178 -3.943 1.00 0.00 H new ATOM 621 N ASP A 40 7.408 -1.755 0.127 1.00 0.00 N ATOM 622 CA ASP A 40 8.283 -2.612 0.921 1.00 0.00 C ATOM 623 C ASP A 40 7.908 -4.083 0.773 1.00 0.00 C ATOM 624 O ASP A 40 6.817 -4.490 1.160 1.00 0.00 O ATOM 625 CB ASP A 40 8.185 -2.221 2.393 1.00 0.00 C ATOM 626 CG ASP A 40 9.541 -2.141 3.067 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.261 -1.147 2.838 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.882 -3.073 3.827 1.00 0.00 O ATOM 0 H ASP A 40 6.413 -1.928 0.267 1.00 0.00 H new ATOM 0 HA ASP A 40 9.302 -2.476 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.685 -1.256 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.565 -2.948 2.918 1.00 0.00 H new ATOM 633 N GLU A 41 8.836 -4.891 0.274 1.00 0.00 N ATOM 634 CA GLU A 41 8.587 -6.320 0.117 1.00 0.00 C ATOM 635 C GLU A 41 8.830 -7.059 1.432 1.00 0.00 C ATOM 636 O GLU A 41 9.855 -7.718 1.607 1.00 0.00 O ATOM 637 CB GLU A 41 9.483 -6.901 -0.981 1.00 0.00 C ATOM 638 CG GLU A 41 9.618 -6.000 -2.197 1.00 0.00 C ATOM 639 CD GLU A 41 11.046 -5.902 -2.696 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.791 -5.033 -2.197 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.420 -6.696 -3.586 1.00 0.00 O ATOM 0 H GLU A 41 9.761 -4.585 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 41 7.544 -6.453 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.474 -7.090 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.080 -7.864 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.983 -6.379 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.255 -5.003 -1.948 1.00 0.00 H new ATOM 648 N GLU A 42 7.888 -6.924 2.364 1.00 0.00 N ATOM 649 CA GLU A 42 7.989 -7.580 3.664 1.00 0.00 C ATOM 650 C GLU A 42 7.167 -8.864 3.682 1.00 0.00 C ATOM 651 O GLU A 42 6.030 -8.877 3.226 1.00 0.00 O ATOM 652 CB GLU A 42 7.510 -6.641 4.771 1.00 0.00 C ATOM 653 CG GLU A 42 8.630 -6.134 5.662 1.00 0.00 C ATOM 654 CD GLU A 42 8.199 -5.977 7.107 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.854 -6.997 7.738 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.206 -4.832 7.608 1.00 0.00 O ATOM 0 H GLU A 42 7.044 -6.364 2.241 1.00 0.00 H new ATOM 0 HA GLU A 42 9.035 -7.831 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.002 -5.789 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.775 -7.161 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.471 -6.825 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.983 -5.174 5.285 1.00 0.00 H new ATOM 663 N PRO A 43 7.728 -9.968 4.205 1.00 0.00 N ATOM 664 CA PRO A 43 7.040 -11.251 4.246 1.00 0.00 C ATOM 665 C PRO A 43 6.164 -11.411 5.478 1.00 0.00 C ATOM 666 O PRO A 43 6.362 -10.741 6.491 1.00 0.00 O ATOM 667 CB PRO A 43 8.185 -12.259 4.253 1.00 0.00 C ATOM 668 CG PRO A 43 9.355 -11.540 4.857 1.00 0.00 C ATOM 669 CD PRO A 43 9.079 -10.055 4.775 1.00 0.00 C ATOM 0 HA PRO A 43 6.352 -11.373 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.925 -13.143 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.413 -12.599 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.497 -11.845 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.272 -11.788 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.127 -9.587 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.810 -9.549 4.145 1.00 0.00 H new ATOM 677 N ILE A 44 5.174 -12.288 5.366 1.00 0.00 N ATOM 678 CA ILE A 44 4.221 -12.514 6.442 1.00 0.00 C ATOM 679 C ILE A 44 4.165 -13.988 6.830 1.00 0.00 C ATOM 680 O ILE A 44 4.812 -14.413 7.787 1.00 0.00 O ATOM 681 CB ILE A 44 2.813 -12.043 6.028 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.920 -10.863 5.054 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.992 -11.665 7.253 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.515 -9.613 5.672 1.00 0.00 C ATOM 0 H ILE A 44 5.011 -12.857 4.535 1.00 0.00 H new ATOM 0 HA ILE A 44 4.558 -11.937 7.303 1.00 0.00 H new ATOM 0 HB ILE A 44 2.302 -12.863 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.530 -11.162 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.927 -10.630 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.002 -11.335 6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.896 -12.531 7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.490 -10.858 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.559 -8.822 4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.893 -9.288 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.521 -9.828 6.031 1.00 0.00 H new ATOM 696 N ALA A 45 3.377 -14.759 6.087 1.00 0.00 N ATOM 697 CA ALA A 45 3.236 -16.188 6.346 1.00 0.00 C ATOM 698 C ALA A 45 4.534 -16.933 6.042 1.00 0.00 C ATOM 699 O ALA A 45 5.623 -16.363 6.125 1.00 0.00 O ATOM 700 CB ALA A 45 2.085 -16.758 5.532 1.00 0.00 C ATOM 0 H ALA A 45 2.826 -14.418 5.300 1.00 0.00 H new ATOM 0 HA ALA A 45 3.016 -16.323 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.990 -17.825 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.159 -16.253 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.280 -16.606 4.470 1.00 0.00 H new ATOM 706 N PHE A 46 4.413 -18.207 5.680 1.00 0.00 N ATOM 707 CA PHE A 46 5.577 -19.024 5.363 1.00 0.00 C ATOM 708 C PHE A 46 6.184 -18.604 4.028 1.00 0.00 C ATOM 709 O PHE A 46 7.388 -18.746 3.812 1.00 0.00 O ATOM 710 CB PHE A 46 5.190 -20.504 5.316 1.00 0.00 C ATOM 711 CG PHE A 46 5.056 -21.133 6.674 1.00 0.00 C ATOM 712 CD1 PHE A 46 6.181 -21.444 7.422 1.00 0.00 C ATOM 713 CD2 PHE A 46 3.806 -21.415 7.200 1.00 0.00 C ATOM 714 CE1 PHE A 46 6.060 -22.024 8.671 1.00 0.00 C ATOM 715 CE2 PHE A 46 3.679 -21.996 8.448 1.00 0.00 C ATOM 716 CZ PHE A 46 4.808 -22.301 9.184 1.00 0.00 C ATOM 0 H PHE A 46 3.521 -18.694 5.599 1.00 0.00 H new ATOM 0 HA PHE A 46 6.321 -18.875 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.245 -20.607 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.941 -21.050 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.162 -21.231 7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.921 -21.178 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.944 -22.260 9.245 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.699 -22.211 8.847 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.711 -22.755 10.159 1.00 0.00 H new ATOM 726 N GLY A 47 5.345 -18.075 3.142 1.00 0.00 N ATOM 727 CA GLY A 47 5.819 -17.642 1.840 1.00 0.00 C ATOM 728 C GLY A 47 4.995 -16.508 1.254 1.00 0.00 C ATOM 729 O GLY A 47 5.223 -16.095 0.118 1.00 0.00 O ATOM 0 H GLY A 47 4.347 -17.939 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.858 -17.322 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.802 -18.488 1.153 1.00 0.00 H new ATOM 733 N LEU A 48 4.030 -16.010 2.024 1.00 0.00 N ATOM 734 CA LEU A 48 3.179 -14.918 1.565 1.00 0.00 C ATOM 735 C LEU A 48 3.763 -13.569 1.973 1.00 0.00 C ATOM 736 O LEU A 48 3.638 -13.150 3.122 1.00 0.00 O ATOM 737 CB LEU A 48 1.760 -15.067 2.126 1.00 0.00 C ATOM 738 CG LEU A 48 1.227 -16.504 2.221 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.277 -16.498 2.449 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.571 -17.299 0.970 1.00 0.00 C ATOM 0 H LEU A 48 3.819 -16.344 2.964 1.00 0.00 H new ATOM 0 HA LEU A 48 3.132 -14.962 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.735 -14.624 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.080 -14.488 1.501 1.00 0.00 H new ATOM 0 HG LEU A 48 1.708 -16.987 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.639 -17.524 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.502 -15.974 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.769 -15.992 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.182 -18.313 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.125 -16.819 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.654 -17.336 0.849 1.00 0.00 H new ATOM 752 N VAL A 49 4.394 -12.894 1.018 1.00 0.00 N ATOM 753 CA VAL A 49 5.027 -11.609 1.281 1.00 0.00 C ATOM 754 C VAL A 49 4.103 -10.439 0.952 1.00 0.00 C ATOM 755 O VAL A 49 3.585 -10.333 -0.159 1.00 0.00 O ATOM 756 CB VAL A 49 6.331 -11.459 0.469 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.931 -10.071 0.650 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.331 -12.535 0.865 1.00 0.00 C ATOM 0 H VAL A 49 4.480 -13.217 0.054 1.00 0.00 H new ATOM 0 HA VAL A 49 5.252 -11.587 2.347 1.00 0.00 H new ATOM 0 HB VAL A 49 6.090 -11.584 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.849 -9.993 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.219 -9.320 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.155 -9.906 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.245 -12.415 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.562 -12.444 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.904 -13.519 0.670 1.00 0.00 H new ATOM 768 N ALA A 50 3.971 -9.521 1.906 1.00 0.00 N ATOM 769 CA ALA A 50 3.162 -8.323 1.721 1.00 0.00 C ATOM 770 C ALA A 50 4.031 -7.159 1.274 1.00 0.00 C ATOM 771 O ALA A 50 5.238 -7.145 1.509 1.00 0.00 O ATOM 772 CB ALA A 50 2.447 -7.953 3.008 1.00 0.00 C ATOM 0 H ALA A 50 4.418 -9.587 2.821 1.00 0.00 H new ATOM 0 HA ALA A 50 2.420 -8.535 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.849 -7.056 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.796 -8.773 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.181 -7.764 3.791 1.00 0.00 H new ATOM 778 N LEU A 51 3.410 -6.182 0.633 1.00 0.00 N ATOM 779 CA LEU A 51 4.129 -5.013 0.156 1.00 0.00 C ATOM 780 C LEU A 51 3.571 -3.745 0.788 1.00 0.00 C ATOM 781 O LEU A 51 2.384 -3.443 0.665 1.00 0.00 O ATOM 782 CB LEU A 51 4.058 -4.930 -1.373 1.00 0.00 C ATOM 783 CG LEU A 51 3.710 -6.244 -2.085 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.629 -6.033 -3.588 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.726 -7.329 -1.758 1.00 0.00 C ATOM 0 H LEU A 51 2.410 -6.176 0.431 1.00 0.00 H new ATOM 0 HA LEU A 51 5.175 -5.108 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.315 -4.180 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.019 -4.577 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 51 2.734 -6.571 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.381 -6.976 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.858 -5.296 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.590 -5.675 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.455 -8.249 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.717 -7.009 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.735 -7.507 -0.683 1.00 0.00 H new ATOM 797 N ASN A 52 4.440 -3.022 1.486 1.00 0.00 N ATOM 798 CA ASN A 52 4.051 -1.798 2.166 1.00 0.00 C ATOM 799 C ASN A 52 4.223 -0.606 1.242 1.00 0.00 C ATOM 800 O ASN A 52 5.292 0.000 1.177 1.00 0.00 O ATOM 801 CB ASN A 52 4.892 -1.610 3.430 1.00 0.00 C ATOM 802 CG ASN A 52 5.192 -2.923 4.130 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.267 -3.103 4.701 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.239 -3.848 4.089 1.00 0.00 N ATOM 0 H ASN A 52 5.424 -3.267 1.594 1.00 0.00 H new ATOM 0 HA ASN A 52 3.001 -1.872 2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.829 -1.119 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.366 -0.948 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.384 -4.750 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.362 -3.656 3.604 1.00 0.00 H new ATOM 811 N VAL A 53 3.149 -0.265 0.550 1.00 0.00 N ATOM 812 CA VAL A 53 3.165 0.835 -0.396 1.00 0.00 C ATOM 813 C VAL A 53 2.885 2.160 0.296 1.00 0.00 C ATOM 814 O VAL A 53 1.740 2.483 0.613 1.00 0.00 O ATOM 815 CB VAL A 53 2.127 0.628 -1.511 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.362 1.612 -2.646 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.161 -0.805 -2.015 1.00 0.00 C ATOM 0 H VAL A 53 2.249 -0.739 0.628 1.00 0.00 H new ATOM 0 HA VAL A 53 4.163 0.860 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 53 1.135 0.816 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.618 1.451 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.277 2.631 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.359 1.460 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.419 -0.931 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.152 -1.028 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.936 -1.485 -1.193 1.00 0.00 H new ATOM 827 N MET A 54 3.939 2.946 0.475 1.00 0.00 N ATOM 828 CA MET A 54 3.824 4.249 1.111 1.00 0.00 C ATOM 829 C MET A 54 3.419 5.299 0.089 1.00 0.00 C ATOM 830 O MET A 54 3.477 5.057 -1.115 1.00 0.00 O ATOM 831 CB MET A 54 5.157 4.638 1.756 1.00 0.00 C ATOM 832 CG MET A 54 5.579 3.710 2.884 1.00 0.00 C ATOM 833 SD MET A 54 7.343 3.339 2.855 1.00 0.00 S ATOM 834 CE MET A 54 7.340 1.655 3.459 1.00 0.00 C ATOM 0 H MET A 54 4.886 2.701 0.187 1.00 0.00 H new ATOM 0 HA MET A 54 3.057 4.194 1.884 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.934 4.644 0.991 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.082 5.655 2.142 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.323 4.167 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.015 2.780 2.814 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.354 1.366 3.735 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.692 1.583 4.332 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.972 0.989 2.678 1.00 0.00 H new ATOM 844 N VAL A 55 2.972 6.451 0.576 1.00 0.00 N ATOM 845 CA VAL A 55 2.531 7.527 -0.301 1.00 0.00 C ATOM 846 C VAL A 55 3.002 8.885 0.213 1.00 0.00 C ATOM 847 O VAL A 55 2.989 9.141 1.417 1.00 0.00 O ATOM 848 CB VAL A 55 0.993 7.534 -0.447 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.471 6.125 -0.667 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.330 8.164 0.769 1.00 0.00 C ATOM 0 H VAL A 55 2.906 6.663 1.572 1.00 0.00 H new ATOM 0 HA VAL A 55 2.976 7.347 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 55 0.741 8.138 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.614 6.151 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.910 5.712 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.742 5.500 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.752 8.155 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.593 7.596 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.674 9.192 0.879 1.00 0.00 H new ATOM 860 N VAL A 56 3.433 9.749 -0.702 1.00 0.00 N ATOM 861 CA VAL A 56 3.897 11.080 -0.326 1.00 0.00 C ATOM 862 C VAL A 56 2.757 12.090 -0.386 1.00 0.00 C ATOM 863 O VAL A 56 2.256 12.412 -1.464 1.00 0.00 O ATOM 864 CB VAL A 56 5.045 11.575 -1.231 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.108 12.283 -0.404 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.655 10.426 -2.019 1.00 0.00 C ATOM 0 H VAL A 56 3.470 9.553 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 56 4.269 10.998 0.695 1.00 0.00 H new ATOM 0 HB VAL A 56 4.630 12.287 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.910 12.625 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.664 13.139 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.513 11.593 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.461 10.804 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.052 9.682 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.890 9.968 -2.646 1.00 0.00 H new ATOM 876 N VAL A 57 2.354 12.592 0.777 1.00 0.00 N ATOM 877 CA VAL A 57 1.275 13.569 0.853 1.00 0.00 C ATOM 878 C VAL A 57 1.696 14.793 1.659 1.00 0.00 C ATOM 879 O VAL A 57 2.382 14.678 2.675 1.00 0.00 O ATOM 880 CB VAL A 57 0.003 12.967 1.481 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.558 11.865 0.596 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.286 12.444 2.881 1.00 0.00 C ATOM 0 H VAL A 57 2.758 12.338 1.678 1.00 0.00 H new ATOM 0 HA VAL A 57 1.054 13.868 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.745 13.756 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.456 11.451 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.807 12.276 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.186 11.077 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.627 12.024 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.053 11.671 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.635 13.262 3.511 1.00 0.00 H new ATOM 892 N GLY A 58 1.281 15.966 1.195 1.00 0.00 N ATOM 893 CA GLY A 58 1.616 17.198 1.881 1.00 0.00 C ATOM 894 C GLY A 58 0.741 18.353 1.444 1.00 0.00 C ATOM 895 O GLY A 58 -0.096 18.832 2.210 1.00 0.00 O ATOM 0 H GLY A 58 0.717 16.085 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.512 17.053 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.661 17.444 1.692 1.00 0.00 H new ATOM 899 N ASP A 59 0.934 18.802 0.209 1.00 0.00 N ATOM 900 CA ASP A 59 0.142 19.896 -0.339 1.00 0.00 C ATOM 901 C ASP A 59 -1.187 19.378 -0.871 1.00 0.00 C ATOM 902 O ASP A 59 -2.044 20.153 -1.298 1.00 0.00 O ATOM 903 CB ASP A 59 0.914 20.608 -1.453 1.00 0.00 C ATOM 904 CG ASP A 59 0.802 19.896 -2.787 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.586 18.954 -3.025 1.00 0.00 O ATOM 906 OD2 ASP A 59 -0.073 20.279 -3.592 1.00 0.00 O ATOM 0 H ASP A 59 1.632 18.425 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.057 20.610 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.539 21.626 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.965 20.682 -1.172 1.00 0.00 H new ATOM 911 N ALA A 60 -1.346 18.060 -0.843 1.00 0.00 N ATOM 912 CA ALA A 60 -2.565 17.419 -1.318 1.00 0.00 C ATOM 913 C ALA A 60 -3.755 17.759 -0.424 1.00 0.00 C ATOM 914 O ALA A 60 -3.782 18.808 0.220 1.00 0.00 O ATOM 915 CB ALA A 60 -2.363 15.915 -1.390 1.00 0.00 C ATOM 0 H ALA A 60 -0.641 17.411 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.785 17.797 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.278 15.442 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.547 15.690 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.119 15.533 -0.399 1.00 0.00 H new ATOM 921 N GLU A 61 -4.736 16.862 -0.387 1.00 0.00 N ATOM 922 CA GLU A 61 -5.931 17.068 0.422 1.00 0.00 C ATOM 923 C GLU A 61 -6.470 15.741 0.938 1.00 0.00 C ATOM 924 O GLU A 61 -5.773 14.726 0.916 1.00 0.00 O ATOM 925 CB GLU A 61 -7.010 17.781 -0.396 1.00 0.00 C ATOM 926 CG GLU A 61 -6.834 17.638 -1.900 1.00 0.00 C ATOM 927 CD GLU A 61 -7.870 18.419 -2.685 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.719 19.653 -2.801 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.831 17.797 -3.182 1.00 0.00 O ATOM 0 H GLU A 61 -4.726 15.985 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.659 17.690 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.986 17.386 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.008 18.840 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.838 17.980 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.897 16.584 -2.171 1.00 0.00 H new ATOM 936 N GLY A 62 -7.723 15.750 1.381 1.00 0.00 N ATOM 937 CA GLY A 62 -8.343 14.534 1.861 1.00 0.00 C ATOM 938 C GLY A 62 -8.854 13.682 0.719 1.00 0.00 C ATOM 939 O GLY A 62 -9.627 12.746 0.924 1.00 0.00 O ATOM 0 H GLY A 62 -8.318 16.578 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.622 13.964 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.169 14.784 2.527 1.00 0.00 H new ATOM 943 N GLY A 63 -8.408 14.011 -0.491 1.00 0.00 N ATOM 944 CA GLY A 63 -8.822 13.267 -1.665 1.00 0.00 C ATOM 945 C GLY A 63 -8.246 11.867 -1.689 1.00 0.00 C ATOM 946 O GLY A 63 -8.589 11.063 -2.556 1.00 0.00 O ATOM 0 H GLY A 63 -7.766 14.781 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.910 13.211 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.508 13.802 -2.561 1.00 0.00 H new ATOM 950 N THR A 64 -7.374 11.573 -0.730 1.00 0.00 N ATOM 951 CA THR A 64 -6.774 10.249 -0.633 1.00 0.00 C ATOM 952 C THR A 64 -7.790 9.257 -0.089 1.00 0.00 C ATOM 953 O THR A 64 -7.516 8.062 0.021 1.00 0.00 O ATOM 954 CB THR A 64 -5.533 10.277 0.261 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.889 10.091 1.620 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.749 11.568 0.162 1.00 0.00 C ATOM 0 H THR A 64 -7.069 12.231 -0.013 1.00 0.00 H new ATOM 0 HA THR A 64 -6.468 9.936 -1.631 1.00 0.00 H new ATOM 0 HB THR A 64 -4.903 9.463 -0.097 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.082 10.110 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.883 11.519 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.415 11.713 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.384 12.403 0.458 1.00 0.00 H new ATOM 964 N GLU A 65 -8.969 9.771 0.249 1.00 0.00 N ATOM 965 CA GLU A 65 -10.063 8.943 0.735 1.00 0.00 C ATOM 966 C GLU A 65 -10.367 7.840 -0.262 1.00 0.00 C ATOM 967 O GLU A 65 -10.905 6.790 0.091 1.00 0.00 O ATOM 968 CB GLU A 65 -11.309 9.798 0.945 1.00 0.00 C ATOM 969 CG GLU A 65 -11.695 10.618 -0.276 1.00 0.00 C ATOM 970 CD GLU A 65 -13.026 11.323 -0.106 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.966 10.698 0.430 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.130 12.501 -0.511 1.00 0.00 O ATOM 0 H GLU A 65 -9.190 10.765 0.194 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.768 8.495 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.143 9.150 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.141 10.471 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.919 11.357 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.742 9.965 -1.148 1.00 0.00 H new ATOM 979 N ALA A 66 -9.998 8.091 -1.510 1.00 0.00 N ATOM 980 CA ALA A 66 -10.226 7.138 -2.589 1.00 0.00 C ATOM 981 C ALA A 66 -9.591 5.794 -2.264 1.00 0.00 C ATOM 982 O ALA A 66 -10.087 4.750 -2.680 1.00 0.00 O ATOM 983 CB ALA A 66 -9.673 7.678 -3.899 1.00 0.00 C ATOM 0 H ALA A 66 -9.536 8.952 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.301 6.994 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.851 6.955 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.170 8.617 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.601 7.850 -3.798 1.00 0.00 H new ATOM 989 N ALA A 67 -8.525 5.823 -1.471 1.00 0.00 N ATOM 990 CA ALA A 67 -7.843 4.600 -1.073 1.00 0.00 C ATOM 991 C ALA A 67 -8.789 3.704 -0.288 1.00 0.00 C ATOM 992 O ALA A 67 -9.047 2.564 -0.677 1.00 0.00 O ATOM 993 CB ALA A 67 -6.608 4.924 -0.247 1.00 0.00 C ATOM 0 H ALA A 67 -8.117 6.678 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.525 4.070 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.110 3.998 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.925 5.534 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.902 5.472 0.648 1.00 0.00 H new ATOM 999 N GLU A 68 -9.338 4.243 0.797 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.289 3.505 1.616 1.00 0.00 C ATOM 1001 C GLU A 68 -11.491 3.078 0.780 1.00 0.00 C ATOM 1002 O GLU A 68 -12.077 2.021 1.011 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.752 4.360 2.796 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.662 4.621 3.823 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.146 4.432 5.248 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.207 4.993 5.594 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.463 3.724 6.017 1.00 0.00 O ATOM 0 H GLU A 68 -9.140 5.187 1.128 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.793 2.614 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.121 5.314 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.590 3.865 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.824 3.950 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.290 5.638 3.702 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.869 3.923 -0.177 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.982 3.620 -1.066 1.00 0.00 C ATOM 1016 C GLU A 69 -12.686 2.364 -1.874 1.00 0.00 C ATOM 1017 O GLU A 69 -13.488 1.431 -1.913 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.252 4.799 -2.004 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.654 5.374 -1.870 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.054 6.218 -3.064 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.575 5.648 -4.046 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -14.850 7.450 -3.016 1.00 0.00 O ATOM 0 H GLU A 69 -11.420 4.821 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.871 3.446 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.525 5.586 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.097 4.476 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.367 4.559 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.709 5.981 -0.966 1.00 0.00 H new ATOM 1029 N SER A 70 -11.526 2.355 -2.524 1.00 0.00 N ATOM 1030 CA SER A 70 -11.094 1.208 -3.308 1.00 0.00 C ATOM 1031 C SER A 70 -10.886 0.000 -2.406 1.00 0.00 C ATOM 1032 O SER A 70 -10.862 -1.136 -2.871 1.00 0.00 O ATOM 1033 CB SER A 70 -9.801 1.534 -4.057 1.00 0.00 C ATOM 1034 OG SER A 70 -8.663 1.195 -3.285 1.00 0.00 O ATOM 0 H SER A 70 -10.867 3.134 -2.521 1.00 0.00 H new ATOM 0 HA SER A 70 -11.871 0.973 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.778 0.991 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.776 2.596 -4.300 1.00 0.00 H new ATOM 0 HG SER A 70 -8.719 1.633 -2.410 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.760 0.260 -1.106 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.568 -0.800 -0.125 1.00 0.00 C ATOM 1042 C LEU A 71 -11.861 -1.580 0.072 1.00 0.00 C ATOM 1043 O LEU A 71 -11.844 -2.768 0.394 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.111 -0.206 1.210 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.719 -0.638 1.685 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.663 -2.148 1.867 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.649 -0.173 0.708 1.00 0.00 C ATOM 0 H LEU A 71 -10.788 1.199 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.800 -1.479 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.126 0.881 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.837 -0.478 1.976 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.524 -0.169 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.668 -2.437 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.401 -2.453 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.881 -2.637 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.669 -0.490 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.837 -0.610 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.673 0.914 0.632 1.00 0.00 H new ATOM 1059 N SER A 72 -12.983 -0.899 -0.140 1.00 0.00 N ATOM 1060 CA SER A 72 -14.296 -1.515 -0.009 1.00 0.00 C ATOM 1061 C SER A 72 -14.486 -2.612 -1.055 1.00 0.00 C ATOM 1062 O SER A 72 -15.414 -3.416 -0.967 1.00 0.00 O ATOM 1063 CB SER A 72 -15.387 -0.454 -0.156 1.00 0.00 C ATOM 1064 OG SER A 72 -16.341 -0.553 0.887 1.00 0.00 O ATOM 0 H SER A 72 -13.007 0.086 -0.405 1.00 0.00 H new ATOM 0 HA SER A 72 -14.368 -1.968 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.936 0.538 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.884 -0.570 -1.119 1.00 0.00 H new ATOM 0 HG SER A 72 -17.026 0.138 0.770 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.590 -2.637 -2.037 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.654 -3.636 -3.090 1.00 0.00 C ATOM 1072 C GLY A 73 -12.284 -3.949 -3.652 1.00 0.00 C ATOM 1073 O GLY A 73 -12.149 -4.364 -4.803 1.00 0.00 O ATOM 0 H GLY A 73 -12.816 -1.979 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.103 -4.549 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.302 -3.279 -3.890 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.267 -3.740 -2.828 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.883 -3.979 -3.221 1.00 0.00 C ATOM 1079 C ILE A 74 -9.587 -5.480 -3.290 1.00 0.00 C ATOM 1080 O ILE A 74 -10.508 -6.293 -3.354 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.916 -3.281 -2.232 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.606 -2.911 -2.928 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.653 -4.148 -1.008 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.092 -1.540 -2.548 1.00 0.00 C ATOM 0 H ILE A 74 -11.376 -3.401 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.731 -3.558 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.394 -2.363 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.849 -3.656 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.753 -2.950 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.971 -3.629 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.593 -4.344 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.206 -5.092 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.160 -1.341 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.831 -0.786 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.914 -1.503 -1.473 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.303 -5.835 -3.275 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.886 -7.234 -3.318 1.00 0.00 C ATOM 1098 C GLU A 75 -8.625 -8.056 -2.265 1.00 0.00 C ATOM 1099 O GLU A 75 -8.202 -8.130 -1.111 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.378 -7.326 -3.075 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.560 -7.538 -4.337 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.440 -6.279 -5.174 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.770 -5.327 -4.720 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -6.012 -6.246 -6.283 1.00 0.00 O ATOM 0 H GLU A 75 -7.531 -5.169 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.128 -7.637 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.043 -6.411 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.181 -8.146 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.563 -7.885 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.019 -8.325 -4.935 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.735 -8.669 -2.673 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.516 -9.480 -1.758 1.00 0.00 C ATOM 1113 C GLY A 76 -9.695 -10.597 -1.150 1.00 0.00 C ATOM 1114 O GLY A 76 -9.982 -11.063 -0.046 1.00 0.00 O ATOM 0 H GLY A 76 -10.106 -8.617 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.915 -8.849 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.370 -9.904 -2.287 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.663 -11.018 -1.871 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.774 -12.068 -1.398 1.00 0.00 C ATOM 1120 C VAL A 77 -6.626 -11.473 -0.597 1.00 0.00 C ATOM 1121 O VAL A 77 -6.236 -12.001 0.443 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.212 -12.895 -2.574 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.066 -12.171 -3.270 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.769 -14.270 -2.093 1.00 0.00 C ATOM 0 H VAL A 77 -8.422 -10.645 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.356 -12.729 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.011 -13.022 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.695 -12.783 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.421 -11.217 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.260 -11.995 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.375 -14.840 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.993 -14.158 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.621 -14.797 -1.664 1.00 0.00 H new ATOM 1134 N SER A 78 -6.122 -10.346 -1.076 1.00 0.00 N ATOM 1135 CA SER A 78 -5.020 -9.658 -0.429 1.00 0.00 C ATOM 1136 C SER A 78 -5.535 -8.549 0.474 1.00 0.00 C ATOM 1137 O SER A 78 -5.729 -7.417 0.029 1.00 0.00 O ATOM 1138 CB SER A 78 -4.073 -9.075 -1.484 1.00 0.00 C ATOM 1139 OG SER A 78 -4.146 -9.808 -2.695 1.00 0.00 O ATOM 0 H SER A 78 -6.464 -9.886 -1.920 1.00 0.00 H new ATOM 0 HA SER A 78 -4.476 -10.378 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.329 -8.032 -1.670 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.050 -9.090 -1.107 1.00 0.00 H new ATOM 0 HG SER A 78 -3.467 -9.477 -3.319 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.772 -8.877 1.740 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.218 -7.868 2.694 1.00 0.00 C ATOM 1147 C ASN A 79 -5.034 -7.044 3.127 1.00 0.00 C ATOM 1148 O ASN A 79 -3.954 -7.573 3.396 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.896 -8.470 3.923 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.908 -7.517 4.555 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -9.051 -7.902 4.801 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.506 -6.263 4.822 1.00 0.00 N ATOM 0 H ASN A 79 -5.665 -9.816 2.124 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.962 -7.250 2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.399 -9.395 3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.138 -8.732 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.156 -5.598 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.551 -5.976 4.605 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.237 -5.752 3.186 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.168 -4.845 3.507 1.00 0.00 C ATOM 1161 C ILE A 80 -4.218 -4.371 4.948 1.00 0.00 C ATOM 1162 O ILE A 80 -5.291 -4.143 5.508 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.229 -3.621 2.592 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.488 -4.041 1.145 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.949 -2.825 2.709 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.811 -2.883 0.225 1.00 0.00 C ATOM 0 H ILE A 80 -6.138 -5.305 3.015 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.238 -5.394 3.361 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.058 -2.987 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.610 -4.562 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.314 -4.752 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.000 -1.955 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.818 -2.496 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.104 -3.449 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.983 -3.257 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.707 -2.375 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.976 -2.182 0.215 1.00 0.00 H new ATOM 1178 N GLU A 81 -3.039 -4.165 5.517 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.917 -3.578 6.833 1.00 0.00 C ATOM 1180 C GLU A 81 -2.929 -2.077 6.642 1.00 0.00 C ATOM 1181 O GLU A 81 -1.892 -1.413 6.687 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.627 -4.029 7.522 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.549 -3.633 8.987 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.473 -4.832 9.914 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.251 -5.788 9.712 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -0.637 -4.814 10.840 1.00 0.00 O ATOM 0 H GLU A 81 -2.149 -4.400 5.079 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.739 -3.897 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.542 -5.113 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.774 -3.603 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.674 -3.002 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.423 -3.035 9.244 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.107 -1.579 6.298 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.291 -0.188 5.942 1.00 0.00 C ATOM 1195 C VAL A 82 -4.384 0.693 7.186 1.00 0.00 C ATOM 1196 O VAL A 82 -5.320 1.475 7.358 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.554 -0.041 5.064 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.783 1.411 4.672 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.431 -0.911 3.824 1.00 0.00 C ATOM 0 H VAL A 82 -4.962 -2.133 6.259 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.423 0.146 5.373 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.415 -0.371 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.678 1.484 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.911 2.015 5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.924 1.776 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.326 -0.800 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.558 -0.603 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.321 -1.954 4.121 1.00 0.00 H new ATOM 1209 N THR A 83 -3.412 0.525 8.073 1.00 0.00 N ATOM 1210 CA THR A 83 -3.342 1.312 9.293 1.00 0.00 C ATOM 1211 C THR A 83 -1.932 1.854 9.520 1.00 0.00 C ATOM 1212 O THR A 83 -1.632 2.375 10.594 1.00 0.00 O ATOM 1213 CB THR A 83 -3.774 0.467 10.492 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.820 -0.418 10.131 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.255 1.295 11.662 1.00 0.00 C ATOM 0 H THR A 83 -2.658 -0.154 7.968 1.00 0.00 H new ATOM 0 HA THR A 83 -4.020 2.158 9.186 1.00 0.00 H new ATOM 0 HB THR A 83 -2.883 -0.081 10.797 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.081 -0.951 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.546 0.635 12.479 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.453 1.954 11.996 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.113 1.894 11.356 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.041 1.655 8.547 1.00 0.00 N ATOM 1224 CA ASP A 84 0.333 2.104 8.687 1.00 0.00 C ATOM 1225 C ASP A 84 0.476 3.563 8.270 1.00 0.00 C ATOM 1226 O ASP A 84 -0.188 4.026 7.343 1.00 0.00 O ATOM 1227 CB ASP A 84 1.262 1.209 7.867 1.00 0.00 C ATOM 1228 CG ASP A 84 2.712 1.318 8.303 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.006 2.140 9.196 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.554 0.579 7.751 1.00 0.00 O ATOM 0 H ASP A 84 -1.250 1.190 7.664 1.00 0.00 H new ATOM 0 HA ASP A 84 0.616 2.032 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.936 0.173 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.182 1.477 6.813 1.00 0.00 H new ATOM 1235 N VAL A 85 1.352 4.280 8.964 1.00 0.00 N ATOM 1236 CA VAL A 85 1.583 5.693 8.685 1.00 0.00 C ATOM 1237 C VAL A 85 3.037 6.075 8.959 1.00 0.00 C ATOM 1238 O VAL A 85 3.773 5.330 9.608 1.00 0.00 O ATOM 1239 CB VAL A 85 0.648 6.588 9.524 1.00 0.00 C ATOM 1240 CG1 VAL A 85 1.182 6.758 10.940 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.456 7.939 8.851 1.00 0.00 C ATOM 0 H VAL A 85 1.916 3.905 9.727 1.00 0.00 H new ATOM 0 HA VAL A 85 1.367 5.853 7.629 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.323 6.098 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.504 7.393 11.511 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.256 5.782 11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.168 7.220 10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.206 8.557 9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.421 8.435 8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.015 7.795 7.864 1.00 0.00 H new ATOM 1251 N ARG A 86 3.442 7.236 8.455 1.00 0.00 N ATOM 1252 CA ARG A 86 4.809 7.713 8.624 1.00 0.00 C ATOM 1253 C ARG A 86 4.864 9.236 8.654 1.00 0.00 C ATOM 1254 O ARG A 86 4.902 9.885 7.608 1.00 0.00 O ATOM 1255 CB ARG A 86 5.690 7.192 7.489 1.00 0.00 C ATOM 1256 CG ARG A 86 6.191 5.777 7.712 1.00 0.00 C ATOM 1257 CD ARG A 86 7.663 5.651 7.358 1.00 0.00 C ATOM 1258 NE ARG A 86 7.991 4.326 6.838 1.00 0.00 N ATOM 1259 CZ ARG A 86 9.121 4.043 6.198 1.00 0.00 C ATOM 1260 NH1 ARG A 86 10.028 4.990 5.997 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.345 2.814 5.756 1.00 0.00 N ATOM 0 H ARG A 86 2.840 7.866 7.924 1.00 0.00 H new ATOM 0 HA ARG A 86 5.179 7.337 9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.126 7.227 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.545 7.857 7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.040 5.495 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.608 5.083 7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.923 6.406 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.267 5.853 8.243 1.00 0.00 H new ATOM 0 HE ARG A 86 7.314 3.575 6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.859 5.938 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.894 4.770 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.650 2.083 5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.213 2.599 5.265 1.00 0.00 H new ATOM 1275 N ARG A 87 4.861 9.802 9.854 1.00 0.00 N ATOM 1276 CA ARG A 87 4.932 11.250 10.016 1.00 0.00 C ATOM 1277 C ARG A 87 6.374 11.741 9.910 1.00 0.00 C ATOM 1278 O ARG A 87 7.076 11.842 10.916 1.00 0.00 O ATOM 1279 CB ARG A 87 4.339 11.662 11.365 1.00 0.00 C ATOM 1280 CG ARG A 87 2.849 11.952 11.307 1.00 0.00 C ATOM 1281 CD ARG A 87 2.578 13.408 10.969 1.00 0.00 C ATOM 1282 NE ARG A 87 1.172 13.642 10.652 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.347 14.343 11.426 1.00 0.00 C ATOM 1284 NH1 ARG A 87 0.787 14.877 12.558 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.919 14.511 11.068 1.00 0.00 N ATOM 0 H ARG A 87 4.810 9.281 10.730 1.00 0.00 H new ATOM 0 HA ARG A 87 4.352 11.709 9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.519 10.868 12.090 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.860 12.548 11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.381 11.311 10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.392 11.709 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.870 14.036 11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.195 13.705 10.121 1.00 0.00 H new ATOM 0 HE ARG A 87 0.801 13.246 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.760 14.751 12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.152 15.414 13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.262 14.103 10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.550 15.049 11.662 1.00 0.00 H new ATOM 1299 N LEU A 88 6.816 12.042 8.691 1.00 0.00 N ATOM 1300 CA LEU A 88 8.180 12.528 8.483 1.00 0.00 C ATOM 1301 C LEU A 88 8.271 14.019 8.768 1.00 0.00 C ATOM 1302 O LEU A 88 8.045 14.838 7.878 1.00 0.00 O ATOM 1303 CB LEU A 88 8.662 12.266 7.055 1.00 0.00 C ATOM 1304 CG LEU A 88 7.741 11.424 6.182 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.176 11.519 4.729 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.739 9.981 6.656 1.00 0.00 C ATOM 0 H LEU A 88 6.258 11.960 7.841 1.00 0.00 H new ATOM 0 HA LEU A 88 8.819 11.981 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.817 13.226 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.633 11.773 7.105 1.00 0.00 H new ATOM 0 HG LEU A 88 6.724 11.807 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.513 10.914 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.130 12.558 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.198 11.153 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.076 9.391 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.750 9.578 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.389 9.937 7.687 1.00 0.00 H new ATOM 1318 N MET A 89 8.622 14.362 10.003 1.00 0.00 N ATOM 1319 CA MET A 89 8.749 15.758 10.401 1.00 0.00 C ATOM 1320 C MET A 89 10.175 16.256 10.199 1.00 0.00 C ATOM 1321 O MET A 89 11.062 15.419 9.925 1.00 0.00 O ATOM 1322 CB MET A 89 8.340 15.930 11.863 1.00 0.00 C ATOM 1323 CG MET A 89 9.225 15.168 12.836 1.00 0.00 C ATOM 1324 SD MET A 89 8.282 14.146 13.984 1.00 0.00 S ATOM 1325 CE MET A 89 7.077 15.329 14.583 1.00 0.00 C ATOM 1326 OXT MET A 89 10.396 17.480 10.315 1.00 0.00 O ATOM 0 H MET A 89 8.823 13.692 10.745 1.00 0.00 H new ATOM 0 HA MET A 89 8.085 16.351 9.771 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.364 16.990 12.116 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.309 15.597 11.985 1.00 0.00 H new ATOM 0 HG2 MET A 89 9.914 14.536 12.275 1.00 0.00 H new ATOM 0 HG3 MET A 89 9.831 15.877 13.401 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.833 15.106 15.622 1.00 0.00 H new ATOM 0 HE2 MET A 89 7.490 16.335 14.515 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.173 15.266 13.977 1.00 0.00 H new TER 1336 MET A 89