USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 153:sc= -0.155 (180deg=-1.66) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0492 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 7:sc= -0.366 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0184 (180deg=-0.468) USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000788 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -45:sc= 0.701 USER MOD Single : A 30 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0985 K(o=-0.099,f=-1.5) USER MOD Single : A 49 ASN : amide:sc= -3.42! K(o=-3.4!,f=-2.7) USER MOD Single : A 51 SER OG : rot 180:sc= -0.17 USER MOD Single : A 56 THR OG1 : rot -89:sc= 0.0779 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 SER OG : rot 74:sc= 0.384 USER MOD Single : A 68 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 76:sc= -3.81! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.051 3.829 -0.708 1.00 0.00 N ATOM 2 CA MET A 1 -13.269 2.563 -0.658 1.00 0.00 C ATOM 3 C MET A 1 -12.197 2.690 0.421 1.00 0.00 C ATOM 4 O MET A 1 -11.606 3.758 0.585 1.00 0.00 O ATOM 5 CB MET A 1 -12.624 2.325 -2.027 1.00 0.00 C ATOM 6 CG MET A 1 -11.902 0.976 -2.033 1.00 0.00 C ATOM 7 SD MET A 1 -11.181 0.685 -3.671 1.00 0.00 S ATOM 8 CE MET A 1 -9.932 1.992 -3.629 1.00 0.00 C ATOM 0 H1 MET A 1 -14.196 4.108 -1.699 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.974 3.685 -0.250 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.530 4.579 -0.210 1.00 0.00 H new ATOM 0 HA MET A 1 -13.917 1.720 -0.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.386 2.343 -2.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.919 3.126 -2.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.121 0.966 -1.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.600 0.177 -1.784 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.095 1.716 -4.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.370 2.925 -3.984 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.577 2.123 -2.607 1.00 0.00 H new ATOM 20 N ARG A 2 -11.946 1.604 1.159 1.00 0.00 N ATOM 21 CA ARG A 2 -10.933 1.624 2.227 1.00 0.00 C ATOM 22 C ARG A 2 -9.901 0.517 2.009 1.00 0.00 C ATOM 23 O ARG A 2 -10.253 -0.628 1.723 1.00 0.00 O ATOM 24 CB ARG A 2 -11.617 1.435 3.583 1.00 0.00 C ATOM 25 CG ARG A 2 -12.531 2.631 3.867 1.00 0.00 C ATOM 26 CD ARG A 2 -13.218 2.443 5.221 1.00 0.00 C ATOM 27 NE ARG A 2 -14.066 3.591 5.522 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.587 3.762 6.732 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.841 4.205 7.707 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.845 3.488 6.947 1.00 0.00 N ATOM 0 H ARG A 2 -12.422 0.709 1.042 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.419 2.585 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.197 0.512 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.868 1.341 4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.950 3.553 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.278 2.726 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.817 1.533 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.468 2.321 6.003 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.262 4.274 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.858 4.420 7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.241 4.336 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.429 3.142 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.244 3.620 7.876 1.00 0.00 H new ATOM 44 N ILE A 3 -8.624 0.878 2.127 1.00 0.00 N ATOM 45 CA ILE A 3 -7.524 -0.072 1.923 1.00 0.00 C ATOM 46 C ILE A 3 -6.677 -0.204 3.187 1.00 0.00 C ATOM 47 O ILE A 3 -6.185 0.795 3.712 1.00 0.00 O ATOM 48 CB ILE A 3 -6.627 0.450 0.802 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.432 0.529 -0.497 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.436 -0.490 0.611 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.677 1.386 -1.513 1.00 0.00 C ATOM 0 H ILE A 3 -8.322 1.823 2.363 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.947 -1.045 1.672 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.260 1.442 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.594 -0.471 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.415 0.958 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.800 -0.113 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.862 -0.543 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.796 -1.485 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.250 1.443 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.538 2.389 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.704 0.938 -1.715 1.00 0.00 H new ATOM 63 N GLU A 4 -6.506 -1.433 3.672 1.00 0.00 N ATOM 64 CA GLU A 4 -5.706 -1.671 4.881 1.00 0.00 C ATOM 65 C GLU A 4 -4.580 -2.673 4.614 1.00 0.00 C ATOM 66 O GLU A 4 -4.813 -3.758 4.078 1.00 0.00 O ATOM 67 CB GLU A 4 -6.611 -2.188 6.000 1.00 0.00 C ATOM 68 CG GLU A 4 -7.692 -1.145 6.298 1.00 0.00 C ATOM 69 CD GLU A 4 -8.608 -1.639 7.411 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.635 -2.837 7.644 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.270 -0.812 8.017 1.00 0.00 O ATOM 0 H GLU A 4 -6.904 -2.274 3.254 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.251 -0.728 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.071 -3.131 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.023 -2.386 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.228 -0.203 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.275 -0.947 5.398 1.00 0.00 H new ATOM 78 N VAL A 5 -3.355 -2.287 4.982 1.00 0.00 N ATOM 79 CA VAL A 5 -2.179 -3.146 4.767 1.00 0.00 C ATOM 80 C VAL A 5 -1.493 -3.491 6.085 1.00 0.00 C ATOM 81 O VAL A 5 -1.282 -2.628 6.928 1.00 0.00 O ATOM 82 CB VAL A 5 -1.170 -2.441 3.859 1.00 0.00 C ATOM 83 CG1 VAL A 5 -0.079 -3.433 3.443 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.883 -1.901 2.615 1.00 0.00 C ATOM 0 H VAL A 5 -3.149 -1.393 5.427 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.528 -4.066 4.299 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.716 -1.609 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.641 -2.932 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.430 -3.807 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.531 -4.267 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.161 -1.399 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.342 -2.727 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.654 -1.192 2.917 1.00 0.00 H new ATOM 94 N THR A 6 -1.141 -4.766 6.252 1.00 0.00 N ATOM 95 CA THR A 6 -0.457 -5.225 7.467 1.00 0.00 C ATOM 96 C THR A 6 0.858 -5.885 7.105 1.00 0.00 C ATOM 97 O THR A 6 0.941 -6.683 6.172 1.00 0.00 O ATOM 98 CB THR A 6 -1.349 -6.198 8.235 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.924 -7.113 7.320 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.462 -5.425 8.954 1.00 0.00 C ATOM 0 H THR A 6 -1.316 -5.499 5.565 1.00 0.00 H new ATOM 0 HA THR A 6 -0.251 -4.365 8.105 1.00 0.00 H new ATOM 0 HB THR A 6 -0.754 -6.735 8.974 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.535 -6.975 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.096 -6.124 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.019 -4.715 9.652 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.063 -4.887 8.221 1.00 0.00 H new ATOM 108 N ILE A 7 1.881 -5.539 7.866 1.00 0.00 N ATOM 109 CA ILE A 7 3.219 -6.077 7.672 1.00 0.00 C ATOM 110 C ILE A 7 3.631 -6.889 8.894 1.00 0.00 C ATOM 111 O ILE A 7 3.458 -6.450 10.027 1.00 0.00 O ATOM 112 CB ILE A 7 4.179 -4.911 7.470 1.00 0.00 C ATOM 113 CG1 ILE A 7 3.926 -4.289 6.089 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.634 -5.404 7.565 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.706 -2.975 5.952 1.00 0.00 C ATOM 0 H ILE A 7 1.809 -4.876 8.638 1.00 0.00 H new ATOM 0 HA ILE A 7 3.240 -6.731 6.800 1.00 0.00 H new ATOM 0 HB ILE A 7 4.013 -4.163 8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.230 -4.985 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.860 -4.104 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.313 -4.564 7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.806 -5.843 8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.815 -6.154 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.520 -2.542 4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.381 -2.277 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.772 -3.171 6.066 1.00 0.00 H new ATOM 127 N ALA A 8 4.172 -8.076 8.663 1.00 0.00 N ATOM 128 CA ALA A 8 4.593 -8.925 9.767 1.00 0.00 C ATOM 129 C ALA A 8 5.734 -8.278 10.529 1.00 0.00 C ATOM 130 O ALA A 8 6.707 -7.781 9.961 1.00 0.00 O ATOM 131 CB ALA A 8 5.047 -10.277 9.223 1.00 0.00 C ATOM 0 H ALA A 8 4.328 -8.469 7.735 1.00 0.00 H new ATOM 0 HA ALA A 8 3.751 -9.063 10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.363 -10.914 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.221 -10.752 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.882 -10.132 8.537 1.00 0.00 H new ATOM 137 N LYS A 9 5.552 -8.276 11.840 1.00 0.00 N ATOM 138 CA LYS A 9 6.503 -7.677 12.756 1.00 0.00 C ATOM 139 C LYS A 9 7.872 -8.342 12.632 1.00 0.00 C ATOM 140 O LYS A 9 8.894 -7.731 12.944 1.00 0.00 O ATOM 141 CB LYS A 9 5.976 -7.731 14.194 1.00 0.00 C ATOM 142 CG LYS A 9 6.166 -9.133 14.796 1.00 0.00 C ATOM 143 CD LYS A 9 5.526 -9.178 16.187 1.00 0.00 C ATOM 144 CE LYS A 9 5.904 -10.491 16.879 1.00 0.00 C ATOM 145 NZ LYS A 9 5.500 -11.641 16.020 1.00 0.00 N ATOM 0 H LYS A 9 4.740 -8.690 12.297 1.00 0.00 H new ATOM 0 HA LYS A 9 6.626 -6.628 12.488 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.498 -6.995 14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.919 -7.465 14.208 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.711 -9.884 14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.227 -9.371 14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.864 -8.330 16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.442 -9.097 16.103 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.978 -10.521 17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.412 -10.558 17.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.485 -12.511 16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.552 -11.466 15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.181 -11.748 15.241 1.00 0.00 H new ATOM 159 N THR A 10 7.897 -9.582 12.144 1.00 0.00 N ATOM 160 CA THR A 10 9.157 -10.292 11.952 1.00 0.00 C ATOM 161 C THR A 10 10.018 -9.529 10.951 1.00 0.00 C ATOM 162 O THR A 10 11.201 -9.828 10.792 1.00 0.00 O ATOM 163 CB THR A 10 8.889 -11.703 11.419 1.00 0.00 C ATOM 164 OG1 THR A 10 7.949 -11.634 10.356 1.00 0.00 O ATOM 165 CG2 THR A 10 8.335 -12.585 12.540 1.00 0.00 C ATOM 0 H THR A 10 7.066 -10.110 11.877 1.00 0.00 H new ATOM 0 HA THR A 10 9.676 -10.364 12.908 1.00 0.00 H new ATOM 0 HB THR A 10 9.821 -12.135 11.054 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.777 -12.535 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.146 -13.587 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.060 -12.639 13.352 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.404 -12.158 12.912 1.00 0.00 H new ATOM 173 N SER A 11 9.425 -8.543 10.274 1.00 0.00 N ATOM 174 CA SER A 11 10.154 -7.742 9.280 1.00 0.00 C ATOM 175 C SER A 11 10.096 -6.253 9.628 1.00 0.00 C ATOM 176 O SER A 11 9.295 -5.511 9.061 1.00 0.00 O ATOM 177 CB SER A 11 9.533 -7.953 7.899 1.00 0.00 C ATOM 178 OG SER A 11 10.300 -7.253 6.929 1.00 0.00 O ATOM 0 H SER A 11 8.447 -8.279 10.393 1.00 0.00 H new ATOM 0 HA SER A 11 11.196 -8.064 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.504 -9.016 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.503 -7.596 7.892 1.00 0.00 H new ATOM 0 HG SER A 11 9.906 -7.387 6.042 1.00 0.00 H new ATOM 184 N PRO A 12 10.927 -5.800 10.536 1.00 0.00 N ATOM 185 CA PRO A 12 10.970 -4.373 10.952 1.00 0.00 C ATOM 186 C PRO A 12 11.596 -3.446 9.903 1.00 0.00 C ATOM 187 O PRO A 12 12.665 -3.735 9.364 1.00 0.00 O ATOM 188 CB PRO A 12 11.745 -4.359 12.287 1.00 0.00 C ATOM 189 CG PRO A 12 12.117 -5.794 12.576 1.00 0.00 C ATOM 190 CD PRO A 12 11.924 -6.585 11.274 1.00 0.00 C ATOM 0 HA PRO A 12 9.961 -3.977 11.065 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.635 -3.734 12.213 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.132 -3.947 13.088 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.150 -5.862 12.918 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.491 -6.201 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.857 -6.673 10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.572 -7.598 11.469 1.00 0.00 H new ATOM 198 N LEU A 13 10.934 -2.314 9.647 1.00 0.00 N ATOM 199 CA LEU A 13 11.434 -1.320 8.698 1.00 0.00 C ATOM 200 C LEU A 13 11.953 -0.109 9.496 1.00 0.00 C ATOM 201 O LEU A 13 11.447 0.165 10.584 1.00 0.00 O ATOM 202 CB LEU A 13 10.308 -0.893 7.746 1.00 0.00 C ATOM 203 CG LEU A 13 9.512 -2.123 7.272 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.458 -1.696 6.238 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.460 -3.151 6.631 1.00 0.00 C ATOM 0 H LEU A 13 10.048 -2.064 10.086 1.00 0.00 H new ATOM 0 HA LEU A 13 12.242 -1.741 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.642 -0.193 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.728 -0.370 6.887 1.00 0.00 H new ATOM 0 HG LEU A 13 9.019 -2.573 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.898 -2.571 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.774 -0.978 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.953 -1.236 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.887 -4.017 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.962 -2.699 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.203 -3.467 7.363 1.00 0.00 H new ATOM 217 N PRO A 14 12.958 0.595 9.020 1.00 0.00 N ATOM 218 CA PRO A 14 13.531 1.755 9.771 1.00 0.00 C ATOM 219 C PRO A 14 12.459 2.737 10.269 1.00 0.00 C ATOM 220 O PRO A 14 11.372 2.848 9.702 1.00 0.00 O ATOM 221 CB PRO A 14 14.523 2.428 8.796 1.00 0.00 C ATOM 222 CG PRO A 14 14.474 1.642 7.505 1.00 0.00 C ATOM 223 CD PRO A 14 13.658 0.361 7.750 1.00 0.00 C ATOM 0 HA PRO A 14 14.025 1.418 10.682 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.249 3.469 8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.531 2.428 9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.017 2.238 6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.482 1.393 7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.953 0.180 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.305 -0.514 7.811 1.00 0.00 H new ATOM 231 N ALA A 15 12.806 3.420 11.361 1.00 0.00 N ATOM 232 CA ALA A 15 11.932 4.394 12.022 1.00 0.00 C ATOM 233 C ALA A 15 11.496 5.535 11.095 1.00 0.00 C ATOM 234 O ALA A 15 11.620 6.707 11.452 1.00 0.00 O ATOM 235 CB ALA A 15 12.687 4.995 13.206 1.00 0.00 C ATOM 0 H ALA A 15 13.712 3.312 11.817 1.00 0.00 H new ATOM 0 HA ALA A 15 11.032 3.865 12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.052 5.723 13.711 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.958 4.203 13.905 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.591 5.488 12.849 1.00 0.00 H new ATOM 241 N GLY A 16 10.988 5.204 9.915 1.00 0.00 N ATOM 242 CA GLY A 16 10.547 6.230 8.972 1.00 0.00 C ATOM 243 C GLY A 16 9.922 5.596 7.742 1.00 0.00 C ATOM 244 O GLY A 16 9.250 6.257 6.951 1.00 0.00 O ATOM 0 H GLY A 16 10.871 4.245 9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.825 6.888 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.395 6.849 8.677 1.00 0.00 H new ATOM 248 N ALA A 17 10.204 4.314 7.571 1.00 0.00 N ATOM 249 CA ALA A 17 9.732 3.571 6.413 1.00 0.00 C ATOM 250 C ALA A 17 8.220 3.338 6.371 1.00 0.00 C ATOM 251 O ALA A 17 7.612 3.464 5.306 1.00 0.00 O ATOM 252 CB ALA A 17 10.500 2.250 6.291 1.00 0.00 C ATOM 0 H ALA A 17 10.761 3.763 8.224 1.00 0.00 H new ATOM 0 HA ALA A 17 9.936 4.202 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.141 1.699 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.564 2.457 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.342 1.653 7.189 1.00 0.00 H new ATOM 258 N ILE A 18 7.603 2.992 7.492 1.00 0.00 N ATOM 259 CA ILE A 18 6.165 2.747 7.480 1.00 0.00 C ATOM 260 C ILE A 18 5.422 3.997 7.031 1.00 0.00 C ATOM 261 O ILE A 18 4.575 3.944 6.139 1.00 0.00 O ATOM 262 CB ILE A 18 5.691 2.341 8.882 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.244 0.941 9.238 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.154 2.339 8.940 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.335 -0.174 8.695 1.00 0.00 C ATOM 0 H ILE A 18 8.058 2.877 8.398 1.00 0.00 H new ATOM 0 HA ILE A 18 5.954 1.938 6.780 1.00 0.00 H new ATOM 0 HB ILE A 18 6.065 3.063 9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.247 0.828 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.332 0.847 10.320 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.828 2.050 9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.780 3.337 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.763 1.629 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.751 -1.145 8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.339 -0.075 9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.269 -0.093 7.610 1.00 0.00 H new ATOM 277 N ASP A 19 5.750 5.123 7.652 1.00 0.00 N ATOM 278 CA ASP A 19 5.103 6.369 7.288 1.00 0.00 C ATOM 279 C ASP A 19 5.398 6.687 5.832 1.00 0.00 C ATOM 280 O ASP A 19 4.534 7.202 5.122 1.00 0.00 O ATOM 281 CB ASP A 19 5.526 7.519 8.205 1.00 0.00 C ATOM 282 CG ASP A 19 7.046 7.580 8.315 1.00 0.00 C ATOM 283 OD1 ASP A 19 7.634 6.578 8.686 1.00 0.00 O ATOM 284 OD2 ASP A 19 7.598 8.630 8.031 1.00 0.00 O ATOM 0 H ASP A 19 6.446 5.196 8.394 1.00 0.00 H new ATOM 0 HA ASP A 19 4.027 6.250 7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.145 8.463 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.089 7.384 9.194 1.00 0.00 H new ATOM 289 N ALA A 20 6.612 6.389 5.378 1.00 0.00 N ATOM 290 CA ALA A 20 6.956 6.672 3.993 1.00 0.00 C ATOM 291 C ALA A 20 6.163 5.782 3.032 1.00 0.00 C ATOM 292 O ALA A 20 5.665 6.250 2.008 1.00 0.00 O ATOM 293 CB ALA A 20 8.462 6.497 3.774 1.00 0.00 C ATOM 0 H ALA A 20 7.354 5.963 5.933 1.00 0.00 H new ATOM 0 HA ALA A 20 6.690 7.708 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.706 6.712 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.006 7.183 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.747 5.472 4.009 1.00 0.00 H new ATOM 299 N LEU A 21 6.037 4.500 3.376 1.00 0.00 N ATOM 300 CA LEU A 21 5.301 3.554 2.561 1.00 0.00 C ATOM 301 C LEU A 21 3.848 3.984 2.413 1.00 0.00 C ATOM 302 O LEU A 21 3.304 4.008 1.311 1.00 0.00 O ATOM 303 CB LEU A 21 5.421 2.163 3.210 1.00 0.00 C ATOM 304 CG LEU A 21 4.553 1.130 2.488 1.00 0.00 C ATOM 305 CD1 LEU A 21 5.066 0.882 1.064 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.593 -0.188 3.262 1.00 0.00 C ATOM 0 H LEU A 21 6.441 4.098 4.222 1.00 0.00 H new ATOM 0 HA LEU A 21 5.719 3.518 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.462 1.841 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.123 2.222 4.257 1.00 0.00 H new ATOM 0 HG LEU A 21 3.534 1.513 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.432 0.144 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.041 1.815 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.090 0.511 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.976 -0.928 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.621 -0.547 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.211 -0.030 4.270 1.00 0.00 H new ATOM 318 N ALA A 22 3.233 4.336 3.532 1.00 0.00 N ATOM 319 CA ALA A 22 1.847 4.775 3.520 1.00 0.00 C ATOM 320 C ALA A 22 1.708 6.009 2.642 1.00 0.00 C ATOM 321 O ALA A 22 0.730 6.137 1.903 1.00 0.00 O ATOM 322 CB ALA A 22 1.367 5.086 4.938 1.00 0.00 C ATOM 0 H ALA A 22 3.669 4.326 4.454 1.00 0.00 H new ATOM 0 HA ALA A 22 1.230 3.972 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.328 5.413 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.447 4.190 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.983 5.877 5.365 1.00 0.00 H new ATOM 328 N GLY A 23 2.680 6.900 2.692 1.00 0.00 N ATOM 329 CA GLY A 23 2.640 8.095 1.864 1.00 0.00 C ATOM 330 C GLY A 23 2.796 7.747 0.389 1.00 0.00 C ATOM 331 O GLY A 23 2.064 8.274 -0.448 1.00 0.00 O ATOM 0 H GLY A 23 3.502 6.822 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.696 8.617 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.435 8.777 2.166 1.00 0.00 H new ATOM 335 N GLU A 24 3.746 6.877 0.055 1.00 0.00 N ATOM 336 CA GLU A 24 3.943 6.521 -1.346 1.00 0.00 C ATOM 337 C GLU A 24 2.740 5.747 -1.887 1.00 0.00 C ATOM 338 O GLU A 24 2.319 5.963 -3.022 1.00 0.00 O ATOM 339 CB GLU A 24 5.237 5.707 -1.498 1.00 0.00 C ATOM 340 CG GLU A 24 5.565 5.520 -2.980 1.00 0.00 C ATOM 341 CD GLU A 24 5.900 6.865 -3.614 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.174 7.797 -2.874 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.882 6.945 -4.832 1.00 0.00 O ATOM 0 H GLU A 24 4.374 6.417 0.714 1.00 0.00 H new ATOM 0 HA GLU A 24 4.035 7.435 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.059 6.218 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.124 4.736 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.407 4.837 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.717 5.067 -3.494 1.00 0.00 H new ATOM 350 N LEU A 25 2.193 4.841 -1.081 1.00 0.00 N ATOM 351 CA LEU A 25 1.048 4.048 -1.525 1.00 0.00 C ATOM 352 C LEU A 25 -0.188 4.911 -1.779 1.00 0.00 C ATOM 353 O LEU A 25 -0.912 4.697 -2.748 1.00 0.00 O ATOM 354 CB LEU A 25 0.689 2.969 -0.496 1.00 0.00 C ATOM 355 CG LEU A 25 1.777 1.887 -0.427 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.447 0.942 0.733 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.837 1.077 -1.740 1.00 0.00 C ATOM 0 H LEU A 25 2.515 4.639 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 25 1.349 3.580 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.563 3.426 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.265 2.513 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 25 2.745 2.365 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.209 0.166 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.422 1.506 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.474 0.481 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.616 0.318 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.875 0.594 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.063 1.746 -2.570 1.00 0.00 H new ATOM 369 N SER A 26 -0.429 5.872 -0.902 1.00 0.00 N ATOM 370 CA SER A 26 -1.595 6.742 -1.043 1.00 0.00 C ATOM 371 C SER A 26 -1.534 7.562 -2.325 1.00 0.00 C ATOM 372 O SER A 26 -2.527 7.659 -3.047 1.00 0.00 O ATOM 373 CB SER A 26 -1.669 7.686 0.157 1.00 0.00 C ATOM 374 OG SER A 26 -0.539 8.549 0.144 1.00 0.00 O ATOM 0 H SER A 26 0.158 6.072 -0.092 1.00 0.00 H new ATOM 0 HA SER A 26 -2.483 6.111 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.588 8.270 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.694 7.113 1.084 1.00 0.00 H new ATOM 0 HG SER A 26 0.269 8.027 -0.046 1.00 0.00 H new ATOM 380 N ARG A 27 -0.381 8.156 -2.611 1.00 0.00 N ATOM 381 CA ARG A 27 -0.247 8.962 -3.819 1.00 0.00 C ATOM 382 C ARG A 27 -0.517 8.109 -5.058 1.00 0.00 C ATOM 383 O ARG A 27 -1.222 8.540 -5.967 1.00 0.00 O ATOM 384 CB ARG A 27 1.156 9.568 -3.895 1.00 0.00 C ATOM 385 CG ARG A 27 1.305 10.644 -2.814 1.00 0.00 C ATOM 386 CD ARG A 27 2.703 11.257 -2.890 1.00 0.00 C ATOM 387 NE ARG A 27 2.856 12.306 -1.882 1.00 0.00 N ATOM 388 CZ ARG A 27 2.522 13.568 -2.142 1.00 0.00 C ATOM 389 NH1 ARG A 27 2.860 14.112 -3.280 1.00 0.00 N ATOM 390 NH2 ARG A 27 1.858 14.264 -1.259 1.00 0.00 N ATOM 0 H ARG A 27 0.459 8.097 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.979 9.769 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.908 8.791 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.324 10.002 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.550 11.418 -2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.141 10.209 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.455 10.483 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.872 11.672 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 27 3.226 12.066 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.380 13.570 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.604 15.079 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.595 13.841 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.603 15.231 -1.459 1.00 0.00 H new ATOM 404 N ARG A 28 0.022 6.892 -5.083 1.00 0.00 N ATOM 405 CA ARG A 28 -0.193 5.994 -6.217 1.00 0.00 C ATOM 406 C ARG A 28 -1.674 5.680 -6.383 1.00 0.00 C ATOM 407 O ARG A 28 -2.191 5.619 -7.499 1.00 0.00 O ATOM 408 CB ARG A 28 0.608 4.708 -6.016 1.00 0.00 C ATOM 409 CG ARG A 28 2.098 5.044 -6.123 1.00 0.00 C ATOM 410 CD ARG A 28 2.940 3.781 -5.936 1.00 0.00 C ATOM 411 NE ARG A 28 2.933 2.990 -7.160 1.00 0.00 N ATOM 412 CZ ARG A 28 3.587 3.400 -8.244 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.199 4.553 -8.238 1.00 0.00 N ATOM 414 NH2 ARG A 28 3.617 2.653 -9.313 1.00 0.00 N ATOM 0 H ARG A 28 0.605 6.507 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 28 0.150 6.488 -7.126 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.387 4.272 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.331 3.968 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.309 5.489 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.366 5.784 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.963 4.052 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.545 3.190 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 28 2.419 2.109 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.176 5.138 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.701 4.868 -9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.138 1.752 -9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.119 2.970 -10.143 1.00 0.00 H new ATOM 428 N ILE A 29 -2.343 5.487 -5.258 1.00 0.00 N ATOM 429 CA ILE A 29 -3.769 5.181 -5.269 1.00 0.00 C ATOM 430 C ILE A 29 -4.580 6.358 -5.814 1.00 0.00 C ATOM 431 O ILE A 29 -5.499 6.173 -6.613 1.00 0.00 O ATOM 432 CB ILE A 29 -4.236 4.826 -3.848 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.623 3.471 -3.410 1.00 0.00 C ATOM 434 CG2 ILE A 29 -5.767 4.762 -3.797 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.391 2.265 -3.989 1.00 0.00 C ATOM 0 H ILE A 29 -1.926 5.536 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.933 4.327 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.897 5.600 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.583 3.425 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.623 3.410 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.087 4.510 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.181 5.730 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.123 4.000 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.922 1.340 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.425 2.293 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.369 2.308 -5.078 1.00 0.00 H new ATOM 447 N GLN A 30 -4.234 7.562 -5.380 1.00 0.00 N ATOM 448 CA GLN A 30 -4.937 8.763 -5.838 1.00 0.00 C ATOM 449 C GLN A 30 -4.794 8.943 -7.348 1.00 0.00 C ATOM 450 O GLN A 30 -5.770 9.298 -8.009 1.00 0.00 O ATOM 451 CB GLN A 30 -4.429 10.021 -5.111 1.00 0.00 C ATOM 452 CG GLN A 30 -4.942 10.064 -3.663 1.00 0.00 C ATOM 453 CD GLN A 30 -4.290 11.228 -2.923 1.00 0.00 C ATOM 454 OE1 GLN A 30 -3.256 11.735 -3.356 1.00 0.00 O ATOM 455 NE2 GLN A 30 -4.834 11.683 -1.828 1.00 0.00 N ATOM 0 H GLN A 30 -3.479 7.738 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.992 8.628 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.339 10.033 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.759 10.912 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.026 10.176 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.714 9.125 -3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.691 11.261 -1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.402 12.461 -1.329 1.00 0.00 H new ATOM 464 N TYR A 31 -3.614 8.699 -7.922 1.00 0.00 N ATOM 465 CA TYR A 31 -3.464 8.854 -9.366 1.00 0.00 C ATOM 466 C TYR A 31 -4.297 7.798 -10.102 1.00 0.00 C ATOM 467 O TYR A 31 -4.876 8.080 -11.152 1.00 0.00 O ATOM 468 CB TYR A 31 -1.988 8.757 -9.799 1.00 0.00 C ATOM 469 CG TYR A 31 -1.269 10.065 -9.513 1.00 0.00 C ATOM 470 CD1 TYR A 31 -1.526 11.200 -10.300 1.00 0.00 C ATOM 471 CD2 TYR A 31 -0.342 10.142 -8.467 1.00 0.00 C ATOM 472 CE1 TYR A 31 -0.861 12.403 -10.034 1.00 0.00 C ATOM 473 CE2 TYR A 31 0.322 11.346 -8.203 1.00 0.00 C ATOM 474 CZ TYR A 31 0.061 12.477 -8.986 1.00 0.00 C ATOM 475 OH TYR A 31 0.715 13.664 -8.724 1.00 0.00 O ATOM 0 H TYR A 31 -2.774 8.402 -7.426 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.825 9.848 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.499 7.941 -9.267 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.928 8.526 -10.863 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.237 11.145 -11.111 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.139 9.271 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.061 13.275 -10.639 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.036 11.402 -7.395 1.00 0.00 H new ATOM 0 HH TYR A 31 1.320 13.543 -7.963 1.00 0.00 H new ATOM 485 N ALA A 32 -4.342 6.584 -9.563 1.00 0.00 N ATOM 486 CA ALA A 32 -5.094 5.497 -10.196 1.00 0.00 C ATOM 487 C ALA A 32 -6.604 5.697 -10.087 1.00 0.00 C ATOM 488 O ALA A 32 -7.354 5.356 -11.002 1.00 0.00 O ATOM 489 CB ALA A 32 -4.723 4.167 -9.537 1.00 0.00 C ATOM 0 H ALA A 32 -3.872 6.325 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.830 5.493 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.283 3.359 -10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.655 3.987 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.967 4.206 -8.475 1.00 0.00 H new ATOM 495 N PHE A 33 -7.040 6.225 -8.945 1.00 0.00 N ATOM 496 CA PHE A 33 -8.466 6.449 -8.687 1.00 0.00 C ATOM 497 C PHE A 33 -8.749 7.931 -8.442 1.00 0.00 C ATOM 498 O PHE A 33 -8.758 8.384 -7.298 1.00 0.00 O ATOM 499 CB PHE A 33 -8.877 5.647 -7.453 1.00 0.00 C ATOM 500 CG PHE A 33 -8.743 4.171 -7.749 1.00 0.00 C ATOM 501 CD1 PHE A 33 -9.781 3.490 -8.395 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.580 3.487 -7.378 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.656 2.122 -8.669 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.455 2.119 -7.652 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.492 1.437 -8.298 1.00 0.00 C ATOM 0 H PHE A 33 -6.427 6.507 -8.180 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.036 6.128 -9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.250 5.918 -6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.905 5.883 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.678 4.019 -8.682 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.779 4.014 -6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.457 1.595 -9.166 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.558 1.591 -7.365 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.395 0.383 -8.511 1.00 0.00 H new ATOM 515 N PRO A 34 -8.972 8.693 -9.484 1.00 0.00 N ATOM 516 CA PRO A 34 -9.251 10.149 -9.358 1.00 0.00 C ATOM 517 C PRO A 34 -10.653 10.448 -8.813 1.00 0.00 C ATOM 518 O PRO A 34 -10.899 11.497 -8.216 1.00 0.00 O ATOM 519 CB PRO A 34 -9.119 10.697 -10.809 1.00 0.00 C ATOM 520 CG PRO A 34 -8.764 9.531 -11.696 1.00 0.00 C ATOM 521 CD PRO A 34 -8.979 8.249 -10.886 1.00 0.00 C ATOM 0 HA PRO A 34 -8.564 10.611 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.053 11.156 -11.133 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.350 11.468 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.387 9.527 -12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.729 9.604 -12.029 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.923 7.769 -11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.189 7.522 -11.076 1.00 0.00 H new ATOM 529 N ASP A 35 -11.574 9.527 -9.096 1.00 0.00 N ATOM 530 CA ASP A 35 -12.982 9.683 -8.717 1.00 0.00 C ATOM 531 C ASP A 35 -13.346 9.057 -7.363 1.00 0.00 C ATOM 532 O ASP A 35 -14.466 9.268 -6.897 1.00 0.00 O ATOM 533 CB ASP A 35 -13.850 9.044 -9.807 1.00 0.00 C ATOM 534 CG ASP A 35 -13.791 9.879 -11.086 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.461 11.050 -10.993 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.071 9.332 -12.140 1.00 0.00 O ATOM 0 H ASP A 35 -11.370 8.658 -9.590 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.162 10.753 -8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.504 8.030 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.881 8.966 -9.462 1.00 0.00 H new ATOM 541 N ASN A 36 -12.465 8.262 -6.742 1.00 0.00 N ATOM 542 CA ASN A 36 -12.819 7.606 -5.462 1.00 0.00 C ATOM 543 C ASN A 36 -11.815 7.882 -4.354 1.00 0.00 C ATOM 544 O ASN A 36 -10.614 7.711 -4.563 1.00 0.00 O ATOM 545 CB ASN A 36 -12.862 6.095 -5.688 1.00 0.00 C ATOM 546 CG ASN A 36 -13.932 5.758 -6.721 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.056 6.255 -6.635 1.00 0.00 O ATOM 548 ND2 ASN A 36 -13.653 4.936 -7.694 1.00 0.00 N ATOM 0 H ASN A 36 -11.527 8.057 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.782 8.009 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.889 5.741 -6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.076 5.583 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.366 4.704 -8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.722 4.525 -7.764 1.00 0.00 H new ATOM 555 N GLU A 37 -12.271 8.276 -3.175 1.00 0.00 N ATOM 556 CA GLU A 37 -11.367 8.528 -2.064 1.00 0.00 C ATOM 557 C GLU A 37 -10.677 7.236 -1.620 1.00 0.00 C ATOM 558 O GLU A 37 -11.339 6.270 -1.241 1.00 0.00 O ATOM 559 CB GLU A 37 -12.234 8.981 -0.873 1.00 0.00 C ATOM 560 CG GLU A 37 -13.033 10.259 -1.203 1.00 0.00 C ATOM 561 CD GLU A 37 -13.870 10.662 0.006 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.104 9.811 0.848 1.00 0.00 O ATOM 563 OE2 GLU A 37 -14.268 11.814 0.069 1.00 0.00 O ATOM 0 H GLU A 37 -13.257 8.428 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.622 9.263 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.923 8.182 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.597 9.163 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.352 11.067 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.679 10.085 -2.064 1.00 0.00 H new ATOM 570 N GLY A 38 -9.352 7.245 -1.620 1.00 0.00 N ATOM 571 CA GLY A 38 -8.602 6.070 -1.155 1.00 0.00 C ATOM 572 C GLY A 38 -7.899 6.335 0.167 1.00 0.00 C ATOM 573 O GLY A 38 -7.123 7.287 0.249 1.00 0.00 O ATOM 0 H GLY A 38 -8.778 8.030 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.282 5.226 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.866 5.787 -1.908 1.00 0.00 H new ATOM 577 N HIS A 39 -8.128 5.512 1.199 1.00 0.00 N ATOM 578 CA HIS A 39 -7.449 5.720 2.488 1.00 0.00 C ATOM 579 C HIS A 39 -6.554 4.515 2.740 1.00 0.00 C ATOM 580 O HIS A 39 -7.028 3.379 2.709 1.00 0.00 O ATOM 581 CB HIS A 39 -8.490 5.840 3.605 1.00 0.00 C ATOM 582 CG HIS A 39 -7.804 6.116 4.916 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.163 7.318 5.178 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.658 5.360 6.052 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.667 7.250 6.427 1.00 0.00 C ATOM 586 NE2 HIS A 39 -6.940 6.077 7.004 1.00 0.00 N ATOM 0 H HIS A 39 -8.762 4.714 1.171 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.857 6.635 2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.192 6.642 3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.070 4.920 3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.042 4.360 6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.116 8.047 6.904 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.678 5.772 7.942 1.00 0.00 H new ATOM 594 N VAL A 40 -5.260 4.744 2.948 1.00 0.00 N ATOM 595 CA VAL A 40 -4.321 3.647 3.151 1.00 0.00 C ATOM 596 C VAL A 40 -3.758 3.649 4.563 1.00 0.00 C ATOM 597 O VAL A 40 -3.269 4.672 5.043 1.00 0.00 O ATOM 598 CB VAL A 40 -3.183 3.793 2.143 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.209 2.624 2.294 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.769 3.807 0.723 1.00 0.00 C ATOM 0 H VAL A 40 -4.841 5.673 2.980 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.846 2.702 3.007 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.647 4.725 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.398 2.731 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.799 2.620 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.735 1.687 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.962 3.911 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.303 2.874 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.458 4.645 0.622 1.00 0.00 H new ATOM 610 N SER A 41 -3.812 2.488 5.213 1.00 0.00 N ATOM 611 CA SER A 41 -3.281 2.347 6.573 1.00 0.00 C ATOM 612 C SER A 41 -2.268 1.214 6.618 1.00 0.00 C ATOM 613 O SER A 41 -2.467 0.164 6.009 1.00 0.00 O ATOM 614 CB SER A 41 -4.411 2.098 7.569 1.00 0.00 C ATOM 615 OG SER A 41 -3.861 1.807 8.846 1.00 0.00 O ATOM 0 H SER A 41 -4.215 1.635 4.826 1.00 0.00 H new ATOM 0 HA SER A 41 -2.783 3.275 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.056 2.975 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.032 1.268 7.231 1.00 0.00 H new ATOM 0 HG SER A 41 -4.586 1.649 9.486 1.00 0.00 H new ATOM 621 N VAL A 42 -1.183 1.432 7.363 1.00 0.00 N ATOM 622 CA VAL A 42 -0.142 0.412 7.502 1.00 0.00 C ATOM 623 C VAL A 42 0.176 0.205 8.974 1.00 0.00 C ATOM 624 O VAL A 42 0.457 1.161 9.698 1.00 0.00 O ATOM 625 CB VAL A 42 1.133 0.820 6.754 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.188 -0.282 6.909 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.831 1.048 5.263 1.00 0.00 C ATOM 0 H VAL A 42 -1.003 2.296 7.874 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.512 -0.517 7.069 1.00 0.00 H new ATOM 0 HB VAL A 42 1.511 1.751 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.095 0.006 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.415 -0.422 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.805 -1.214 6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.746 1.337 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.442 0.128 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.090 1.841 5.159 1.00 0.00 H new ATOM 637 N ARG A 43 0.125 -1.055 9.417 1.00 0.00 N ATOM 638 CA ARG A 43 0.409 -1.370 10.816 1.00 0.00 C ATOM 639 C ARG A 43 1.068 -2.739 10.929 1.00 0.00 C ATOM 640 O ARG A 43 0.941 -3.574 10.033 1.00 0.00 O ATOM 641 CB ARG A 43 -0.887 -1.369 11.628 1.00 0.00 C ATOM 642 CG ARG A 43 -1.666 -0.085 11.350 1.00 0.00 C ATOM 643 CD ARG A 43 -2.858 0.003 12.303 1.00 0.00 C ATOM 644 NE ARG A 43 -3.738 -1.145 12.114 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.793 -1.338 12.898 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.109 -0.449 13.798 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.513 -2.418 12.764 1.00 0.00 N ATOM 0 H ARG A 43 -0.107 -1.861 8.836 1.00 0.00 H new ATOM 0 HA ARG A 43 1.086 -0.611 11.207 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.492 -2.237 11.367 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.661 -1.446 12.692 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.018 0.782 11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.011 -0.073 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.507 0.036 13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.409 0.926 12.124 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.540 -1.811 11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.546 0.395 13.900 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.919 -0.598 14.400 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.265 -3.112 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.323 -2.568 13.365 1.00 0.00 H new ATOM 661 N TYR A 44 1.748 -2.979 12.044 1.00 0.00 N ATOM 662 CA TYR A 44 2.389 -4.270 12.263 1.00 0.00 C ATOM 663 C TYR A 44 1.359 -5.252 12.809 1.00 0.00 C ATOM 664 O TYR A 44 0.529 -4.897 13.646 1.00 0.00 O ATOM 665 CB TYR A 44 3.548 -4.167 13.256 1.00 0.00 C ATOM 666 CG TYR A 44 4.702 -3.390 12.661 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.418 -3.913 11.578 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.071 -2.156 13.213 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.503 -3.203 11.047 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.151 -1.446 12.682 1.00 0.00 C ATOM 671 CZ TYR A 44 6.868 -1.968 11.600 1.00 0.00 C ATOM 672 OH TYR A 44 7.937 -1.267 11.080 1.00 0.00 O ATOM 0 H TYR A 44 1.869 -2.307 12.801 1.00 0.00 H new ATOM 0 HA TYR A 44 2.787 -4.614 11.308 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.208 -3.678 14.169 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.883 -5.166 13.535 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.134 -4.864 11.152 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.520 -1.753 14.050 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.057 -3.607 10.213 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.432 -0.494 13.107 1.00 0.00 H new ATOM 0 HH TYR A 44 8.054 -0.431 11.578 1.00 0.00 H new ATOM 682 N ALA A 45 1.425 -6.493 12.329 1.00 0.00 N ATOM 683 CA ALA A 45 0.508 -7.544 12.760 1.00 0.00 C ATOM 684 C ALA A 45 1.275 -8.854 12.874 1.00 0.00 C ATOM 685 O ALA A 45 2.408 -8.953 12.402 1.00 0.00 O ATOM 686 CB ALA A 45 -0.630 -7.698 11.752 1.00 0.00 C ATOM 0 H ALA A 45 2.110 -6.795 11.636 1.00 0.00 H new ATOM 0 HA ALA A 45 0.082 -7.279 13.728 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.307 -8.485 12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.177 -6.758 11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.219 -7.961 10.777 1.00 0.00 H new ATOM 692 N ALA A 46 0.673 -9.858 13.497 1.00 0.00 N ATOM 693 CA ALA A 46 1.356 -11.134 13.641 1.00 0.00 C ATOM 694 C ALA A 46 1.684 -11.702 12.265 1.00 0.00 C ATOM 695 O ALA A 46 2.621 -12.489 12.129 1.00 0.00 O ATOM 696 CB ALA A 46 0.513 -12.123 14.448 1.00 0.00 C ATOM 0 H ALA A 46 -0.263 -9.817 13.901 1.00 0.00 H new ATOM 0 HA ALA A 46 2.285 -10.970 14.188 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.049 -13.068 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.325 -11.715 15.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.436 -12.292 13.939 1.00 0.00 H new ATOM 702 N ALA A 47 0.899 -11.338 11.241 1.00 0.00 N ATOM 703 CA ALA A 47 1.132 -11.875 9.894 1.00 0.00 C ATOM 704 C ALA A 47 0.934 -10.834 8.795 1.00 0.00 C ATOM 705 O ALA A 47 0.133 -9.909 8.936 1.00 0.00 O ATOM 706 CB ALA A 47 0.195 -13.055 9.638 1.00 0.00 C ATOM 0 H ALA A 47 0.115 -10.690 11.316 1.00 0.00 H new ATOM 0 HA ALA A 47 2.174 -12.193 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.372 -13.450 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.384 -13.836 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.840 -12.722 9.719 1.00 0.00 H new ATOM 712 N ASN A 48 1.624 -11.034 7.675 1.00 0.00 N ATOM 713 CA ASN A 48 1.471 -10.154 6.522 1.00 0.00 C ATOM 714 C ASN A 48 0.094 -10.414 5.916 1.00 0.00 C ATOM 715 O ASN A 48 -0.232 -11.552 5.581 1.00 0.00 O ATOM 716 CB ASN A 48 2.558 -10.465 5.491 1.00 0.00 C ATOM 717 CG ASN A 48 2.542 -9.426 4.375 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.543 -8.224 4.640 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.531 -9.824 3.132 1.00 0.00 N ATOM 0 H ASN A 48 2.291 -11.794 7.542 1.00 0.00 H new ATOM 0 HA ASN A 48 1.564 -9.110 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.535 -10.475 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.399 -11.459 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.523 -9.138 2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.530 -10.821 2.916 1.00 0.00 H new ATOM 726 N ASN A 49 -0.715 -9.367 5.765 1.00 0.00 N ATOM 727 CA ASN A 49 -2.050 -9.514 5.187 1.00 0.00 C ATOM 728 C ASN A 49 -2.460 -8.231 4.469 1.00 0.00 C ATOM 729 O ASN A 49 -2.080 -7.132 4.874 1.00 0.00 O ATOM 730 CB ASN A 49 -3.066 -9.853 6.284 1.00 0.00 C ATOM 731 CG ASN A 49 -2.687 -11.171 6.945 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.564 -11.244 8.167 1.00 0.00 O ATOM 733 ND2 ASN A 49 -2.502 -12.227 6.202 1.00 0.00 N ATOM 0 H ASN A 49 -0.472 -8.413 6.033 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.029 -10.328 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.092 -9.056 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.066 -9.924 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.254 -13.117 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.605 -12.162 5.189 1.00 0.00 H new ATOM 740 N LEU A 50 -3.263 -8.379 3.415 1.00 0.00 N ATOM 741 CA LEU A 50 -3.763 -7.240 2.642 1.00 0.00 C ATOM 742 C LEU A 50 -5.281 -7.367 2.593 1.00 0.00 C ATOM 743 O LEU A 50 -5.798 -8.384 2.128 1.00 0.00 O ATOM 744 CB LEU A 50 -3.181 -7.286 1.223 1.00 0.00 C ATOM 745 CG LEU A 50 -3.694 -6.095 0.389 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.216 -4.772 0.995 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.180 -6.217 -1.057 1.00 0.00 C ATOM 0 H LEU A 50 -3.584 -9.285 3.074 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.471 -6.294 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.092 -7.263 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.459 -8.223 0.740 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.784 -6.108 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.587 -3.942 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.594 -4.681 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.126 -4.751 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.544 -5.374 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.090 -6.216 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.542 -7.147 -1.494 1.00 0.00 H new ATOM 759 N SER A 51 -6.003 -6.349 3.061 1.00 0.00 N ATOM 760 CA SER A 51 -7.470 -6.382 3.048 1.00 0.00 C ATOM 761 C SER A 51 -8.019 -5.165 2.296 1.00 0.00 C ATOM 762 O SER A 51 -7.628 -4.032 2.576 1.00 0.00 O ATOM 763 CB SER A 51 -7.978 -6.360 4.496 1.00 0.00 C ATOM 764 OG SER A 51 -7.129 -5.528 5.275 1.00 0.00 O ATOM 0 H SER A 51 -5.602 -5.496 3.452 1.00 0.00 H new ATOM 0 HA SER A 51 -7.808 -7.288 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.002 -5.988 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.992 -7.370 4.905 1.00 0.00 H new ATOM 0 HG SER A 51 -7.450 -5.509 6.201 1.00 0.00 H new ATOM 770 N VAL A 52 -8.947 -5.399 1.364 1.00 0.00 N ATOM 771 CA VAL A 52 -9.571 -4.310 0.608 1.00 0.00 C ATOM 772 C VAL A 52 -11.087 -4.389 0.771 1.00 0.00 C ATOM 773 O VAL A 52 -11.685 -5.436 0.518 1.00 0.00 O ATOM 774 CB VAL A 52 -9.203 -4.409 -0.873 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.840 -3.242 -1.627 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.682 -4.345 -1.026 1.00 0.00 C ATOM 0 H VAL A 52 -9.282 -6.330 1.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.209 -3.356 0.992 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.568 -5.352 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.581 -3.307 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.923 -3.285 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.470 -2.301 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.419 -4.416 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.315 -3.401 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.227 -5.173 -0.483 1.00 0.00 H new ATOM 786 N ILE A 53 -11.712 -3.287 1.198 1.00 0.00 N ATOM 787 CA ILE A 53 -13.168 -3.257 1.395 1.00 0.00 C ATOM 788 C ILE A 53 -13.811 -2.138 0.581 1.00 0.00 C ATOM 789 O ILE A 53 -13.378 -0.988 0.641 1.00 0.00 O ATOM 790 CB ILE A 53 -13.494 -3.050 2.876 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.872 -4.181 3.712 1.00 0.00 C ATOM 792 CG2 ILE A 53 -15.016 -3.059 3.068 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.942 -3.827 5.202 1.00 0.00 C ATOM 0 H ILE A 53 -11.238 -2.410 1.413 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.569 -4.212 1.057 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.085 -2.094 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.401 -5.116 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.835 -4.337 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.251 -2.912 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.461 -2.256 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.419 -4.016 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.500 -4.632 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.393 -2.903 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.983 -3.694 5.496 1.00 0.00 H new ATOM 805 N GLY A 54 -14.861 -2.479 -0.171 1.00 0.00 N ATOM 806 CA GLY A 54 -15.572 -1.489 -0.983 1.00 0.00 C ATOM 807 C GLY A 54 -15.035 -1.447 -2.409 1.00 0.00 C ATOM 808 O GLY A 54 -15.282 -0.485 -3.137 1.00 0.00 O ATOM 0 H GLY A 54 -15.235 -3.426 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.636 -1.727 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.473 -0.504 -0.527 1.00 0.00 H new ATOM 812 N ALA A 55 -14.278 -2.476 -2.798 1.00 0.00 N ATOM 813 CA ALA A 55 -13.685 -2.522 -4.142 1.00 0.00 C ATOM 814 C ALA A 55 -14.108 -3.775 -4.906 1.00 0.00 C ATOM 815 O ALA A 55 -14.531 -4.777 -4.328 1.00 0.00 O ATOM 816 CB ALA A 55 -12.157 -2.472 -4.029 1.00 0.00 C ATOM 0 H ALA A 55 -14.061 -3.281 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.046 -1.658 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.717 -2.506 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.859 -1.549 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.807 -3.326 -3.449 1.00 0.00 H new ATOM 822 N THR A 56 -13.932 -3.693 -6.224 1.00 0.00 N ATOM 823 CA THR A 56 -14.215 -4.770 -7.165 1.00 0.00 C ATOM 824 C THR A 56 -12.967 -5.622 -7.368 1.00 0.00 C ATOM 825 O THR A 56 -11.850 -5.187 -7.089 1.00 0.00 O ATOM 826 CB THR A 56 -14.604 -4.150 -8.510 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.538 -3.337 -8.978 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.864 -3.298 -8.341 1.00 0.00 C ATOM 0 H THR A 56 -13.578 -2.850 -6.677 1.00 0.00 H new ATOM 0 HA THR A 56 -15.021 -5.392 -6.776 1.00 0.00 H new ATOM 0 HB THR A 56 -14.803 -4.943 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.650 -2.424 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.137 -2.859 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.681 -3.924 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.672 -2.504 -7.620 1.00 0.00 H new ATOM 836 N LYS A 57 -13.178 -6.858 -7.822 1.00 0.00 N ATOM 837 CA LYS A 57 -12.081 -7.804 -8.024 1.00 0.00 C ATOM 838 C LYS A 57 -11.020 -7.254 -8.978 1.00 0.00 C ATOM 839 O LYS A 57 -9.827 -7.432 -8.732 1.00 0.00 O ATOM 840 CB LYS A 57 -12.646 -9.115 -8.604 1.00 0.00 C ATOM 841 CG LYS A 57 -13.673 -9.753 -7.648 1.00 0.00 C ATOM 842 CD LYS A 57 -14.217 -11.041 -8.272 1.00 0.00 C ATOM 843 CE LYS A 57 -15.229 -11.681 -7.320 1.00 0.00 C ATOM 844 NZ LYS A 57 -15.822 -12.890 -7.959 1.00 0.00 N ATOM 0 H LYS A 57 -14.099 -7.227 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.607 -7.978 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.117 -8.916 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.831 -9.816 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.206 -9.970 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.489 -9.056 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.690 -10.822 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.400 -11.735 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.741 -11.954 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.014 -10.966 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.510 -13.324 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.302 -12.617 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.069 -13.574 -8.173 1.00 0.00 H new ATOM 858 N GLU A 58 -11.425 -6.576 -10.050 1.00 0.00 N ATOM 859 CA GLU A 58 -10.450 -6.013 -10.981 1.00 0.00 C ATOM 860 C GLU A 58 -9.653 -4.897 -10.319 1.00 0.00 C ATOM 861 O GLU A 58 -8.446 -4.778 -10.528 1.00 0.00 O ATOM 862 CB GLU A 58 -11.150 -5.486 -12.238 1.00 0.00 C ATOM 863 CG GLU A 58 -11.682 -6.661 -13.065 1.00 0.00 C ATOM 864 CD GLU A 58 -12.853 -7.323 -12.347 1.00 0.00 C ATOM 865 OE1 GLU A 58 -13.437 -6.679 -11.492 1.00 0.00 O ATOM 866 OE2 GLU A 58 -13.149 -8.463 -12.666 1.00 0.00 O ATOM 0 H GLU A 58 -12.401 -6.405 -10.293 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.761 -6.806 -11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.970 -4.825 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.453 -4.896 -12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.000 -6.310 -14.047 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.888 -7.389 -13.229 1.00 0.00 H new ATOM 873 N ASP A 59 -10.327 -4.088 -9.495 1.00 0.00 N ATOM 874 CA ASP A 59 -9.649 -3.005 -8.793 1.00 0.00 C ATOM 875 C ASP A 59 -8.610 -3.596 -7.851 1.00 0.00 C ATOM 876 O ASP A 59 -7.487 -3.104 -7.748 1.00 0.00 O ATOM 877 CB ASP A 59 -10.663 -2.177 -7.993 1.00 0.00 C ATOM 878 CG ASP A 59 -11.552 -1.380 -8.942 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.149 -1.188 -10.078 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.623 -0.977 -8.521 1.00 0.00 O ATOM 0 H ASP A 59 -11.326 -4.164 -9.303 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.161 -2.354 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.275 -2.834 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.140 -1.500 -7.318 1.00 0.00 H new ATOM 885 N LYS A 60 -9.016 -4.657 -7.165 1.00 0.00 N ATOM 886 CA LYS A 60 -8.133 -5.327 -6.221 1.00 0.00 C ATOM 887 C LYS A 60 -6.902 -5.911 -6.920 1.00 0.00 C ATOM 888 O LYS A 60 -5.797 -5.798 -6.390 1.00 0.00 O ATOM 889 CB LYS A 60 -8.882 -6.418 -5.449 1.00 0.00 C ATOM 890 CG LYS A 60 -7.954 -7.058 -4.410 1.00 0.00 C ATOM 891 CD LYS A 60 -8.717 -8.144 -3.649 1.00 0.00 C ATOM 892 CE LYS A 60 -7.787 -8.809 -2.635 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.580 -9.705 -1.749 1.00 0.00 N ATOM 0 H LYS A 60 -9.945 -5.070 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.788 -4.577 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.755 -5.991 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.247 -7.178 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.081 -7.488 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.589 -6.301 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.576 -7.709 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.103 -8.888 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.016 -9.380 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.277 -8.051 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.948 -10.158 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.300 -9.148 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.047 -10.436 -2.323 1.00 0.00 H new ATOM 907 N GLN A 61 -7.052 -6.510 -8.101 1.00 0.00 N ATOM 908 CA GLN A 61 -5.879 -7.048 -8.788 1.00 0.00 C ATOM 909 C GLN A 61 -4.948 -5.896 -9.147 1.00 0.00 C ATOM 910 O GLN A 61 -3.732 -6.007 -8.987 1.00 0.00 O ATOM 911 CB GLN A 61 -6.296 -7.803 -10.052 1.00 0.00 C ATOM 912 CG GLN A 61 -7.013 -9.097 -9.658 1.00 0.00 C ATOM 913 CD GLN A 61 -7.438 -9.858 -10.909 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.533 -9.275 -11.989 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.705 -11.133 -10.827 1.00 0.00 N ATOM 0 H GLN A 61 -7.940 -6.633 -8.588 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.364 -7.748 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.953 -7.181 -10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.420 -8.030 -10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.354 -9.718 -9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.886 -8.867 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.626 -11.614 -9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.993 -11.648 -11.659 1.00 0.00 H new ATOM 924 N ARG A 62 -5.512 -4.785 -9.641 1.00 0.00 N ATOM 925 CA ARG A 62 -4.688 -3.641 -10.012 1.00 0.00 C ATOM 926 C ARG A 62 -3.922 -3.140 -8.801 1.00 0.00 C ATOM 927 O ARG A 62 -2.722 -2.876 -8.876 1.00 0.00 O ATOM 928 CB ARG A 62 -5.536 -2.514 -10.606 1.00 0.00 C ATOM 929 CG ARG A 62 -4.641 -1.319 -10.954 1.00 0.00 C ATOM 930 CD ARG A 62 -5.466 -0.266 -11.688 1.00 0.00 C ATOM 931 NE ARG A 62 -5.903 -0.789 -12.977 1.00 0.00 N ATOM 932 CZ ARG A 62 -6.960 -0.284 -13.601 1.00 0.00 C ATOM 933 NH1 ARG A 62 -6.911 0.923 -14.091 1.00 0.00 N ATOM 934 NH2 ARG A 62 -8.045 -0.996 -13.720 1.00 0.00 N ATOM 0 H ARG A 62 -6.514 -4.661 -9.788 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.981 -3.965 -10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.051 -2.866 -11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.304 -2.210 -9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.213 -0.894 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.808 -1.644 -11.577 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.331 0.015 -11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.873 0.637 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.387 -1.557 -13.407 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.061 1.478 -13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.723 1.312 -14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.081 -1.939 -13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.858 -0.610 -14.199 1.00 0.00 H new ATOM 948 N ILE A 63 -4.618 -3.017 -7.684 1.00 0.00 N ATOM 949 CA ILE A 63 -3.969 -2.551 -6.472 1.00 0.00 C ATOM 950 C ILE A 63 -2.841 -3.500 -6.094 1.00 0.00 C ATOM 951 O ILE A 63 -1.745 -3.057 -5.752 1.00 0.00 O ATOM 952 CB ILE A 63 -4.981 -2.390 -5.341 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.880 -1.182 -5.631 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.260 -2.185 -4.005 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.074 -1.186 -4.673 1.00 0.00 C ATOM 0 H ILE A 63 -5.612 -3.228 -7.591 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.536 -1.567 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.587 -3.294 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.313 -0.258 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.229 -1.216 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.995 -2.072 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.629 -3.049 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.642 -1.289 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.711 -0.326 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.647 -2.103 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.716 -1.131 -3.645 1.00 0.00 H new ATOM 967 N SER A 64 -3.082 -4.799 -6.204 1.00 0.00 N ATOM 968 CA SER A 64 -2.025 -5.752 -5.917 1.00 0.00 C ATOM 969 C SER A 64 -0.879 -5.467 -6.883 1.00 0.00 C ATOM 970 O SER A 64 0.283 -5.481 -6.476 1.00 0.00 O ATOM 971 CB SER A 64 -2.537 -7.178 -6.117 1.00 0.00 C ATOM 972 OG SER A 64 -3.572 -7.443 -5.178 1.00 0.00 O ATOM 0 H SER A 64 -3.975 -5.207 -6.482 1.00 0.00 H new ATOM 0 HA SER A 64 -1.690 -5.655 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.912 -7.303 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.722 -7.890 -5.988 1.00 0.00 H new ATOM 0 HG SER A 64 -4.389 -6.975 -5.451 1.00 0.00 H new ATOM 978 N GLU A 65 -1.178 -5.197 -8.171 1.00 0.00 N ATOM 979 CA GLU A 65 -0.116 -4.910 -9.133 1.00 0.00 C ATOM 980 C GLU A 65 0.627 -3.636 -8.729 1.00 0.00 C ATOM 981 O GLU A 65 1.855 -3.590 -8.782 1.00 0.00 O ATOM 982 CB GLU A 65 -0.669 -4.778 -10.554 1.00 0.00 C ATOM 983 CG GLU A 65 -1.125 -6.149 -11.056 1.00 0.00 C ATOM 984 CD GLU A 65 -1.677 -6.027 -12.472 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.994 -4.918 -12.871 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.772 -7.043 -13.139 1.00 0.00 O ATOM 0 H GLU A 65 -2.123 -5.174 -8.553 1.00 0.00 H new ATOM 0 HA GLU A 65 0.582 -5.748 -9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.505 -4.078 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.096 -4.373 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.288 -6.848 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.889 -6.553 -10.392 1.00 0.00 H new ATOM 993 N ILE A 66 -0.111 -2.606 -8.327 1.00 0.00 N ATOM 994 CA ILE A 66 0.522 -1.352 -7.922 1.00 0.00 C ATOM 995 C ILE A 66 1.460 -1.584 -6.742 1.00 0.00 C ATOM 996 O ILE A 66 2.588 -1.092 -6.726 1.00 0.00 O ATOM 997 CB ILE A 66 -0.543 -0.309 -7.557 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.315 0.079 -8.824 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.134 0.941 -6.976 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.507 0.969 -8.458 1.00 0.00 C ATOM 0 H ILE A 66 -1.130 -2.611 -8.273 1.00 0.00 H new ATOM 0 HA ILE A 66 1.107 -0.975 -8.761 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.225 -0.727 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.656 0.605 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.664 -0.818 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.625 1.679 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.694 0.669 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.814 1.363 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.050 1.240 -9.363 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.172 0.428 -7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.149 1.873 -7.965 1.00 0.00 H new ATOM 1012 N LEU A 67 0.989 -2.337 -5.763 1.00 0.00 N ATOM 1013 CA LEU A 67 1.805 -2.618 -4.605 1.00 0.00 C ATOM 1014 C LEU A 67 3.067 -3.336 -5.048 1.00 0.00 C ATOM 1015 O LEU A 67 4.165 -3.023 -4.586 1.00 0.00 O ATOM 1016 CB LEU A 67 1.026 -3.484 -3.592 1.00 0.00 C ATOM 1017 CG LEU A 67 1.960 -4.090 -2.516 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.559 -2.989 -1.629 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.143 -5.047 -1.641 1.00 0.00 C ATOM 0 H LEU A 67 0.060 -2.757 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 67 2.071 -1.681 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.260 -2.878 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.511 -4.287 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 67 2.775 -4.618 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.211 -3.439 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.135 -2.299 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.756 -2.446 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.788 -5.482 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.332 -4.499 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.727 -5.841 -2.261 1.00 0.00 H new ATOM 1031 N GLN A 68 2.918 -4.285 -5.960 1.00 0.00 N ATOM 1032 CA GLN A 68 4.080 -4.999 -6.451 1.00 0.00 C ATOM 1033 C GLN A 68 5.060 -4.031 -7.120 1.00 0.00 C ATOM 1034 O GLN A 68 6.249 -4.043 -6.806 1.00 0.00 O ATOM 1035 CB GLN A 68 3.678 -6.116 -7.419 1.00 0.00 C ATOM 1036 CG GLN A 68 2.974 -7.235 -6.644 1.00 0.00 C ATOM 1037 CD GLN A 68 3.973 -7.945 -5.734 1.00 0.00 C ATOM 1038 OE1 GLN A 68 5.175 -7.933 -6.003 1.00 0.00 O ATOM 1039 NE2 GLN A 68 3.548 -8.562 -4.665 1.00 0.00 N ATOM 0 H GLN A 68 2.027 -4.571 -6.365 1.00 0.00 H new ATOM 0 HA GLN A 68 4.576 -5.461 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.017 -5.722 -8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.560 -6.509 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.159 -6.821 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.532 -7.948 -7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.552 -8.571 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.212 -9.035 -4.051 1.00 0.00 H new ATOM 1048 N GLU A 69 4.581 -3.208 -8.053 1.00 0.00 N ATOM 1049 CA GLU A 69 5.465 -2.274 -8.748 1.00 0.00 C ATOM 1050 C GLU A 69 6.136 -1.274 -7.803 1.00 0.00 C ATOM 1051 O GLU A 69 7.331 -1.004 -7.931 1.00 0.00 O ATOM 1052 CB GLU A 69 4.682 -1.517 -9.824 1.00 0.00 C ATOM 1053 CG GLU A 69 4.223 -2.498 -10.906 1.00 0.00 C ATOM 1054 CD GLU A 69 3.440 -1.758 -11.985 1.00 0.00 C ATOM 1055 OE1 GLU A 69 2.988 -0.659 -11.715 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.305 -2.303 -13.068 1.00 0.00 O ATOM 0 H GLU A 69 3.603 -3.169 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 69 6.257 -2.868 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.820 -1.020 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.306 -0.740 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.087 -2.994 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.601 -3.276 -10.463 1.00 0.00 H new ATOM 1063 N THR A 70 5.379 -0.723 -6.864 1.00 0.00 N ATOM 1064 CA THR A 70 5.941 0.245 -5.925 1.00 0.00 C ATOM 1065 C THR A 70 7.060 -0.397 -5.140 1.00 0.00 C ATOM 1066 O THR A 70 8.143 0.162 -4.964 1.00 0.00 O ATOM 1067 CB THR A 70 4.862 0.702 -4.952 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.791 1.295 -5.672 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.448 1.720 -3.973 1.00 0.00 C ATOM 0 H THR A 70 4.388 -0.924 -6.731 1.00 0.00 H new ATOM 0 HA THR A 70 6.323 1.099 -6.484 1.00 0.00 H new ATOM 0 HB THR A 70 4.491 -0.159 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.254 0.593 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.673 2.045 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.265 1.261 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.824 2.581 -4.525 1.00 0.00 H new ATOM 1077 N TRP A 71 6.747 -1.581 -4.658 1.00 0.00 N ATOM 1078 CA TRP A 71 7.656 -2.363 -3.857 1.00 0.00 C ATOM 1079 C TRP A 71 8.926 -2.670 -4.646 1.00 0.00 C ATOM 1080 O TRP A 71 10.022 -2.638 -4.087 1.00 0.00 O ATOM 1081 CB TRP A 71 6.881 -3.608 -3.421 1.00 0.00 C ATOM 1082 CG TRP A 71 7.661 -4.484 -2.484 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.818 -5.817 -2.653 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.342 -4.152 -1.225 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.581 -6.317 -1.616 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.926 -5.338 -0.711 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.528 -2.960 -0.487 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.659 -5.343 0.477 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.263 -2.968 0.710 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.828 -4.155 1.189 1.00 0.00 C ATOM 0 H TRP A 71 5.844 -2.030 -4.815 1.00 0.00 H new ATOM 0 HA TRP A 71 7.999 -1.831 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.954 -3.301 -2.937 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.604 -4.185 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.412 -6.397 -3.468 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.856 -7.295 -1.531 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.101 -2.035 -0.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.093 -6.262 0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.393 -2.051 1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.394 -4.152 2.109 1.00 0.00 H new ATOM 1101 N GLU A 72 8.796 -2.973 -5.928 1.00 0.00 N ATOM 1102 CA GLU A 72 9.954 -3.293 -6.764 1.00 0.00 C ATOM 1103 C GLU A 72 10.752 -2.042 -7.139 1.00 0.00 C ATOM 1104 O GLU A 72 11.896 -2.165 -7.576 1.00 0.00 O ATOM 1105 CB GLU A 72 9.506 -4.034 -8.023 1.00 0.00 C ATOM 1106 CG GLU A 72 9.009 -5.432 -7.644 1.00 0.00 C ATOM 1107 CD GLU A 72 8.531 -6.172 -8.890 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.394 -5.530 -9.920 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.306 -7.368 -8.798 1.00 0.00 O ATOM 0 H GLU A 72 7.902 -3.005 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 72 10.612 -3.938 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.713 -3.478 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.334 -4.110 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.810 -5.993 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.196 -5.355 -6.923 1.00 0.00 H new ATOM 1116 N SER A 73 10.171 -0.840 -6.996 1.00 0.00 N ATOM 1117 CA SER A 73 10.892 0.388 -7.367 1.00 0.00 C ATOM 1118 C SER A 73 11.312 1.172 -6.130 1.00 0.00 C ATOM 1119 O SER A 73 11.476 2.392 -6.176 1.00 0.00 O ATOM 1120 CB SER A 73 10.008 1.255 -8.268 1.00 0.00 C ATOM 1121 OG SER A 73 9.896 0.639 -9.545 1.00 0.00 O ATOM 0 H SER A 73 9.228 -0.693 -6.636 1.00 0.00 H new ATOM 0 HA SER A 73 11.795 0.107 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.021 1.376 -7.822 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.437 2.252 -8.368 1.00 0.00 H new ATOM 0 HG SER A 73 9.330 1.189 -10.125 1.00 0.00 H new ATOM 1127 N ALA A 74 11.419 0.465 -5.011 1.00 0.00 N ATOM 1128 CA ALA A 74 11.742 1.058 -3.718 1.00 0.00 C ATOM 1129 C ALA A 74 13.004 1.924 -3.669 1.00 0.00 C ATOM 1130 O ALA A 74 13.053 2.899 -2.930 1.00 0.00 O ATOM 1131 CB ALA A 74 11.908 -0.071 -2.700 1.00 0.00 C ATOM 0 H ALA A 74 11.283 -0.545 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 74 10.914 1.732 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.150 0.351 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.979 -0.637 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.713 -0.733 -3.019 1.00 0.00 H new ATOM 1137 N ASP A 75 14.021 1.563 -4.432 1.00 0.00 N ATOM 1138 CA ASP A 75 15.273 2.323 -4.420 1.00 0.00 C ATOM 1139 C ASP A 75 15.110 3.735 -4.996 1.00 0.00 C ATOM 1140 O ASP A 75 15.959 4.596 -4.765 1.00 0.00 O ATOM 1141 CB ASP A 75 16.337 1.573 -5.226 1.00 0.00 C ATOM 1142 CG ASP A 75 15.879 1.400 -6.670 1.00 0.00 C ATOM 1143 OD1 ASP A 75 14.747 1.752 -6.960 1.00 0.00 O ATOM 1144 OD2 ASP A 75 16.672 0.927 -7.468 1.00 0.00 O ATOM 0 H ASP A 75 14.013 0.761 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 75 15.578 2.424 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.278 2.122 -5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.524 0.598 -4.777 1.00 0.00 H new ATOM 1149 N ASP A 76 14.054 3.972 -5.771 1.00 0.00 N ATOM 1150 CA ASP A 76 13.848 5.287 -6.395 1.00 0.00 C ATOM 1151 C ASP A 76 12.968 6.223 -5.551 1.00 0.00 C ATOM 1152 O ASP A 76 13.285 7.405 -5.415 1.00 0.00 O ATOM 1153 CB ASP A 76 13.197 5.093 -7.765 1.00 0.00 C ATOM 1154 CG ASP A 76 14.194 4.461 -8.731 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.383 4.588 -8.491 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.752 3.852 -9.692 1.00 0.00 O ATOM 0 H ASP A 76 13.333 3.283 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 76 14.827 5.758 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.316 4.458 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.858 6.053 -8.155 1.00 0.00 H new ATOM 1161 N TRP A 77 11.852 5.728 -5.025 1.00 0.00 N ATOM 1162 CA TRP A 77 10.948 6.596 -4.253 1.00 0.00 C ATOM 1163 C TRP A 77 11.269 6.640 -2.759 1.00 0.00 C ATOM 1164 O TRP A 77 10.880 7.589 -2.081 1.00 0.00 O ATOM 1165 CB TRP A 77 9.486 6.170 -4.444 1.00 0.00 C ATOM 1166 CG TRP A 77 9.184 4.923 -3.652 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.135 3.663 -4.160 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.885 4.788 -2.215 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.811 2.783 -3.152 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.654 3.416 -1.942 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.786 5.698 -1.126 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.339 2.966 -0.664 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.472 5.233 0.152 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.248 3.878 0.382 1.00 0.00 C ATOM 0 H TRP A 77 11.551 4.757 -5.111 1.00 0.00 H new ATOM 0 HA TRP A 77 11.102 7.601 -4.646 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.823 6.976 -4.129 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.290 5.991 -5.501 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.321 3.395 -5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.700 1.778 -3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.954 6.752 -1.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.166 1.915 -0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.402 5.932 0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.003 3.534 1.376 1.00 0.00 H new ATOM 1185 N PHE A 78 11.995 5.656 -2.241 1.00 0.00 N ATOM 1186 CA PHE A 78 12.333 5.676 -0.812 1.00 0.00 C ATOM 1187 C PHE A 78 13.615 6.447 -0.567 1.00 0.00 C ATOM 1188 O PHE A 78 14.654 6.158 -1.160 1.00 0.00 O ATOM 1189 CB PHE A 78 12.482 4.258 -0.251 1.00 0.00 C ATOM 1190 CG PHE A 78 12.884 4.327 1.219 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.045 4.961 2.155 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.099 3.758 1.655 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.418 5.024 3.505 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.462 3.825 3.005 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.624 4.457 3.928 1.00 0.00 C ATOM 0 H PHE A 78 12.354 4.857 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 78 11.510 6.173 -0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.543 3.714 -0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.234 3.709 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.112 5.400 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.750 3.270 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.772 5.512 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.393 3.387 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.908 4.507 4.969 1.00 0.00 H new ATOM 1205 N VAL A 79 13.525 7.440 0.308 1.00 0.00 N ATOM 1206 CA VAL A 79 14.656 8.289 0.654 1.00 0.00 C ATOM 1207 C VAL A 79 14.904 8.158 2.153 1.00 0.00 C ATOM 1208 O VAL A 79 13.948 8.195 2.928 1.00 0.00 O ATOM 1209 CB VAL A 79 14.301 9.744 0.288 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.576 10.554 0.030 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.421 9.753 -0.974 1.00 0.00 C ATOM 0 H VAL A 79 12.663 7.679 0.799 1.00 0.00 H new ATOM 0 HA VAL A 79 15.556 7.996 0.113 1.00 0.00 H new ATOM 0 HB VAL A 79 13.759 10.196 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.310 11.579 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.195 10.554 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.131 10.106 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.169 10.781 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.964 9.292 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.506 9.192 -0.784 1.00 0.00 H new ATOM 1221 N SER A 80 16.157 7.998 2.584 1.00 0.00 N ATOM 1222 CA SER A 80 16.450 7.860 4.015 1.00 0.00 C ATOM 1223 C SER A 80 17.376 8.980 4.474 1.00 0.00 C ATOM 1224 O SER A 80 18.311 9.362 3.770 1.00 0.00 O ATOM 1225 CB SER A 80 17.128 6.503 4.270 1.00 0.00 C ATOM 1226 OG SER A 80 18.340 6.444 3.533 1.00 0.00 O ATOM 0 H SER A 80 16.974 7.961 1.975 1.00 0.00 H new ATOM 0 HA SER A 80 15.516 7.919 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.328 6.377 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.466 5.690 3.971 1.00 0.00 H new ATOM 0 HG SER A 80 18.778 5.582 3.692 1.00 0.00 H new ATOM 1232 N GLU A 81 17.100 9.502 5.663 1.00 0.00 N ATOM 1233 CA GLU A 81 17.900 10.584 6.222 1.00 0.00 C ATOM 1234 C GLU A 81 19.386 10.258 6.126 1.00 0.00 C ATOM 1235 O GLU A 81 19.798 9.276 6.720 1.00 0.00 O ATOM 1236 CB GLU A 81 17.508 10.810 7.685 1.00 0.00 C ATOM 1237 CG GLU A 81 18.189 12.072 8.221 1.00 0.00 C ATOM 1238 CD GLU A 81 17.615 13.308 7.537 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.524 13.212 7.000 1.00 0.00 O ATOM 1240 OE2 GLU A 81 18.277 14.332 7.559 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.092 10.997 5.458 1.00 0.00 O ATOM 0 H GLU A 81 16.330 9.194 6.257 1.00 0.00 H new ATOM 0 HA GLU A 81 17.709 11.492 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 81 16.426 10.907 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 81 17.798 9.948 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.044 12.143 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.264 12.017 8.047 1.00 0.00 H new TER 1248 GLU A 81