USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot -70:sc= 0.376 USER MOD Set 1.2: A 32 MET CE :methyl -119:sc= -1.2 (180deg=-2.22!) USER MOD Set 2.1: A 16 GLN : amide:sc= -5.11! C(o=-8.6!,f=-18!) USER MOD Set 2.2: A 60 CYS SG : rot 45:sc= -3.5! USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0442 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.119 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.873 X(o=-0.87,f=-0.59) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.229 USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= 0.909 (180deg=0.466) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.516 K(o=0.52,f=-0.27) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ -117:sc= 0.0161 (180deg=-0.429) USER MOD Single : A 65 SER OG : rot 165:sc= 1.22 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.7!) USER MOD Single : A 77 THR OG1 : rot 85:sc= 0.476 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0666) USER MOD Single : A 82 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0848 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.469 -9.054 25.924 1.00 0.00 N ATOM 2 CA GLY A 1 -13.338 -9.846 25.074 1.00 0.00 C ATOM 3 C GLY A 1 -12.833 -9.932 23.647 1.00 0.00 C ATOM 4 O GLY A 1 -11.641 -9.760 23.392 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.404 -9.497 26.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.521 -9.002 25.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.858 -8.094 26.020 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.426 -10.851 25.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.338 -9.412 25.077 1.00 0.00 H new ATOM 8 N SER A 2 -13.742 -10.200 22.715 1.00 0.00 N ATOM 9 CA SER A 2 -13.381 -10.314 21.307 1.00 0.00 C ATOM 10 C SER A 2 -14.385 -9.574 20.427 1.00 0.00 C ATOM 11 O SER A 2 -15.579 -9.542 20.722 1.00 0.00 O ATOM 12 CB SER A 2 -13.311 -11.785 20.894 1.00 0.00 C ATOM 13 OG SER A 2 -14.587 -12.397 20.966 1.00 0.00 O ATOM 0 H SER A 2 -14.733 -10.342 22.909 1.00 0.00 H new ATOM 0 HA SER A 2 -12.400 -9.859 21.171 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.924 -11.862 19.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.613 -12.315 21.542 1.00 0.00 H new ATOM 0 HG SER A 2 -14.515 -13.336 20.695 1.00 0.00 H new ATOM 19 N SER A 3 -13.890 -8.982 19.345 1.00 0.00 N ATOM 20 CA SER A 3 -14.741 -8.239 18.424 1.00 0.00 C ATOM 21 C SER A 3 -15.293 -9.155 17.335 1.00 0.00 C ATOM 22 O SER A 3 -14.610 -10.067 16.872 1.00 0.00 O ATOM 23 CB SER A 3 -13.959 -7.087 17.789 1.00 0.00 C ATOM 24 OG SER A 3 -14.806 -6.270 17.000 1.00 0.00 O ATOM 0 H SER A 3 -12.904 -9.003 19.085 1.00 0.00 H new ATOM 0 HA SER A 3 -15.578 -7.831 18.991 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.493 -6.486 18.570 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.155 -7.486 17.171 1.00 0.00 H new ATOM 0 HG SER A 3 -14.283 -5.540 16.607 1.00 0.00 H new ATOM 30 N GLY A 4 -16.535 -8.903 16.932 1.00 0.00 N ATOM 31 CA GLY A 4 -17.158 -9.713 15.902 1.00 0.00 C ATOM 32 C GLY A 4 -18.219 -8.953 15.130 1.00 0.00 C ATOM 33 O GLY A 4 -18.982 -8.179 15.709 1.00 0.00 O ATOM 0 H GLY A 4 -17.120 -8.153 17.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.393 -10.067 15.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.607 -10.595 16.359 1.00 0.00 H new ATOM 37 N SER A 5 -18.267 -9.173 13.820 1.00 0.00 N ATOM 38 CA SER A 5 -19.239 -8.499 12.967 1.00 0.00 C ATOM 39 C SER A 5 -19.837 -9.469 11.952 1.00 0.00 C ATOM 40 O SER A 5 -19.127 -10.287 11.367 1.00 0.00 O ATOM 41 CB SER A 5 -18.584 -7.323 12.241 1.00 0.00 C ATOM 42 OG SER A 5 -17.457 -7.749 11.494 1.00 0.00 O ATOM 0 H SER A 5 -17.644 -9.813 13.326 1.00 0.00 H new ATOM 0 HA SER A 5 -20.042 -8.123 13.601 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.309 -6.853 11.576 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.280 -6.568 12.966 1.00 0.00 H new ATOM 0 HG SER A 5 -17.057 -6.979 11.038 1.00 0.00 H new ATOM 48 N SER A 6 -21.146 -9.371 11.749 1.00 0.00 N ATOM 49 CA SER A 6 -21.841 -10.241 10.808 1.00 0.00 C ATOM 50 C SER A 6 -21.986 -9.566 9.448 1.00 0.00 C ATOM 51 O SER A 6 -22.492 -8.449 9.347 1.00 0.00 O ATOM 52 CB SER A 6 -23.221 -10.618 11.352 1.00 0.00 C ATOM 53 OG SER A 6 -23.976 -9.462 11.672 1.00 0.00 O ATOM 0 H SER A 6 -21.747 -8.698 12.224 1.00 0.00 H new ATOM 0 HA SER A 6 -21.247 -11.147 10.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.757 -11.213 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.108 -11.240 12.240 1.00 0.00 H new ATOM 0 HG SER A 6 -23.759 -8.744 11.041 1.00 0.00 H new ATOM 59 N GLY A 7 -21.536 -10.253 8.402 1.00 0.00 N ATOM 60 CA GLY A 7 -21.623 -9.705 7.061 1.00 0.00 C ATOM 61 C GLY A 7 -22.489 -10.547 6.145 1.00 0.00 C ATOM 62 O GLY A 7 -22.119 -10.813 5.002 1.00 0.00 O ATOM 0 H GLY A 7 -21.113 -11.179 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.028 -8.694 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.621 -9.627 6.638 1.00 0.00 H new ATOM 66 N SER A 8 -23.643 -10.971 6.649 1.00 0.00 N ATOM 67 CA SER A 8 -24.562 -11.793 5.870 1.00 0.00 C ATOM 68 C SER A 8 -24.607 -11.329 4.418 1.00 0.00 C ATOM 69 O SER A 8 -24.389 -12.116 3.496 1.00 0.00 O ATOM 70 CB SER A 8 -25.965 -11.744 6.478 1.00 0.00 C ATOM 71 OG SER A 8 -26.045 -12.548 7.642 1.00 0.00 O ATOM 0 H SER A 8 -23.964 -10.759 7.594 1.00 0.00 H new ATOM 0 HA SER A 8 -24.200 -12.821 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 8 -26.222 -10.714 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 8 -26.695 -12.087 5.745 1.00 0.00 H new ATOM 0 HG SER A 8 -26.951 -12.498 8.012 1.00 0.00 H new ATOM 77 N SER A 9 -24.893 -10.046 4.221 1.00 0.00 N ATOM 78 CA SER A 9 -24.972 -9.477 2.881 1.00 0.00 C ATOM 79 C SER A 9 -23.579 -9.288 2.289 1.00 0.00 C ATOM 80 O SER A 9 -22.661 -8.827 2.967 1.00 0.00 O ATOM 81 CB SER A 9 -25.710 -8.137 2.916 1.00 0.00 C ATOM 82 OG SER A 9 -26.213 -7.799 1.635 1.00 0.00 O ATOM 0 H SER A 9 -25.074 -9.381 4.973 1.00 0.00 H new ATOM 0 HA SER A 9 -25.525 -10.172 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 9 -26.531 -8.189 3.631 1.00 0.00 H new ATOM 0 HB3 SER A 9 -25.035 -7.355 3.263 1.00 0.00 H new ATOM 0 HG SER A 9 -26.682 -6.940 1.684 1.00 0.00 H new ATOM 88 N ALA A 10 -23.430 -9.648 1.018 1.00 0.00 N ATOM 89 CA ALA A 10 -22.150 -9.517 0.332 1.00 0.00 C ATOM 90 C ALA A 10 -22.348 -9.129 -1.129 1.00 0.00 C ATOM 91 O ALA A 10 -22.724 -9.959 -1.957 1.00 0.00 O ATOM 92 CB ALA A 10 -21.362 -10.815 0.433 1.00 0.00 C ATOM 0 H ALA A 10 -24.180 -10.032 0.443 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.584 -8.722 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.409 -10.703 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.181 -11.050 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.931 -11.623 -0.027 1.00 0.00 H new ATOM 98 N SER A 11 -22.093 -7.862 -1.439 1.00 0.00 N ATOM 99 CA SER A 11 -22.248 -7.362 -2.801 1.00 0.00 C ATOM 100 C SER A 11 -20.982 -6.648 -3.264 1.00 0.00 C ATOM 101 O SER A 11 -20.605 -5.610 -2.720 1.00 0.00 O ATOM 102 CB SER A 11 -23.443 -6.411 -2.885 1.00 0.00 C ATOM 103 OG SER A 11 -23.855 -6.227 -4.228 1.00 0.00 O ATOM 0 H SER A 11 -21.778 -7.163 -0.766 1.00 0.00 H new ATOM 0 HA SER A 11 -22.425 -8.214 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 11 -24.271 -6.810 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.177 -5.449 -2.448 1.00 0.00 H new ATOM 0 HG SER A 11 -24.621 -5.617 -4.254 1.00 0.00 H new ATOM 109 N PHE A 12 -20.328 -7.213 -4.274 1.00 0.00 N ATOM 110 CA PHE A 12 -19.103 -6.632 -4.812 1.00 0.00 C ATOM 111 C PHE A 12 -18.751 -7.256 -6.159 1.00 0.00 C ATOM 112 O PHE A 12 -19.421 -8.179 -6.624 1.00 0.00 O ATOM 113 CB PHE A 12 -17.947 -6.828 -3.829 1.00 0.00 C ATOM 114 CG PHE A 12 -17.903 -8.200 -3.221 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.511 -9.294 -3.974 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.253 -8.395 -1.894 1.00 0.00 C ATOM 117 CE1 PHE A 12 -17.471 -10.558 -3.417 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.214 -9.657 -1.331 1.00 0.00 C ATOM 119 CZ PHE A 12 -17.821 -10.740 -2.093 1.00 0.00 C ATOM 0 H PHE A 12 -20.626 -8.072 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.270 -5.565 -4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.006 -6.638 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.029 -6.089 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.233 -9.158 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.560 -7.552 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.166 -11.403 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.491 -9.796 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 12 -17.787 -11.727 -1.655 1.00 0.00 H new ATOM 129 N THR A 13 -17.695 -6.745 -6.784 1.00 0.00 N ATOM 130 CA THR A 13 -17.254 -7.249 -8.078 1.00 0.00 C ATOM 131 C THR A 13 -16.190 -8.329 -7.914 1.00 0.00 C ATOM 132 O THR A 13 -15.711 -8.581 -6.808 1.00 0.00 O ATOM 133 CB THR A 13 -16.690 -6.119 -8.959 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.562 -5.513 -8.317 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.752 -5.064 -9.231 1.00 0.00 C ATOM 0 H THR A 13 -17.129 -5.981 -6.414 1.00 0.00 H new ATOM 0 HA THR A 13 -18.130 -7.677 -8.565 1.00 0.00 H new ATOM 0 HB THR A 13 -16.377 -6.551 -9.910 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.208 -4.797 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.331 -4.276 -9.855 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.596 -5.522 -9.746 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.091 -4.637 -8.287 1.00 0.00 H new ATOM 143 N LYS A 14 -15.823 -8.964 -9.022 1.00 0.00 N ATOM 144 CA LYS A 14 -14.814 -10.016 -9.002 1.00 0.00 C ATOM 145 C LYS A 14 -13.461 -9.464 -8.566 1.00 0.00 C ATOM 146 O LYS A 14 -12.807 -10.022 -7.685 1.00 0.00 O ATOM 147 CB LYS A 14 -14.692 -10.660 -10.385 1.00 0.00 C ATOM 148 CG LYS A 14 -15.992 -11.258 -10.894 1.00 0.00 C ATOM 149 CD LYS A 14 -15.823 -11.864 -12.278 1.00 0.00 C ATOM 150 CE LYS A 14 -15.685 -10.788 -13.344 1.00 0.00 C ATOM 151 NZ LYS A 14 -15.535 -11.372 -14.705 1.00 0.00 N ATOM 0 H LYS A 14 -16.210 -8.768 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.127 -10.772 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.343 -9.911 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.933 -11.441 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.337 -12.024 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.761 -10.486 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.942 -12.505 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.681 -12.497 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.561 -10.140 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.821 -10.163 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.444 -10.607 -15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.685 -11.970 -14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.371 -11.948 -14.930 1.00 0.00 H new ATOM 165 N GLU A 15 -13.047 -8.364 -9.187 1.00 0.00 N ATOM 166 CA GLU A 15 -11.772 -7.737 -8.862 1.00 0.00 C ATOM 167 C GLU A 15 -11.579 -7.650 -7.350 1.00 0.00 C ATOM 168 O GLU A 15 -10.576 -8.122 -6.815 1.00 0.00 O ATOM 169 CB GLU A 15 -11.693 -6.338 -9.478 1.00 0.00 C ATOM 170 CG GLU A 15 -11.109 -6.324 -10.881 1.00 0.00 C ATOM 171 CD GLU A 15 -12.119 -6.730 -11.937 1.00 0.00 C ATOM 172 OE1 GLU A 15 -12.326 -7.947 -12.123 1.00 0.00 O ATOM 173 OE2 GLU A 15 -12.701 -5.830 -12.577 1.00 0.00 O ATOM 0 H GLU A 15 -13.576 -7.889 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.976 -8.355 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.693 -5.905 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.087 -5.700 -8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.736 -5.325 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.255 -7.000 -10.922 1.00 0.00 H new ATOM 180 N GLN A 16 -12.545 -7.042 -6.670 1.00 0.00 N ATOM 181 CA GLN A 16 -12.481 -6.892 -5.221 1.00 0.00 C ATOM 182 C GLN A 16 -12.282 -8.243 -4.542 1.00 0.00 C ATOM 183 O GLN A 16 -11.244 -8.494 -3.930 1.00 0.00 O ATOM 184 CB GLN A 16 -13.757 -6.229 -4.699 1.00 0.00 C ATOM 185 CG GLN A 16 -14.070 -4.900 -5.368 1.00 0.00 C ATOM 186 CD GLN A 16 -15.125 -4.106 -4.624 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.198 -4.622 -4.307 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.826 -2.844 -4.340 1.00 0.00 N ATOM 0 H GLN A 16 -13.381 -6.645 -7.099 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.627 -6.258 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.596 -6.908 -4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.661 -6.072 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.157 -4.308 -5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.410 -5.082 -6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.925 -2.458 -4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.497 -2.261 -3.840 1.00 0.00 H new ATOM 197 N ALA A 17 -13.283 -9.110 -4.655 1.00 0.00 N ATOM 198 CA ALA A 17 -13.216 -10.436 -4.054 1.00 0.00 C ATOM 199 C ALA A 17 -11.849 -11.074 -4.280 1.00 0.00 C ATOM 200 O ALA A 17 -11.214 -11.553 -3.340 1.00 0.00 O ATOM 201 CB ALA A 17 -14.315 -11.326 -4.616 1.00 0.00 C ATOM 0 H ALA A 17 -14.150 -8.918 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.364 -10.328 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.253 -12.313 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.288 -10.885 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.192 -11.418 -5.695 1.00 0.00 H new ATOM 207 N ASP A 18 -11.403 -11.077 -5.531 1.00 0.00 N ATOM 208 CA ASP A 18 -10.111 -11.655 -5.880 1.00 0.00 C ATOM 209 C ASP A 18 -8.997 -11.051 -5.031 1.00 0.00 C ATOM 210 O ASP A 18 -8.050 -11.739 -4.649 1.00 0.00 O ATOM 211 CB ASP A 18 -9.814 -11.435 -7.364 1.00 0.00 C ATOM 212 CG ASP A 18 -10.319 -12.572 -8.230 1.00 0.00 C ATOM 213 OD1 ASP A 18 -10.188 -13.741 -7.811 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.845 -12.293 -9.329 1.00 0.00 O ATOM 0 H ASP A 18 -11.917 -10.686 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.155 -12.726 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.274 -10.502 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.739 -11.325 -7.504 1.00 0.00 H new ATOM 219 N ALA A 19 -9.117 -9.760 -4.739 1.00 0.00 N ATOM 220 CA ALA A 19 -8.122 -9.063 -3.934 1.00 0.00 C ATOM 221 C ALA A 19 -8.070 -9.624 -2.517 1.00 0.00 C ATOM 222 O ALA A 19 -7.032 -10.117 -2.072 1.00 0.00 O ATOM 223 CB ALA A 19 -8.419 -7.571 -3.902 1.00 0.00 C ATOM 0 H ALA A 19 -9.894 -9.176 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.146 -9.218 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.668 -7.063 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.397 -7.174 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.406 -7.406 -3.469 1.00 0.00 H new ATOM 229 N ILE A 20 -9.194 -9.547 -1.813 1.00 0.00 N ATOM 230 CA ILE A 20 -9.276 -10.048 -0.447 1.00 0.00 C ATOM 231 C ILE A 20 -8.878 -11.519 -0.377 1.00 0.00 C ATOM 232 O ILE A 20 -8.304 -11.970 0.615 1.00 0.00 O ATOM 233 CB ILE A 20 -10.695 -9.884 0.129 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.077 -8.404 0.186 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.781 -10.512 1.512 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.793 -7.917 -1.055 1.00 0.00 C ATOM 0 H ILE A 20 -10.061 -9.142 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.581 -9.456 0.149 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.399 -10.397 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.715 -8.235 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.175 -7.810 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.790 -10.388 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.546 -11.574 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.069 -10.024 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.033 -6.860 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.149 -8.054 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.713 -8.486 -1.191 1.00 0.00 H new ATOM 248 N ARG A 21 -9.185 -12.261 -1.435 1.00 0.00 N ATOM 249 CA ARG A 21 -8.858 -13.680 -1.494 1.00 0.00 C ATOM 250 C ARG A 21 -7.348 -13.889 -1.555 1.00 0.00 C ATOM 251 O ARG A 21 -6.808 -14.785 -0.905 1.00 0.00 O ATOM 252 CB ARG A 21 -9.523 -14.329 -2.710 1.00 0.00 C ATOM 253 CG ARG A 21 -8.721 -15.475 -3.303 1.00 0.00 C ATOM 254 CD ARG A 21 -9.296 -15.925 -4.637 1.00 0.00 C ATOM 255 NE ARG A 21 -9.062 -17.345 -4.884 1.00 0.00 N ATOM 256 CZ ARG A 21 -9.781 -18.072 -5.732 1.00 0.00 C ATOM 257 NH1 ARG A 21 -10.773 -17.515 -6.412 1.00 0.00 N ATOM 258 NH2 ARG A 21 -9.506 -19.360 -5.901 1.00 0.00 N ATOM 0 H ARG A 21 -9.660 -11.903 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.236 -14.151 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.508 -14.697 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.678 -13.570 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.685 -15.164 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.714 -16.314 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.368 -15.726 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.849 -15.339 -5.440 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.305 -17.804 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.986 -16.526 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.323 -18.076 -7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.743 -19.791 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.058 -19.918 -6.552 1.00 0.00 H new ATOM 272 N ARG A 22 -6.672 -13.057 -2.340 1.00 0.00 N ATOM 273 CA ARG A 22 -5.225 -13.151 -2.488 1.00 0.00 C ATOM 274 C ARG A 22 -4.518 -12.700 -1.213 1.00 0.00 C ATOM 275 O ARG A 22 -3.563 -13.334 -0.763 1.00 0.00 O ATOM 276 CB ARG A 22 -4.755 -12.304 -3.672 1.00 0.00 C ATOM 277 CG ARG A 22 -4.796 -13.039 -5.001 1.00 0.00 C ATOM 278 CD ARG A 22 -5.004 -12.079 -6.163 1.00 0.00 C ATOM 279 NE ARG A 22 -5.092 -12.779 -7.442 1.00 0.00 N ATOM 280 CZ ARG A 22 -4.813 -12.212 -8.610 1.00 0.00 C ATOM 281 NH1 ARG A 22 -4.430 -10.944 -8.661 1.00 0.00 N ATOM 282 NH2 ARG A 22 -4.917 -12.914 -9.731 1.00 0.00 N ATOM 0 H ARG A 22 -7.104 -12.310 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.971 -14.195 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.378 -11.413 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.736 -11.967 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.865 -13.588 -5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.601 -13.774 -4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.916 -11.505 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.180 -11.366 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.384 -13.756 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.349 -10.401 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.216 -10.512 -9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.211 -13.890 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.703 -12.478 -10.628 1.00 0.00 H new ATOM 296 N ILE A 23 -4.993 -11.600 -0.637 1.00 0.00 N ATOM 297 CA ILE A 23 -4.407 -11.065 0.585 1.00 0.00 C ATOM 298 C ILE A 23 -4.459 -12.089 1.714 1.00 0.00 C ATOM 299 O ILE A 23 -3.448 -12.370 2.358 1.00 0.00 O ATOM 300 CB ILE A 23 -5.125 -9.780 1.038 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.009 -8.699 -0.037 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.548 -9.288 2.357 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.670 -7.393 0.345 1.00 0.00 C ATOM 0 H ILE A 23 -5.782 -11.063 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.367 -10.830 0.359 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.181 -10.005 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.955 -8.516 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.456 -9.067 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.066 -8.379 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.678 -10.055 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.486 -9.076 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.548 -6.673 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.732 -7.561 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.207 -7.002 1.251 1.00 0.00 H new ATOM 315 N ARG A 24 -5.644 -12.644 1.947 1.00 0.00 N ATOM 316 CA ARG A 24 -5.828 -13.638 2.998 1.00 0.00 C ATOM 317 C ARG A 24 -5.055 -14.915 2.681 1.00 0.00 C ATOM 318 O ARG A 24 -4.759 -15.710 3.571 1.00 0.00 O ATOM 319 CB ARG A 24 -7.314 -13.959 3.171 1.00 0.00 C ATOM 320 CG ARG A 24 -7.937 -14.630 1.958 1.00 0.00 C ATOM 321 CD ARG A 24 -9.453 -14.500 1.967 1.00 0.00 C ATOM 322 NE ARG A 24 -10.099 -15.581 1.228 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.373 -16.769 1.754 1.00 0.00 C ATOM 324 NH1 ARG A 24 -10.059 -17.028 3.016 1.00 0.00 N ATOM 325 NH2 ARG A 24 -10.963 -17.702 1.018 1.00 0.00 N ATOM 0 H ARG A 24 -6.490 -12.422 1.423 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.442 -13.222 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.438 -14.607 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.854 -13.036 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.538 -14.182 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.661 -15.684 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.811 -14.500 2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.737 -13.542 1.531 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.354 -15.414 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.606 -16.314 3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.271 -17.942 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.207 -17.507 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.173 -18.614 1.423 1.00 0.00 H new ATOM 339 N ASN A 25 -4.731 -15.103 1.406 1.00 0.00 N ATOM 340 CA ASN A 25 -3.994 -16.284 0.971 1.00 0.00 C ATOM 341 C ASN A 25 -2.602 -15.903 0.474 1.00 0.00 C ATOM 342 O ASN A 25 -1.942 -16.683 -0.211 1.00 0.00 O ATOM 343 CB ASN A 25 -4.761 -17.011 -0.135 1.00 0.00 C ATOM 344 CG ASN A 25 -5.867 -17.892 0.411 1.00 0.00 C ATOM 345 OD1 ASN A 25 -5.632 -19.041 0.788 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.081 -17.357 0.457 1.00 0.00 N ATOM 0 H ASN A 25 -4.967 -14.453 0.656 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.886 -16.950 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.189 -16.278 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.067 -17.621 -0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.865 -17.902 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.230 -16.401 0.134 1.00 0.00 H new ATOM 353 N SER A 26 -2.163 -14.699 0.827 1.00 0.00 N ATOM 354 CA SER A 26 -0.851 -14.213 0.415 1.00 0.00 C ATOM 355 C SER A 26 0.238 -14.734 1.347 1.00 0.00 C ATOM 356 O SER A 26 0.046 -14.818 2.560 1.00 0.00 O ATOM 357 CB SER A 26 -0.834 -12.683 0.395 1.00 0.00 C ATOM 358 OG SER A 26 -0.813 -12.157 1.711 1.00 0.00 O ATOM 0 H SER A 26 -2.696 -14.042 1.397 1.00 0.00 H new ATOM 0 HA SER A 26 -0.652 -14.584 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.040 -12.333 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.712 -12.313 -0.134 1.00 0.00 H new ATOM 0 HG SER A 26 -1.680 -12.315 2.140 1.00 0.00 H new ATOM 364 N LYS A 27 1.384 -15.082 0.771 1.00 0.00 N ATOM 365 CA LYS A 27 2.507 -15.593 1.548 1.00 0.00 C ATOM 366 C LYS A 27 3.527 -14.492 1.820 1.00 0.00 C ATOM 367 O LYS A 27 4.547 -14.725 2.469 1.00 0.00 O ATOM 368 CB LYS A 27 3.178 -16.754 0.809 1.00 0.00 C ATOM 369 CG LYS A 27 2.218 -17.576 -0.031 1.00 0.00 C ATOM 370 CD LYS A 27 1.333 -18.458 0.834 1.00 0.00 C ATOM 371 CE LYS A 27 0.268 -19.162 0.008 1.00 0.00 C ATOM 372 NZ LYS A 27 -0.660 -19.956 0.860 1.00 0.00 N ATOM 0 H LYS A 27 1.559 -15.019 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 27 2.123 -15.951 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.963 -16.358 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.661 -17.406 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.596 -16.911 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.782 -18.197 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.946 -19.199 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.856 -17.852 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.300 -18.423 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.747 -19.819 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.371 -20.420 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.122 -20.678 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.136 -19.325 1.536 1.00 0.00 H new ATOM 386 N ASP A 28 3.244 -13.294 1.322 1.00 0.00 N ATOM 387 CA ASP A 28 4.136 -12.156 1.514 1.00 0.00 C ATOM 388 C ASP A 28 3.453 -10.855 1.103 1.00 0.00 C ATOM 389 O ASP A 28 2.347 -10.867 0.562 1.00 0.00 O ATOM 390 CB ASP A 28 5.422 -12.348 0.710 1.00 0.00 C ATOM 391 CG ASP A 28 6.458 -13.163 1.459 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.487 -13.084 2.706 1.00 0.00 O ATOM 393 OD2 ASP A 28 7.238 -13.880 0.800 1.00 0.00 O ATOM 0 H ASP A 28 2.404 -13.085 0.782 1.00 0.00 H new ATOM 0 HA ASP A 28 4.385 -12.095 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.187 -12.843 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.841 -11.373 0.462 1.00 0.00 H new ATOM 398 N SER A 29 4.119 -9.735 1.364 1.00 0.00 N ATOM 399 CA SER A 29 3.574 -8.425 1.026 1.00 0.00 C ATOM 400 C SER A 29 3.536 -8.227 -0.487 1.00 0.00 C ATOM 401 O SER A 29 2.557 -7.718 -1.032 1.00 0.00 O ATOM 402 CB SER A 29 4.408 -7.319 1.675 1.00 0.00 C ATOM 403 OG SER A 29 4.548 -7.537 3.068 1.00 0.00 O ATOM 0 H SER A 29 5.037 -9.708 1.808 1.00 0.00 H new ATOM 0 HA SER A 29 2.555 -8.373 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.393 -7.281 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.935 -6.353 1.501 1.00 0.00 H new ATOM 0 HG SER A 29 5.086 -6.818 3.459 1.00 0.00 H new ATOM 409 N TRP A 30 4.608 -8.634 -1.157 1.00 0.00 N ATOM 410 CA TRP A 30 4.698 -8.501 -2.607 1.00 0.00 C ATOM 411 C TRP A 30 3.444 -9.046 -3.282 1.00 0.00 C ATOM 412 O TRP A 30 2.889 -8.416 -4.182 1.00 0.00 O ATOM 413 CB TRP A 30 5.934 -9.234 -3.131 1.00 0.00 C ATOM 414 CG TRP A 30 7.181 -8.920 -2.362 1.00 0.00 C ATOM 415 CD1 TRP A 30 8.056 -9.817 -1.818 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.691 -7.619 -2.049 1.00 0.00 C ATOM 417 NE1 TRP A 30 9.079 -9.151 -1.186 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.878 -7.802 -1.314 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.261 -6.317 -2.321 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.637 -6.732 -0.848 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.015 -5.257 -1.857 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.193 -5.469 -1.128 1.00 0.00 C ATOM 0 H TRP A 30 5.426 -9.058 -0.720 1.00 0.00 H new ATOM 0 HA TRP A 30 4.785 -7.441 -2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.754 -10.308 -3.094 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.086 -8.973 -4.178 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.958 -10.891 -1.876 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.861 -9.590 -0.700 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.356 -6.143 -2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.544 -6.894 -0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.691 -4.247 -2.060 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.761 -4.619 -0.781 1.00 0.00 H new ATOM 433 N ASP A 31 3.004 -10.220 -2.843 1.00 0.00 N ATOM 434 CA ASP A 31 1.814 -10.849 -3.405 1.00 0.00 C ATOM 435 C ASP A 31 0.580 -9.984 -3.170 1.00 0.00 C ATOM 436 O ASP A 31 -0.211 -9.753 -4.085 1.00 0.00 O ATOM 437 CB ASP A 31 1.605 -12.234 -2.790 1.00 0.00 C ATOM 438 CG ASP A 31 0.923 -13.194 -3.745 1.00 0.00 C ATOM 439 OD1 ASP A 31 1.608 -13.719 -4.649 1.00 0.00 O ATOM 440 OD2 ASP A 31 -0.294 -13.422 -3.589 1.00 0.00 O ATOM 0 H ASP A 31 3.453 -10.755 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 31 1.962 -10.955 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.569 -12.646 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.006 -12.140 -1.884 1.00 0.00 H new ATOM 445 N MET A 32 0.421 -9.509 -1.939 1.00 0.00 N ATOM 446 CA MET A 32 -0.717 -8.669 -1.585 1.00 0.00 C ATOM 447 C MET A 32 -0.812 -7.463 -2.513 1.00 0.00 C ATOM 448 O MET A 32 -1.761 -7.335 -3.288 1.00 0.00 O ATOM 449 CB MET A 32 -0.601 -8.202 -0.133 1.00 0.00 C ATOM 450 CG MET A 32 -1.253 -9.148 0.863 1.00 0.00 C ATOM 451 SD MET A 32 -0.930 -8.684 2.575 1.00 0.00 S ATOM 452 CE MET A 32 0.513 -9.683 2.930 1.00 0.00 C ATOM 0 H MET A 32 1.066 -9.692 -1.170 1.00 0.00 H new ATOM 0 HA MET A 32 -1.624 -9.263 -1.697 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.453 -8.090 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.058 -7.217 -0.039 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.329 -9.164 0.692 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.887 -10.160 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.288 -10.370 3.746 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.789 -10.252 2.042 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.342 -9.036 3.218 1.00 0.00 H new ATOM 462 N LEU A 33 0.177 -6.579 -2.431 1.00 0.00 N ATOM 463 CA LEU A 33 0.205 -5.382 -3.264 1.00 0.00 C ATOM 464 C LEU A 33 0.251 -5.749 -4.744 1.00 0.00 C ATOM 465 O LEU A 33 -0.284 -5.033 -5.589 1.00 0.00 O ATOM 466 CB LEU A 33 1.412 -4.514 -2.903 1.00 0.00 C ATOM 467 CG LEU A 33 1.547 -4.131 -1.429 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.837 -3.361 -1.194 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.346 -3.312 -0.979 1.00 0.00 C ATOM 0 H LEU A 33 0.970 -6.669 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.709 -4.818 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.317 -5.042 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.365 -3.598 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 33 1.581 -5.046 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.916 -3.097 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.688 -3.981 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.833 -2.453 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.459 -3.048 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.281 -2.403 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.564 -3.898 -1.110 1.00 0.00 H new ATOM 481 N GLY A 34 0.894 -6.872 -5.050 1.00 0.00 N ATOM 482 CA GLY A 34 0.997 -7.316 -6.427 1.00 0.00 C ATOM 483 C GLY A 34 2.187 -6.711 -7.144 1.00 0.00 C ATOM 484 O GLY A 34 2.086 -6.314 -8.305 1.00 0.00 O ATOM 0 H GLY A 34 1.345 -7.482 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.077 -8.403 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.083 -7.052 -6.960 1.00 0.00 H new ATOM 488 N VAL A 35 3.319 -6.638 -6.451 1.00 0.00 N ATOM 489 CA VAL A 35 4.534 -6.076 -7.028 1.00 0.00 C ATOM 490 C VAL A 35 5.728 -6.996 -6.800 1.00 0.00 C ATOM 491 O VAL A 35 5.631 -7.991 -6.082 1.00 0.00 O ATOM 492 CB VAL A 35 4.848 -4.689 -6.435 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.892 -3.643 -6.987 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.784 -4.733 -4.916 1.00 0.00 C ATOM 0 H VAL A 35 3.420 -6.961 -5.489 1.00 0.00 H new ATOM 0 HA VAL A 35 4.357 -5.974 -8.099 1.00 0.00 H new ATOM 0 HB VAL A 35 5.861 -4.410 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.129 -2.670 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.992 -3.594 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.868 -3.914 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.008 -3.745 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.784 -5.034 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.513 -5.451 -4.542 1.00 0.00 H new ATOM 504 N LYS A 36 6.856 -6.657 -7.416 1.00 0.00 N ATOM 505 CA LYS A 36 8.071 -7.452 -7.280 1.00 0.00 C ATOM 506 C LYS A 36 8.851 -7.043 -6.034 1.00 0.00 C ATOM 507 O LYS A 36 8.774 -5.905 -5.570 1.00 0.00 O ATOM 508 CB LYS A 36 8.951 -7.292 -8.521 1.00 0.00 C ATOM 509 CG LYS A 36 9.589 -5.919 -8.642 1.00 0.00 C ATOM 510 CD LYS A 36 8.714 -4.966 -9.439 1.00 0.00 C ATOM 511 CE LYS A 36 9.546 -3.919 -10.164 1.00 0.00 C ATOM 512 NZ LYS A 36 8.821 -3.346 -11.332 1.00 0.00 N ATOM 0 H LYS A 36 6.954 -5.837 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 36 7.782 -8.498 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.736 -8.048 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.349 -7.483 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.763 -5.509 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.562 -6.010 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.126 -5.530 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.009 -4.473 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.808 -3.119 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.481 -4.367 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.507 -2.955 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.264 -4.092 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.185 -2.590 -11.009 1.00 0.00 H new ATOM 526 N PRO A 37 9.622 -7.990 -5.481 1.00 0.00 N ATOM 527 CA PRO A 37 10.434 -7.751 -4.283 1.00 0.00 C ATOM 528 C PRO A 37 11.607 -6.816 -4.556 1.00 0.00 C ATOM 529 O PRO A 37 12.423 -6.554 -3.672 1.00 0.00 O ATOM 530 CB PRO A 37 10.938 -9.147 -3.911 1.00 0.00 C ATOM 531 CG PRO A 37 10.922 -9.909 -5.192 1.00 0.00 C ATOM 532 CD PRO A 37 9.763 -9.368 -5.982 1.00 0.00 C ATOM 0 HA PRO A 37 9.861 -7.266 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.941 -9.106 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.296 -9.614 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.858 -9.779 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.805 -10.977 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.963 -9.388 -7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.857 -9.951 -5.816 1.00 0.00 H new ATOM 540 N GLY A 38 11.686 -6.314 -5.784 1.00 0.00 N ATOM 541 CA GLY A 38 12.763 -5.413 -6.150 1.00 0.00 C ATOM 542 C GLY A 38 12.255 -4.075 -6.650 1.00 0.00 C ATOM 543 O GLY A 38 12.921 -3.408 -7.441 1.00 0.00 O ATOM 0 H GLY A 38 11.023 -6.515 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.408 -5.253 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.375 -5.878 -6.923 1.00 0.00 H new ATOM 547 N ALA A 39 11.072 -3.683 -6.189 1.00 0.00 N ATOM 548 CA ALA A 39 10.476 -2.416 -6.594 1.00 0.00 C ATOM 549 C ALA A 39 10.919 -1.282 -5.675 1.00 0.00 C ATOM 550 O ALA A 39 11.567 -1.515 -4.654 1.00 0.00 O ATOM 551 CB ALA A 39 8.959 -2.527 -6.606 1.00 0.00 C ATOM 0 H ALA A 39 10.507 -4.225 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 39 10.820 -2.186 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.527 -1.574 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.657 -3.303 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.605 -2.784 -5.608 1.00 0.00 H new ATOM 557 N SER A 40 10.565 -0.055 -6.044 1.00 0.00 N ATOM 558 CA SER A 40 10.930 1.115 -5.254 1.00 0.00 C ATOM 559 C SER A 40 9.722 1.656 -4.495 1.00 0.00 C ATOM 560 O SER A 40 8.581 1.291 -4.780 1.00 0.00 O ATOM 561 CB SER A 40 11.508 2.206 -6.158 1.00 0.00 C ATOM 562 OG SER A 40 12.850 1.917 -6.510 1.00 0.00 O ATOM 0 H SER A 40 10.026 0.155 -6.884 1.00 0.00 H new ATOM 0 HA SER A 40 11.687 0.813 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.903 2.294 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.461 3.168 -5.648 1.00 0.00 H new ATOM 0 HG SER A 40 13.197 2.628 -7.089 1.00 0.00 H new ATOM 568 N ARG A 41 9.982 2.528 -3.526 1.00 0.00 N ATOM 569 CA ARG A 41 8.918 3.118 -2.723 1.00 0.00 C ATOM 570 C ARG A 41 7.767 3.589 -3.608 1.00 0.00 C ATOM 571 O ARG A 41 6.599 3.344 -3.307 1.00 0.00 O ATOM 572 CB ARG A 41 9.458 4.292 -1.905 1.00 0.00 C ATOM 573 CG ARG A 41 8.476 4.818 -0.871 1.00 0.00 C ATOM 574 CD ARG A 41 9.112 5.878 0.014 1.00 0.00 C ATOM 575 NE ARG A 41 9.035 7.208 -0.583 1.00 0.00 N ATOM 576 CZ ARG A 41 9.510 8.304 -0.001 1.00 0.00 C ATOM 577 NH1 ARG A 41 10.094 8.227 1.187 1.00 0.00 N ATOM 578 NH2 ARG A 41 9.403 9.479 -0.608 1.00 0.00 N ATOM 0 H ARG A 41 10.921 2.841 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 41 8.543 2.352 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.373 3.981 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.728 5.102 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.606 5.238 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.120 3.993 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.614 5.887 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.156 5.621 0.194 1.00 0.00 H new ATOM 0 HE ARG A 41 8.592 7.301 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.179 7.325 1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.458 9.070 1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.956 9.542 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.768 10.320 -0.160 1.00 0.00 H new ATOM 592 N ASP A 42 8.106 4.265 -4.700 1.00 0.00 N ATOM 593 CA ASP A 42 7.102 4.770 -5.629 1.00 0.00 C ATOM 594 C ASP A 42 6.238 3.633 -6.166 1.00 0.00 C ATOM 595 O ASP A 42 5.025 3.779 -6.313 1.00 0.00 O ATOM 596 CB ASP A 42 7.774 5.507 -6.789 1.00 0.00 C ATOM 597 CG ASP A 42 7.980 6.980 -6.497 1.00 0.00 C ATOM 598 OD1 ASP A 42 7.174 7.551 -5.732 1.00 0.00 O ATOM 599 OD2 ASP A 42 8.946 7.563 -7.033 1.00 0.00 O ATOM 0 H ASP A 42 9.068 4.476 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 42 6.461 5.466 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.737 5.043 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.164 5.399 -7.686 1.00 0.00 H new ATOM 604 N GLU A 43 6.871 2.501 -6.457 1.00 0.00 N ATOM 605 CA GLU A 43 6.160 1.340 -6.979 1.00 0.00 C ATOM 606 C GLU A 43 5.223 0.757 -5.924 1.00 0.00 C ATOM 607 O GLU A 43 4.014 0.666 -6.134 1.00 0.00 O ATOM 608 CB GLU A 43 7.152 0.272 -7.442 1.00 0.00 C ATOM 609 CG GLU A 43 7.548 0.402 -8.903 1.00 0.00 C ATOM 610 CD GLU A 43 8.272 -0.825 -9.423 1.00 0.00 C ATOM 611 OE1 GLU A 43 7.589 -1.798 -9.806 1.00 0.00 O ATOM 612 OE2 GLU A 43 9.520 -0.812 -9.448 1.00 0.00 O ATOM 0 H GLU A 43 7.875 2.363 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 43 5.563 1.664 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.049 0.329 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.715 -0.713 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.655 0.574 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.188 1.276 -9.026 1.00 0.00 H new ATOM 619 N VAL A 44 5.792 0.362 -4.790 1.00 0.00 N ATOM 620 CA VAL A 44 5.009 -0.213 -3.702 1.00 0.00 C ATOM 621 C VAL A 44 3.790 0.647 -3.389 1.00 0.00 C ATOM 622 O VAL A 44 2.690 0.132 -3.191 1.00 0.00 O ATOM 623 CB VAL A 44 5.855 -0.369 -2.424 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.035 -1.012 -1.316 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.108 -1.182 -2.711 1.00 0.00 C ATOM 0 H VAL A 44 6.792 0.429 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 44 4.680 -1.198 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 44 6.161 0.622 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.649 -1.114 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.171 -0.387 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.697 -1.997 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.694 -1.282 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.825 -2.171 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.704 -0.676 -3.470 1.00 0.00 H new ATOM 635 N ASN A 45 3.992 1.960 -3.347 1.00 0.00 N ATOM 636 CA ASN A 45 2.909 2.892 -3.058 1.00 0.00 C ATOM 637 C ASN A 45 1.863 2.871 -4.169 1.00 0.00 C ATOM 638 O ASN A 45 0.661 2.893 -3.906 1.00 0.00 O ATOM 639 CB ASN A 45 3.459 4.309 -2.887 1.00 0.00 C ATOM 640 CG ASN A 45 3.915 4.584 -1.467 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.098 4.806 -0.573 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.226 4.571 -1.253 1.00 0.00 N ATOM 0 H ASN A 45 4.897 2.402 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 45 2.433 2.580 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.296 4.456 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.691 5.030 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.592 4.750 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.867 4.382 -2.024 1.00 0.00 H new ATOM 649 N LYS A 46 2.330 2.829 -5.413 1.00 0.00 N ATOM 650 CA LYS A 46 1.437 2.804 -6.565 1.00 0.00 C ATOM 651 C LYS A 46 0.460 1.636 -6.471 1.00 0.00 C ATOM 652 O LYS A 46 -0.748 1.811 -6.628 1.00 0.00 O ATOM 653 CB LYS A 46 2.246 2.703 -7.861 1.00 0.00 C ATOM 654 CG LYS A 46 1.490 3.181 -9.088 1.00 0.00 C ATOM 655 CD LYS A 46 1.495 4.697 -9.190 1.00 0.00 C ATOM 656 CE LYS A 46 2.793 5.211 -9.792 1.00 0.00 C ATOM 657 NZ LYS A 46 2.958 6.677 -9.587 1.00 0.00 N ATOM 0 H LYS A 46 3.322 2.812 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 46 0.866 3.733 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.159 3.289 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.548 1.666 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.941 2.754 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.462 2.822 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.654 5.024 -9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.356 5.130 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.635 4.685 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.811 4.989 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.855 6.988 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.168 7.182 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.966 6.886 -8.568 1.00 0.00 H new ATOM 671 N ALA A 47 0.991 0.446 -6.212 1.00 0.00 N ATOM 672 CA ALA A 47 0.165 -0.750 -6.094 1.00 0.00 C ATOM 673 C ALA A 47 -0.731 -0.678 -4.862 1.00 0.00 C ATOM 674 O ALA A 47 -1.894 -1.079 -4.905 1.00 0.00 O ATOM 675 CB ALA A 47 1.041 -1.993 -6.039 1.00 0.00 C ATOM 0 H ALA A 47 1.989 0.284 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.475 -0.808 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.411 -2.878 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.636 -2.060 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.705 -1.933 -5.176 1.00 0.00 H new ATOM 681 N TYR A 48 -0.183 -0.165 -3.766 1.00 0.00 N ATOM 682 CA TYR A 48 -0.932 -0.043 -2.522 1.00 0.00 C ATOM 683 C TYR A 48 -2.104 0.920 -2.683 1.00 0.00 C ATOM 684 O TYR A 48 -3.183 0.702 -2.131 1.00 0.00 O ATOM 685 CB TYR A 48 -0.015 0.436 -1.395 1.00 0.00 C ATOM 686 CG TYR A 48 -0.737 1.210 -0.315 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.240 2.481 -0.561 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.917 0.669 0.953 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.899 3.192 0.423 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.576 1.372 1.942 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.065 2.633 1.673 1.00 0.00 C ATOM 692 OH TYR A 48 -2.722 3.337 2.655 1.00 0.00 O ATOM 0 H TYR A 48 0.778 0.173 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.326 -1.027 -2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.476 -0.427 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.769 1.064 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.114 2.921 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.535 -0.318 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.282 4.180 0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.708 0.936 2.921 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.755 2.802 3.475 1.00 0.00 H new ATOM 702 N ARG A 49 -1.884 1.987 -3.444 1.00 0.00 N ATOM 703 CA ARG A 49 -2.920 2.985 -3.679 1.00 0.00 C ATOM 704 C ARG A 49 -4.072 2.394 -4.487 1.00 0.00 C ATOM 705 O ARG A 49 -5.195 2.282 -3.996 1.00 0.00 O ATOM 706 CB ARG A 49 -2.337 4.194 -4.413 1.00 0.00 C ATOM 707 CG ARG A 49 -1.647 5.190 -3.494 1.00 0.00 C ATOM 708 CD ARG A 49 -1.265 6.461 -4.237 1.00 0.00 C ATOM 709 NE ARG A 49 -0.528 7.391 -3.386 1.00 0.00 N ATOM 710 CZ ARG A 49 0.299 8.319 -3.855 1.00 0.00 C ATOM 711 NH1 ARG A 49 0.492 8.440 -5.161 1.00 0.00 N ATOM 712 NH2 ARG A 49 0.933 9.129 -3.017 1.00 0.00 N ATOM 0 H ARG A 49 -0.997 2.182 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.305 3.306 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.623 3.846 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.137 4.703 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.307 5.438 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.754 4.734 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.658 6.205 -5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.166 6.947 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.655 7.325 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.005 7.820 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.127 9.153 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.786 9.040 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.568 9.841 -3.378 1.00 0.00 H new ATOM 726 N LYS A 50 -3.784 2.016 -5.728 1.00 0.00 N ATOM 727 CA LYS A 50 -4.794 1.435 -6.604 1.00 0.00 C ATOM 728 C LYS A 50 -5.610 0.377 -5.869 1.00 0.00 C ATOM 729 O LYS A 50 -6.838 0.351 -5.959 1.00 0.00 O ATOM 730 CB LYS A 50 -4.134 0.818 -7.839 1.00 0.00 C ATOM 731 CG LYS A 50 -3.078 -0.222 -7.508 1.00 0.00 C ATOM 732 CD LYS A 50 -2.462 -0.812 -8.765 1.00 0.00 C ATOM 733 CE LYS A 50 -1.344 0.068 -9.304 1.00 0.00 C ATOM 734 NZ LYS A 50 -0.368 -0.711 -10.116 1.00 0.00 N ATOM 0 H LYS A 50 -2.859 2.102 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.467 2.233 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.903 0.358 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.678 1.611 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.297 0.233 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.525 -1.018 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.071 -1.806 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.232 -0.932 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.771 0.864 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.825 0.546 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.378 -0.076 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.058 -1.455 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.858 -1.147 -10.923 1.00 0.00 H new ATOM 748 N LEU A 51 -4.920 -0.493 -5.140 1.00 0.00 N ATOM 749 CA LEU A 51 -5.581 -1.554 -4.386 1.00 0.00 C ATOM 750 C LEU A 51 -6.433 -0.973 -3.262 1.00 0.00 C ATOM 751 O LEU A 51 -7.631 -1.239 -3.177 1.00 0.00 O ATOM 752 CB LEU A 51 -4.544 -2.519 -3.809 1.00 0.00 C ATOM 753 CG LEU A 51 -5.027 -3.946 -3.549 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.600 -4.555 -4.819 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.891 -4.803 -3.010 1.00 0.00 C ATOM 0 H LEU A 51 -3.904 -0.485 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.234 -2.098 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.697 -2.563 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.174 -2.105 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.817 -3.911 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.939 -5.571 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.442 -3.954 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.831 -4.577 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.253 -5.815 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.080 -4.831 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.526 -4.377 -2.075 1.00 0.00 H new ATOM 767 N ALA A 52 -5.806 -0.177 -2.402 1.00 0.00 N ATOM 768 CA ALA A 52 -6.508 0.445 -1.286 1.00 0.00 C ATOM 769 C ALA A 52 -7.875 0.964 -1.718 1.00 0.00 C ATOM 770 O ALA A 52 -8.879 0.737 -1.042 1.00 0.00 O ATOM 771 CB ALA A 52 -5.673 1.575 -0.701 1.00 0.00 C ATOM 0 H ALA A 52 -4.814 0.052 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.662 -0.313 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.209 2.030 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.722 1.178 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.489 2.327 -1.469 1.00 0.00 H new ATOM 777 N VAL A 53 -7.908 1.664 -2.848 1.00 0.00 N ATOM 778 CA VAL A 53 -9.152 2.216 -3.370 1.00 0.00 C ATOM 779 C VAL A 53 -10.169 1.113 -3.645 1.00 0.00 C ATOM 780 O VAL A 53 -11.369 1.292 -3.430 1.00 0.00 O ATOM 781 CB VAL A 53 -8.913 3.014 -4.665 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.228 3.537 -5.221 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.938 4.155 -4.415 1.00 0.00 C ATOM 0 H VAL A 53 -7.087 1.862 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.545 2.888 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.473 2.347 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.039 4.098 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.890 2.699 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.700 4.189 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.781 4.708 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.347 4.824 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.987 3.751 -4.067 1.00 0.00 H new ATOM 793 N LEU A 54 -9.682 -0.027 -4.122 1.00 0.00 N ATOM 794 CA LEU A 54 -10.548 -1.160 -4.427 1.00 0.00 C ATOM 795 C LEU A 54 -11.023 -1.842 -3.148 1.00 0.00 C ATOM 796 O LEU A 54 -12.188 -2.225 -3.031 1.00 0.00 O ATOM 797 CB LEU A 54 -9.811 -2.167 -5.312 1.00 0.00 C ATOM 798 CG LEU A 54 -10.624 -3.378 -5.772 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.463 -3.026 -6.990 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.705 -4.553 -6.076 1.00 0.00 C ATOM 0 H LEU A 54 -8.692 -0.191 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.420 -0.785 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.444 -1.644 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.937 -2.526 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.297 -3.668 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.035 -3.900 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.147 -2.216 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.809 -2.710 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.300 -5.406 -6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.007 -4.274 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.148 -4.821 -5.178 1.00 0.00 H new ATOM 812 N LEU A 55 -10.114 -1.990 -2.190 1.00 0.00 N ATOM 813 CA LEU A 55 -10.441 -2.624 -0.917 1.00 0.00 C ATOM 814 C LEU A 55 -10.982 -1.602 0.077 1.00 0.00 C ATOM 815 O LEU A 55 -11.404 -1.956 1.179 1.00 0.00 O ATOM 816 CB LEU A 55 -9.204 -3.312 -0.336 1.00 0.00 C ATOM 817 CG LEU A 55 -8.492 -4.304 -1.258 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.063 -4.534 -0.792 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.255 -5.619 -1.317 1.00 0.00 C ATOM 0 H LEU A 55 -9.146 -1.680 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.214 -3.371 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.490 -2.543 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.498 -3.838 0.572 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.461 -3.880 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.572 -5.242 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.520 -3.589 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.071 -4.936 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.734 -6.313 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.318 -6.048 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.260 -5.440 -1.699 1.00 0.00 H new ATOM 831 N HIS A 56 -10.970 -0.334 -0.320 1.00 0.00 N ATOM 832 CA HIS A 56 -11.463 0.740 0.535 1.00 0.00 C ATOM 833 C HIS A 56 -12.867 0.428 1.044 1.00 0.00 C ATOM 834 O HIS A 56 -13.711 -0.105 0.323 1.00 0.00 O ATOM 835 CB HIS A 56 -11.466 2.066 -0.226 1.00 0.00 C ATOM 836 CG HIS A 56 -11.242 3.260 0.650 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.228 4.181 0.935 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.135 3.680 1.307 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.737 5.117 1.728 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.469 4.836 1.969 1.00 0.00 N ATOM 0 H HIS A 56 -10.624 -0.025 -1.228 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.795 0.824 1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.691 2.037 -0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.420 2.178 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.169 3.196 1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.280 5.967 2.114 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.840 5.388 2.552 1.00 0.00 H new ATOM 848 N PRO A 57 -13.125 0.766 2.316 1.00 0.00 N ATOM 849 CA PRO A 57 -14.425 0.531 2.950 1.00 0.00 C ATOM 850 C PRO A 57 -15.517 1.435 2.386 1.00 0.00 C ATOM 851 O PRO A 57 -16.693 1.281 2.713 1.00 0.00 O ATOM 852 CB PRO A 57 -14.167 0.860 4.423 1.00 0.00 C ATOM 853 CG PRO A 57 -13.020 1.810 4.403 1.00 0.00 C ATOM 854 CD PRO A 57 -12.166 1.404 3.234 1.00 0.00 C ATOM 0 HA PRO A 57 -14.782 -0.485 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.045 1.309 4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.928 -0.038 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.366 2.838 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.456 1.760 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.680 2.264 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.377 0.715 3.533 1.00 0.00 H new ATOM 862 N ASP A 58 -15.119 2.376 1.537 1.00 0.00 N ATOM 863 CA ASP A 58 -16.063 3.303 0.926 1.00 0.00 C ATOM 864 C ASP A 58 -16.413 2.867 -0.494 1.00 0.00 C ATOM 865 O ASP A 58 -17.352 3.381 -1.100 1.00 0.00 O ATOM 866 CB ASP A 58 -15.484 4.719 0.909 1.00 0.00 C ATOM 867 CG ASP A 58 -16.560 5.784 0.846 1.00 0.00 C ATOM 868 OD1 ASP A 58 -17.261 5.980 1.861 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.702 6.422 -0.218 1.00 0.00 O ATOM 0 H ASP A 58 -14.148 2.517 1.256 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.975 3.299 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.878 4.871 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.820 4.826 0.051 1.00 0.00 H new ATOM 874 N LYS A 59 -15.649 1.915 -1.019 1.00 0.00 N ATOM 875 CA LYS A 59 -15.876 1.408 -2.367 1.00 0.00 C ATOM 876 C LYS A 59 -16.277 -0.063 -2.335 1.00 0.00 C ATOM 877 O LYS A 59 -17.053 -0.523 -3.174 1.00 0.00 O ATOM 878 CB LYS A 59 -14.618 1.586 -3.220 1.00 0.00 C ATOM 879 CG LYS A 59 -14.069 3.002 -3.208 1.00 0.00 C ATOM 880 CD LYS A 59 -14.669 3.842 -4.323 1.00 0.00 C ATOM 881 CE LYS A 59 -14.748 5.310 -3.934 1.00 0.00 C ATOM 882 NZ LYS A 59 -15.725 5.541 -2.834 1.00 0.00 N ATOM 0 H LYS A 59 -14.867 1.479 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.692 1.979 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.847 0.904 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.843 1.301 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.282 3.468 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.985 2.974 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.066 3.735 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.667 3.473 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.763 5.657 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.034 5.901 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.494 6.152 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.119 4.630 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.245 6.002 -2.035 1.00 0.00 H new ATOM 896 N CYS A 60 -15.747 -0.795 -1.362 1.00 0.00 N ATOM 897 CA CYS A 60 -16.051 -2.214 -1.220 1.00 0.00 C ATOM 898 C CYS A 60 -16.719 -2.496 0.122 1.00 0.00 C ATOM 899 O CYS A 60 -16.057 -2.552 1.158 1.00 0.00 O ATOM 900 CB CYS A 60 -14.774 -3.046 -1.351 1.00 0.00 C ATOM 901 SG CYS A 60 -15.066 -4.802 -1.668 1.00 0.00 S ATOM 0 H CYS A 60 -15.104 -0.429 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.742 -2.493 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.169 -2.638 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.192 -2.945 -0.435 1.00 0.00 H new ATOM 0 HG CYS A 60 -15.980 -4.932 -2.583 1.00 0.00 H new ATOM 907 N VAL A 61 -18.037 -2.670 0.095 1.00 0.00 N ATOM 908 CA VAL A 61 -18.796 -2.945 1.309 1.00 0.00 C ATOM 909 C VAL A 61 -18.709 -4.419 1.690 1.00 0.00 C ATOM 910 O VAL A 61 -19.418 -4.883 2.582 1.00 0.00 O ATOM 911 CB VAL A 61 -20.277 -2.555 1.145 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.408 -1.073 0.832 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.932 -3.398 0.061 1.00 0.00 C ATOM 0 H VAL A 61 -18.601 -2.625 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.354 -2.341 2.102 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.792 -2.749 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.461 -0.817 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.977 -0.490 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.879 -0.849 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.978 -3.110 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.417 -3.238 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.871 -4.452 0.333 1.00 0.00 H new ATOM 923 N ALA A 62 -17.834 -5.150 1.008 1.00 0.00 N ATOM 924 CA ALA A 62 -17.651 -6.571 1.277 1.00 0.00 C ATOM 925 C ALA A 62 -17.277 -6.810 2.735 1.00 0.00 C ATOM 926 O ALA A 62 -16.685 -5.958 3.398 1.00 0.00 O ATOM 927 CB ALA A 62 -16.588 -7.150 0.355 1.00 0.00 C ATOM 0 H ALA A 62 -17.240 -4.782 0.265 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.597 -7.077 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.462 -8.212 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.897 -7.021 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.643 -6.632 0.519 1.00 0.00 H new ATOM 933 N PRO A 63 -17.631 -7.997 3.251 1.00 0.00 N ATOM 934 CA PRO A 63 -17.343 -8.376 4.637 1.00 0.00 C ATOM 935 C PRO A 63 -15.854 -8.604 4.878 1.00 0.00 C ATOM 936 O PRO A 63 -15.399 -8.638 6.020 1.00 0.00 O ATOM 937 CB PRO A 63 -18.120 -9.682 4.817 1.00 0.00 C ATOM 938 CG PRO A 63 -18.241 -10.243 3.443 1.00 0.00 C ATOM 939 CD PRO A 63 -18.339 -9.061 2.519 1.00 0.00 C ATOM 0 HA PRO A 63 -17.628 -7.594 5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.593 -10.368 5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -19.100 -9.502 5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.377 -10.860 3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.122 -10.879 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.873 -9.265 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.376 -8.791 2.321 1.00 0.00 H new ATOM 947 N GLY A 64 -15.101 -8.761 3.794 1.00 0.00 N ATOM 948 CA GLY A 64 -13.672 -8.984 3.909 1.00 0.00 C ATOM 949 C GLY A 64 -12.861 -7.767 3.509 1.00 0.00 C ATOM 950 O GLY A 64 -11.726 -7.596 3.953 1.00 0.00 O ATOM 0 H GLY A 64 -15.455 -8.738 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.431 -9.255 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.388 -9.829 3.281 1.00 0.00 H new ATOM 954 N SER A 65 -13.443 -6.921 2.666 1.00 0.00 N ATOM 955 CA SER A 65 -12.765 -5.717 2.201 1.00 0.00 C ATOM 956 C SER A 65 -12.041 -5.023 3.351 1.00 0.00 C ATOM 957 O SER A 65 -10.972 -4.442 3.164 1.00 0.00 O ATOM 958 CB SER A 65 -13.769 -4.755 1.561 1.00 0.00 C ATOM 959 OG SER A 65 -14.700 -4.280 2.517 1.00 0.00 O ATOM 0 H SER A 65 -14.383 -7.047 2.291 1.00 0.00 H new ATOM 0 HA SER A 65 -12.027 -6.011 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.238 -3.913 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.298 -5.261 0.753 1.00 0.00 H new ATOM 0 HG SER A 65 -15.169 -3.498 2.157 1.00 0.00 H new ATOM 965 N GLU A 66 -12.633 -5.088 4.539 1.00 0.00 N ATOM 966 CA GLU A 66 -12.045 -4.466 5.720 1.00 0.00 C ATOM 967 C GLU A 66 -10.703 -5.107 6.061 1.00 0.00 C ATOM 968 O GLU A 66 -9.674 -4.432 6.109 1.00 0.00 O ATOM 969 CB GLU A 66 -12.996 -4.582 6.912 1.00 0.00 C ATOM 970 CG GLU A 66 -12.424 -4.022 8.204 1.00 0.00 C ATOM 971 CD GLU A 66 -12.672 -2.534 8.355 1.00 0.00 C ATOM 972 OE1 GLU A 66 -13.789 -2.082 8.029 1.00 0.00 O ATOM 973 OE2 GLU A 66 -11.748 -1.822 8.801 1.00 0.00 O ATOM 0 H GLU A 66 -13.519 -5.565 4.710 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.879 -3.412 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.923 -4.059 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.251 -5.631 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.866 -4.548 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.351 -4.213 8.235 1.00 0.00 H new ATOM 980 N ASP A 67 -10.721 -6.414 6.299 1.00 0.00 N ATOM 981 CA ASP A 67 -9.507 -7.147 6.636 1.00 0.00 C ATOM 982 C ASP A 67 -8.431 -6.932 5.576 1.00 0.00 C ATOM 983 O ASP A 67 -7.270 -6.682 5.899 1.00 0.00 O ATOM 984 CB ASP A 67 -9.810 -8.640 6.777 1.00 0.00 C ATOM 985 CG ASP A 67 -8.628 -9.509 6.395 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.352 -9.635 5.184 1.00 0.00 O ATOM 987 OD2 ASP A 67 -7.980 -10.064 7.307 1.00 0.00 O ATOM 0 H ASP A 67 -11.564 -6.988 6.265 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.135 -6.768 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.097 -8.854 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.663 -8.896 6.149 1.00 0.00 H new ATOM 992 N ALA A 68 -8.824 -7.033 4.311 1.00 0.00 N ATOM 993 CA ALA A 68 -7.894 -6.849 3.205 1.00 0.00 C ATOM 994 C ALA A 68 -7.128 -5.538 3.344 1.00 0.00 C ATOM 995 O ALA A 68 -5.897 -5.526 3.369 1.00 0.00 O ATOM 996 CB ALA A 68 -8.637 -6.890 1.878 1.00 0.00 C ATOM 0 H ALA A 68 -9.781 -7.241 4.027 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.172 -7.666 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.930 -6.751 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.133 -7.854 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.381 -6.094 1.853 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.863 -4.435 3.434 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.253 -3.117 3.569 1.00 0.00 C ATOM 1004 C PHE A 69 -6.220 -3.109 4.693 1.00 0.00 C ATOM 1005 O PHE A 69 -5.149 -2.516 4.563 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.325 -2.060 3.840 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.796 -0.654 3.836 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.000 -0.202 2.796 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.093 0.214 4.874 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.512 1.091 2.789 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.608 1.509 4.872 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.815 1.947 3.829 1.00 0.00 C ATOM 0 H PHE A 69 -8.883 -4.427 3.416 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.748 -2.880 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.108 -2.147 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.788 -2.263 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.758 -0.868 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.710 -0.124 5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.894 1.431 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.849 2.178 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.433 2.957 3.827 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.551 -3.771 5.797 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.654 -3.842 6.944 1.00 0.00 C ATOM 1024 C LYS A 70 -4.340 -4.519 6.567 1.00 0.00 C ATOM 1025 O LYS A 70 -3.261 -4.031 6.901 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.321 -4.603 8.092 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.114 -3.712 9.033 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.250 -4.474 9.696 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.746 -5.342 10.838 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.864 -5.885 11.658 1.00 0.00 N ATOM 0 H LYS A 70 -7.434 -4.266 5.921 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.437 -2.824 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.985 -5.361 7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.555 -5.128 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.451 -3.307 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.517 -2.864 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.991 -3.769 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.751 -5.099 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.158 -6.166 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.081 -4.756 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.479 -6.471 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.411 -5.099 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.485 -6.465 11.058 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.439 -5.645 5.867 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.259 -6.386 5.442 1.00 0.00 C ATOM 1046 C ALA A 71 -2.347 -5.519 4.580 1.00 0.00 C ATOM 1047 O ALA A 71 -1.154 -5.392 4.854 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.668 -7.640 4.684 1.00 0.00 C ATOM 0 H ALA A 71 -5.325 -6.063 5.583 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.704 -6.678 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.776 -8.184 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.273 -8.275 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.248 -7.361 3.805 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.916 -4.924 3.536 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.155 -4.069 2.635 1.00 0.00 C ATOM 1056 C VAL A 72 -1.214 -3.153 3.410 1.00 0.00 C ATOM 1057 O VAL A 72 -0.008 -3.133 3.165 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.085 -3.209 1.758 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.277 -2.213 0.940 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.931 -4.092 0.854 1.00 0.00 C ATOM 0 H VAL A 72 -3.902 -5.019 3.294 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.569 -4.727 1.993 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.755 -2.648 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.951 -1.614 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.719 -1.559 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.581 -2.751 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.582 -3.468 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.280 -4.681 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.538 -4.761 1.464 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.775 -2.394 4.346 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.986 -1.476 5.159 1.00 0.00 C ATOM 1072 C VAL A 73 0.246 -2.168 5.731 1.00 0.00 C ATOM 1073 O VAL A 73 1.377 -1.755 5.476 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.819 -0.895 6.318 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.952 -0.025 7.215 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -3.003 -0.106 5.779 1.00 0.00 C ATOM 0 H VAL A 73 -2.772 -2.397 4.560 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.672 -0.664 4.504 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.204 -1.721 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.557 0.376 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.141 -0.624 7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.536 0.797 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.581 0.297 6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.642 0.713 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.636 -0.762 5.182 1.00 0.00 H new ATOM 1086 N ASN A 74 0.019 -3.224 6.506 1.00 0.00 N ATOM 1087 CA ASN A 74 1.111 -3.974 7.114 1.00 0.00 C ATOM 1088 C ASN A 74 2.140 -4.385 6.065 1.00 0.00 C ATOM 1089 O ASN A 74 3.337 -4.447 6.346 1.00 0.00 O ATOM 1090 CB ASN A 74 0.570 -5.215 7.827 1.00 0.00 C ATOM 1091 CG ASN A 74 0.131 -4.920 9.248 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.670 -4.029 9.904 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.853 -5.670 9.731 1.00 0.00 N ATOM 0 H ASN A 74 -0.911 -3.579 6.727 1.00 0.00 H new ATOM 0 HA ASN A 74 1.600 -3.328 7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.274 -5.615 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.339 -5.987 7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.191 -5.518 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.271 -6.398 9.151 1.00 0.00 H new ATOM 1100 N ALA A 75 1.665 -4.663 4.856 1.00 0.00 N ATOM 1101 CA ALA A 75 2.543 -5.065 3.764 1.00 0.00 C ATOM 1102 C ALA A 75 3.380 -3.889 3.272 1.00 0.00 C ATOM 1103 O ALA A 75 4.600 -3.870 3.440 1.00 0.00 O ATOM 1104 CB ALA A 75 1.729 -5.651 2.620 1.00 0.00 C ATOM 0 H ALA A 75 0.677 -4.617 4.608 1.00 0.00 H new ATOM 0 HA ALA A 75 3.223 -5.830 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.398 -5.947 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.180 -6.523 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.026 -4.903 2.254 1.00 0.00 H new ATOM 1110 N ARG A 76 2.718 -2.912 2.662 1.00 0.00 N ATOM 1111 CA ARG A 76 3.402 -1.733 2.144 1.00 0.00 C ATOM 1112 C ARG A 76 4.273 -1.092 3.221 1.00 0.00 C ATOM 1113 O ARG A 76 5.500 -1.094 3.125 1.00 0.00 O ATOM 1114 CB ARG A 76 2.386 -0.716 1.622 1.00 0.00 C ATOM 1115 CG ARG A 76 2.988 0.646 1.319 1.00 0.00 C ATOM 1116 CD ARG A 76 1.941 1.747 1.388 1.00 0.00 C ATOM 1117 NE ARG A 76 2.522 3.032 1.766 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.833 4.007 2.348 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.545 3.843 2.619 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.432 5.149 2.662 1.00 0.00 N ATOM 0 H ARG A 76 1.709 -2.913 2.514 1.00 0.00 H new ATOM 0 HA ARG A 76 4.045 -2.049 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.924 -1.109 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.592 -0.597 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.787 0.858 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.439 0.633 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.451 1.842 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.172 1.471 2.109 1.00 0.00 H new ATOM 0 HE ARG A 76 3.511 3.190 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.081 2.966 2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.018 4.593 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.423 5.279 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.902 5.897 3.109 1.00 0.00 H new ATOM 1134 N THR A 77 3.628 -0.543 4.246 1.00 0.00 N ATOM 1135 CA THR A 77 4.343 0.103 5.340 1.00 0.00 C ATOM 1136 C THR A 77 5.614 -0.660 5.693 1.00 0.00 C ATOM 1137 O THR A 77 6.683 -0.069 5.840 1.00 0.00 O ATOM 1138 CB THR A 77 3.460 0.217 6.597 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.226 0.867 6.272 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.175 0.995 7.692 1.00 0.00 C ATOM 0 H THR A 77 2.613 -0.533 4.341 1.00 0.00 H new ATOM 0 HA THR A 77 4.607 1.104 4.998 1.00 0.00 H new ATOM 0 HB THR A 77 3.255 -0.789 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.587 0.206 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.532 1.062 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.099 0.483 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.406 1.998 7.334 1.00 0.00 H new ATOM 1148 N ALA A 78 5.491 -1.976 5.826 1.00 0.00 N ATOM 1149 CA ALA A 78 6.632 -2.820 6.159 1.00 0.00 C ATOM 1150 C ALA A 78 7.670 -2.807 5.042 1.00 0.00 C ATOM 1151 O ALA A 78 8.821 -2.425 5.255 1.00 0.00 O ATOM 1152 CB ALA A 78 6.172 -4.244 6.437 1.00 0.00 C ATOM 0 H ALA A 78 4.613 -2.481 5.708 1.00 0.00 H new ATOM 0 HA ALA A 78 7.099 -2.418 7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.034 -4.863 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.473 -4.244 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.678 -4.646 5.552 1.00 0.00 H new ATOM 1158 N LEU A 79 7.256 -3.226 3.852 1.00 0.00 N ATOM 1159 CA LEU A 79 8.150 -3.263 2.700 1.00 0.00 C ATOM 1160 C LEU A 79 8.958 -1.973 2.597 1.00 0.00 C ATOM 1161 O LEU A 79 10.188 -2.001 2.527 1.00 0.00 O ATOM 1162 CB LEU A 79 7.350 -3.481 1.414 1.00 0.00 C ATOM 1163 CG LEU A 79 6.614 -4.817 1.301 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.656 -4.799 0.120 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.606 -5.963 1.169 1.00 0.00 C ATOM 0 H LEU A 79 6.307 -3.545 3.659 1.00 0.00 H new ATOM 0 HA LEU A 79 8.842 -4.094 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.619 -2.677 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.030 -3.390 0.567 1.00 0.00 H new ATOM 0 HG LEU A 79 6.034 -4.969 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.141 -5.757 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.925 -4.003 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.215 -4.624 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.064 -6.906 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.213 -5.817 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.252 -5.988 2.047 1.00 0.00 H new ATOM 1177 N LEU A 80 8.260 -0.843 2.589 1.00 0.00 N ATOM 1178 CA LEU A 80 8.911 0.459 2.497 1.00 0.00 C ATOM 1179 C LEU A 80 10.106 0.538 3.442 1.00 0.00 C ATOM 1180 O LEU A 80 11.216 0.876 3.031 1.00 0.00 O ATOM 1181 CB LEU A 80 7.916 1.574 2.821 1.00 0.00 C ATOM 1182 CG LEU A 80 6.669 1.638 1.937 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.762 2.778 2.375 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.060 1.797 0.475 1.00 0.00 C ATOM 0 H LEU A 80 7.242 -0.802 2.645 1.00 0.00 H new ATOM 0 HA LEU A 80 9.269 0.587 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.597 1.460 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.436 2.529 2.751 1.00 0.00 H new ATOM 0 HG LEU A 80 6.121 0.702 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.880 2.808 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.455 2.622 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.300 3.722 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.161 1.841 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.631 2.717 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.669 0.947 0.167 1.00 0.00 H new ATOM 1196 N LYS A 81 9.871 0.222 4.711 1.00 0.00 N ATOM 1197 CA LYS A 81 10.928 0.253 5.716 1.00 0.00 C ATOM 1198 C LYS A 81 12.174 -0.471 5.218 1.00 0.00 C ATOM 1199 O LYS A 81 13.297 -0.027 5.452 1.00 0.00 O ATOM 1200 CB LYS A 81 10.440 -0.385 7.018 1.00 0.00 C ATOM 1201 CG LYS A 81 9.411 0.452 7.758 1.00 0.00 C ATOM 1202 CD LYS A 81 9.389 0.126 9.242 1.00 0.00 C ATOM 1203 CE LYS A 81 8.702 1.220 10.043 1.00 0.00 C ATOM 1204 NZ LYS A 81 9.559 2.430 10.178 1.00 0.00 N ATOM 0 H LYS A 81 8.958 -0.059 5.068 1.00 0.00 H new ATOM 0 HA LYS A 81 11.186 1.295 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.009 -1.361 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.295 -0.556 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.634 1.510 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.423 0.277 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.872 -0.821 9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.410 -0.004 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.765 1.491 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.450 0.841 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.150 3.067 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.515 2.147 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.612 2.922 9.263 1.00 0.00 H new ATOM 1218 N ASN A 82 11.968 -1.589 4.528 1.00 0.00 N ATOM 1219 CA ASN A 82 13.075 -2.374 3.996 1.00 0.00 C ATOM 1220 C ASN A 82 13.665 -1.711 2.755 1.00 0.00 C ATOM 1221 O ASN A 82 14.876 -1.749 2.536 1.00 0.00 O ATOM 1222 CB ASN A 82 12.607 -3.791 3.657 1.00 0.00 C ATOM 1223 CG ASN A 82 13.736 -4.801 3.709 1.00 0.00 C ATOM 1224 OD1 ASN A 82 14.119 -5.374 2.689 1.00 0.00 O ATOM 1225 ND2 ASN A 82 14.275 -5.025 4.902 1.00 0.00 N ATOM 0 H ASN A 82 11.044 -1.971 4.325 1.00 0.00 H new ATOM 0 HA ASN A 82 13.850 -2.428 4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.824 -4.089 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.165 -3.796 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.038 -5.695 4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.926 -4.527 5.721 1.00 0.00 H new ATOM 1232 N ILE A 83 12.802 -1.105 1.948 1.00 0.00 N ATOM 1233 CA ILE A 83 13.238 -0.432 0.730 1.00 0.00 C ATOM 1234 C ILE A 83 14.533 0.339 0.962 1.00 0.00 C ATOM 1235 O ILE A 83 15.432 0.331 0.121 1.00 0.00 O ATOM 1236 CB ILE A 83 12.162 0.538 0.207 1.00 0.00 C ATOM 1237 CG1 ILE A 83 10.884 -0.225 -0.146 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.681 1.302 -1.002 1.00 0.00 C ATOM 1239 CD1 ILE A 83 11.068 -1.229 -1.262 1.00 0.00 C ATOM 0 H ILE A 83 11.797 -1.066 2.115 1.00 0.00 H new ATOM 0 HA ILE A 83 13.409 -1.208 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 83 11.928 1.256 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.523 -0.743 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.112 0.489 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.909 1.983 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 83 13.566 1.872 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.940 0.598 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.121 -1.732 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.399 -0.714 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.816 -1.965 -0.969 1.00 0.00 H new ATOM 1251 N LYS A 84 14.622 1.004 2.109 1.00 0.00 N ATOM 1252 CA LYS A 84 15.808 1.778 2.454 1.00 0.00 C ATOM 1253 C LYS A 84 17.063 0.914 2.381 1.00 0.00 C ATOM 1254 O LYS A 84 17.220 -0.034 3.151 1.00 0.00 O ATOM 1255 CB LYS A 84 15.664 2.370 3.858 1.00 0.00 C ATOM 1256 CG LYS A 84 14.947 3.709 3.884 1.00 0.00 C ATOM 1257 CD LYS A 84 14.638 4.149 5.305 1.00 0.00 C ATOM 1258 CE LYS A 84 13.469 5.121 5.345 1.00 0.00 C ATOM 1259 NZ LYS A 84 12.161 4.420 5.219 1.00 0.00 N ATOM 0 H LYS A 84 13.886 1.022 2.815 1.00 0.00 H new ATOM 0 HA LYS A 84 15.905 2.589 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.121 1.664 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.655 2.490 4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 84 15.564 4.463 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.020 3.638 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.408 3.276 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.519 4.620 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.493 5.680 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.572 5.846 4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.389 5.117 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.128 3.907 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.051 3.746 6.003 1.00 0.00 H new ATOM 1273 N SER A 85 17.953 1.247 1.452 1.00 0.00 N ATOM 1274 CA SER A 85 19.192 0.500 1.278 1.00 0.00 C ATOM 1275 C SER A 85 20.205 0.867 2.359 1.00 0.00 C ATOM 1276 O SER A 85 20.754 -0.003 3.032 1.00 0.00 O ATOM 1277 CB SER A 85 19.786 0.771 -0.106 1.00 0.00 C ATOM 1278 OG SER A 85 20.944 -0.015 -0.327 1.00 0.00 O ATOM 0 H SER A 85 17.839 2.030 0.808 1.00 0.00 H new ATOM 0 HA SER A 85 18.962 -0.562 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.043 0.553 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.037 1.828 -0.197 1.00 0.00 H new ATOM 0 HG SER A 85 21.303 0.176 -1.219 1.00 0.00 H new ATOM 1284 N GLY A 86 20.447 2.165 2.517 1.00 0.00 N ATOM 1285 CA GLY A 86 21.393 2.626 3.517 1.00 0.00 C ATOM 1286 C GLY A 86 20.712 3.294 4.695 1.00 0.00 C ATOM 1287 O GLY A 86 19.689 3.963 4.551 1.00 0.00 O ATOM 0 H GLY A 86 20.005 2.905 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 86 21.981 1.780 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 86 22.089 3.328 3.058 1.00 0.00 H new ATOM 1291 N PRO A 87 21.284 3.112 5.894 1.00 0.00 N ATOM 1292 CA PRO A 87 20.742 3.693 7.126 1.00 0.00 C ATOM 1293 C PRO A 87 20.900 5.209 7.171 1.00 0.00 C ATOM 1294 O PRO A 87 21.977 5.721 7.475 1.00 0.00 O ATOM 1295 CB PRO A 87 21.578 3.035 8.227 1.00 0.00 C ATOM 1296 CG PRO A 87 22.859 2.669 7.561 1.00 0.00 C ATOM 1297 CD PRO A 87 22.505 2.326 6.141 1.00 0.00 C ATOM 0 HA PRO A 87 19.671 3.516 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 87 21.746 3.719 9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 87 21.077 2.156 8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.568 3.496 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.331 1.823 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 87 23.304 2.597 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.327 1.258 6.018 1.00 0.00 H new ATOM 1305 N SER A 88 19.820 5.921 6.867 1.00 0.00 N ATOM 1306 CA SER A 88 19.841 7.379 6.870 1.00 0.00 C ATOM 1307 C SER A 88 20.184 7.916 8.256 1.00 0.00 C ATOM 1308 O SER A 88 21.154 8.654 8.425 1.00 0.00 O ATOM 1309 CB SER A 88 18.487 7.930 6.418 1.00 0.00 C ATOM 1310 OG SER A 88 18.164 7.483 5.113 1.00 0.00 O ATOM 0 H SER A 88 18.920 5.512 6.616 1.00 0.00 H new ATOM 0 HA SER A 88 20.611 7.708 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.711 7.615 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 88 18.510 9.020 6.437 1.00 0.00 H new ATOM 0 HG SER A 88 17.294 7.848 4.848 1.00 0.00 H new ATOM 1316 N SER A 89 19.381 7.537 9.245 1.00 0.00 N ATOM 1317 CA SER A 89 19.597 7.982 10.617 1.00 0.00 C ATOM 1318 C SER A 89 20.456 6.982 11.384 1.00 0.00 C ATOM 1319 O SER A 89 20.712 5.875 10.912 1.00 0.00 O ATOM 1320 CB SER A 89 18.256 8.173 11.330 1.00 0.00 C ATOM 1321 OG SER A 89 18.431 8.820 12.579 1.00 0.00 O ATOM 0 H SER A 89 18.576 6.923 9.122 1.00 0.00 H new ATOM 0 HA SER A 89 20.123 8.936 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.587 8.762 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.780 7.204 11.482 1.00 0.00 H new ATOM 0 HG SER A 89 17.560 8.932 13.014 1.00 0.00 H new ATOM 1327 N GLY A 90 20.899 7.381 12.573 1.00 0.00 N ATOM 1328 CA GLY A 90 21.725 6.509 13.387 1.00 0.00 C ATOM 1329 C GLY A 90 23.183 6.924 13.386 1.00 0.00 C ATOM 1330 O GLY A 90 23.764 7.178 14.441 1.00 0.00 O ATOM 0 H GLY A 90 20.700 8.292 12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.351 6.511 14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.641 5.487 13.019 1.00 0.00 H new TER 1334 GLY A 90