USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -70:sc= 1.1 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.708 USER MOD Set 2.1: A 22 THR OG1 : rot -83:sc= 1.16 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.19 K(o=2.4,f=-5.3!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.149 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.23 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 1.14 K(o=1.1,f=0.0054) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= 1.02 (180deg=0.741) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.25) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -58:sc= 0.0555 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.93 (180deg=1.17!) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.02) USER MOD Single : A 31 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.18) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 0.991 K(o=0.99,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.018 (180deg=-0.2) USER MOD Single : A 49 GLN : amide:sc= 0.978 K(o=0.98,f=-5.1!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.458 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.779 51.945 19.371 1.00 0.00 N ATOM 2 CA MET A 1 32.995 52.329 20.775 1.00 0.00 C ATOM 3 C MET A 1 34.450 52.741 21.009 1.00 0.00 C ATOM 4 O MET A 1 35.352 52.198 20.375 1.00 0.00 O ATOM 5 CB MET A 1 32.566 51.236 21.750 1.00 0.00 C ATOM 6 CG MET A 1 33.340 49.926 21.632 1.00 0.00 C ATOM 7 SD MET A 1 32.985 48.728 22.943 1.00 0.00 S ATOM 8 CE MET A 1 34.246 47.490 22.551 1.00 0.00 C ATOM 0 H1 MET A 1 31.782 51.686 19.232 1.00 0.00 H new ATOM 0 H2 MET A 1 33.019 52.745 18.751 1.00 0.00 H new ATOM 0 H3 MET A 1 33.384 51.132 19.136 1.00 0.00 H new ATOM 0 HA MET A 1 32.358 53.191 20.973 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.674 51.614 22.767 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.507 51.030 21.598 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.114 49.470 20.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.407 50.147 21.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.180 46.666 23.261 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.084 47.113 21.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.234 47.945 22.614 1.00 0.00 H new ATOM 20 N GLN A 2 34.679 53.653 21.950 1.00 0.00 N ATOM 21 CA GLN A 2 35.990 54.073 22.399 1.00 0.00 C ATOM 22 C GLN A 2 36.529 53.112 23.460 1.00 0.00 C ATOM 23 O GLN A 2 35.770 52.737 24.352 1.00 0.00 O ATOM 24 CB GLN A 2 35.887 55.499 22.934 1.00 0.00 C ATOM 25 CG GLN A 2 37.218 56.071 23.414 1.00 0.00 C ATOM 26 CD GLN A 2 37.149 57.578 23.671 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.082 58.058 24.801 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.172 58.386 22.616 1.00 0.00 N ATOM 0 H GLN A 2 33.922 54.135 22.436 1.00 0.00 H new ATOM 0 HA GLN A 2 36.694 54.055 21.567 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.486 56.143 22.152 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.175 55.518 23.759 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.519 55.563 24.330 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.987 55.867 22.669 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.228 57.995 21.675 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.134 59.397 22.747 1.00 0.00 H new ATOM 37 N ILE A 3 37.810 52.756 23.421 1.00 0.00 N ATOM 38 CA ILE A 3 38.527 52.019 24.441 1.00 0.00 C ATOM 39 C ILE A 3 39.975 52.499 24.550 1.00 0.00 C ATOM 40 O ILE A 3 40.423 53.264 23.697 1.00 0.00 O ATOM 41 CB ILE A 3 38.452 50.513 24.205 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.119 50.097 22.897 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.030 49.977 24.339 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.008 48.608 22.585 1.00 0.00 C ATOM 0 H ILE A 3 38.405 52.991 22.627 1.00 0.00 H new ATOM 0 HA ILE A 3 38.039 52.218 25.395 1.00 0.00 H new ATOM 0 HB ILE A 3 39.030 50.043 25.001 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.673 50.663 22.079 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.173 50.371 22.936 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.028 48.901 24.162 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.658 50.180 25.343 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.386 50.466 23.607 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.507 48.396 21.640 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.480 48.033 23.382 1.00 0.00 H new ATOM 0 HD13 ILE A 3 37.957 48.329 22.511 1.00 0.00 H new ATOM 56 N PHE A 4 40.724 52.060 25.558 1.00 0.00 N ATOM 57 CA PHE A 4 42.070 52.521 25.826 1.00 0.00 C ATOM 58 C PHE A 4 43.096 51.408 26.049 1.00 0.00 C ATOM 59 O PHE A 4 42.776 50.347 26.580 1.00 0.00 O ATOM 60 CB PHE A 4 42.066 53.452 27.035 1.00 0.00 C ATOM 61 CG PHE A 4 41.131 54.634 26.942 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.470 55.729 26.138 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.938 54.648 27.674 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.618 56.839 26.071 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.082 55.753 27.603 1.00 0.00 C ATOM 66 CZ PHE A 4 39.426 56.851 26.806 1.00 0.00 C ATOM 0 H PHE A 4 40.398 51.358 26.222 1.00 0.00 H new ATOM 0 HA PHE A 4 42.384 53.044 24.923 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.802 52.871 27.918 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.079 53.824 27.189 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.388 55.718 25.570 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.677 53.804 28.295 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.880 57.685 25.453 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.158 55.758 28.162 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.771 57.709 26.758 1.00 0.00 H new ATOM 76 N VAL A 5 44.356 51.670 25.713 1.00 0.00 N ATOM 77 CA VAL A 5 45.490 50.797 25.944 1.00 0.00 C ATOM 78 C VAL A 5 46.626 51.548 26.641 1.00 0.00 C ATOM 79 O VAL A 5 46.973 52.649 26.221 1.00 0.00 O ATOM 80 CB VAL A 5 45.969 50.173 24.637 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.148 49.226 24.849 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.867 49.367 23.955 1.00 0.00 C ATOM 0 H VAL A 5 44.621 52.540 25.251 1.00 0.00 H new ATOM 0 HA VAL A 5 45.167 49.992 26.604 1.00 0.00 H new ATOM 0 HB VAL A 5 46.269 51.014 24.012 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.454 48.806 23.891 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.981 49.775 25.288 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.851 48.420 25.520 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.249 48.940 23.028 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.540 48.565 24.617 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.023 50.020 23.732 1.00 0.00 H new ATOM 92 N LYS A 6 47.219 50.957 27.674 1.00 0.00 N ATOM 93 CA LYS A 6 48.316 51.471 28.471 1.00 0.00 C ATOM 94 C LYS A 6 49.591 50.651 28.269 1.00 0.00 C ATOM 95 O LYS A 6 49.524 49.424 28.244 1.00 0.00 O ATOM 96 CB LYS A 6 47.862 51.496 29.928 1.00 0.00 C ATOM 97 CG LYS A 6 48.897 51.885 30.980 1.00 0.00 C ATOM 98 CD LYS A 6 49.510 53.271 30.797 1.00 0.00 C ATOM 99 CE LYS A 6 50.324 53.714 32.008 1.00 0.00 C ATOM 100 NZ LYS A 6 51.454 52.819 32.299 1.00 0.00 N ATOM 0 H LYS A 6 46.919 50.037 27.996 1.00 0.00 H new ATOM 0 HA LYS A 6 48.571 52.483 28.155 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.024 52.189 30.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.482 50.506 30.179 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.430 51.837 31.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.698 51.146 30.972 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.150 53.268 29.915 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.716 53.995 30.613 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.701 54.722 31.836 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.672 53.762 32.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 52.152 53.320 32.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 51.110 51.981 32.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.900 52.522 31.408 1.00 0.00 H new ATOM 114 N THR A 7 50.742 51.310 28.154 1.00 0.00 N ATOM 115 CA THR A 7 52.048 50.699 28.005 1.00 0.00 C ATOM 116 C THR A 7 52.972 50.921 29.203 1.00 0.00 C ATOM 117 O THR A 7 52.827 51.888 29.950 1.00 0.00 O ATOM 118 CB THR A 7 52.733 51.095 26.700 1.00 0.00 C ATOM 119 OG1 THR A 7 53.351 52.361 26.762 1.00 0.00 O ATOM 120 CG2 THR A 7 51.791 51.114 25.500 1.00 0.00 C ATOM 0 H THR A 7 50.785 52.329 28.163 1.00 0.00 H new ATOM 0 HA THR A 7 51.851 49.628 27.965 1.00 0.00 H new ATOM 0 HB THR A 7 53.484 50.317 26.565 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.774 52.561 25.901 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.345 51.404 24.607 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.365 50.121 25.356 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.989 51.831 25.678 1.00 0.00 H new ATOM 128 N LEU A 8 53.940 50.028 29.390 1.00 0.00 N ATOM 129 CA LEU A 8 54.858 50.018 30.512 1.00 0.00 C ATOM 130 C LEU A 8 55.789 51.232 30.539 1.00 0.00 C ATOM 131 O LEU A 8 56.069 51.773 31.606 1.00 0.00 O ATOM 132 CB LEU A 8 55.648 48.714 30.476 1.00 0.00 C ATOM 133 CG LEU A 8 56.607 48.502 31.644 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.879 48.392 32.980 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.404 47.218 31.428 1.00 0.00 C ATOM 0 H LEU A 8 54.108 49.264 28.735 1.00 0.00 H new ATOM 0 HA LEU A 8 54.276 50.083 31.432 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.944 47.882 30.449 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.218 48.679 29.548 1.00 0.00 H new ATOM 0 HG LEU A 8 57.263 49.372 31.679 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.605 48.242 33.779 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.319 49.309 33.166 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.191 47.547 32.951 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.088 47.069 32.264 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.720 46.372 31.364 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.974 47.295 30.502 1.00 0.00 H new ATOM 147 N THR A 9 56.215 51.711 29.372 1.00 0.00 N ATOM 148 CA THR A 9 56.974 52.935 29.216 1.00 0.00 C ATOM 149 C THR A 9 56.119 54.202 29.281 1.00 0.00 C ATOM 150 O THR A 9 56.625 55.297 29.055 1.00 0.00 O ATOM 151 CB THR A 9 57.854 52.915 27.968 1.00 0.00 C ATOM 152 OG1 THR A 9 57.068 52.747 26.810 1.00 0.00 O ATOM 153 CG2 THR A 9 58.903 51.807 27.991 1.00 0.00 C ATOM 0 H THR A 9 56.032 51.239 28.487 1.00 0.00 H new ATOM 0 HA THR A 9 57.633 52.974 30.083 1.00 0.00 H new ATOM 0 HB THR A 9 58.369 53.875 27.956 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.647 52.738 26.020 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.495 51.847 27.077 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.557 51.943 28.853 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.408 50.838 28.060 1.00 0.00 H new ATOM 161 N GLY A 10 54.839 54.087 29.626 1.00 0.00 N ATOM 162 CA GLY A 10 54.021 55.179 30.112 1.00 0.00 C ATOM 163 C GLY A 10 53.005 55.759 29.126 1.00 0.00 C ATOM 164 O GLY A 10 52.333 56.723 29.485 1.00 0.00 O ATOM 0 H GLY A 10 54.334 53.203 29.571 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.482 54.836 30.995 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.682 55.984 30.435 1.00 0.00 H new ATOM 168 N LYS A 11 52.857 55.212 27.923 1.00 0.00 N ATOM 169 CA LYS A 11 51.972 55.761 26.915 1.00 0.00 C ATOM 170 C LYS A 11 50.540 55.241 27.053 1.00 0.00 C ATOM 171 O LYS A 11 50.331 54.093 27.437 1.00 0.00 O ATOM 172 CB LYS A 11 52.568 55.526 25.530 1.00 0.00 C ATOM 173 CG LYS A 11 51.997 56.491 24.496 1.00 0.00 C ATOM 174 CD LYS A 11 52.812 56.467 23.207 1.00 0.00 C ATOM 175 CE LYS A 11 52.297 57.527 22.239 1.00 0.00 C ATOM 176 NZ LYS A 11 53.154 57.616 21.047 1.00 0.00 N ATOM 0 H LYS A 11 53.352 54.372 27.624 1.00 0.00 H new ATOM 0 HA LYS A 11 51.892 56.838 27.065 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.651 55.642 25.576 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.370 54.500 25.218 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.962 56.225 24.280 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.988 57.502 24.904 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.864 56.647 23.430 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.748 55.481 22.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.277 57.286 21.940 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.263 58.495 22.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.821 58.390 20.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.135 57.802 21.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.113 56.719 20.522 1.00 0.00 H new ATOM 190 N THR A 12 49.565 56.078 26.712 1.00 0.00 N ATOM 191 CA THR A 12 48.154 55.747 26.661 1.00 0.00 C ATOM 192 C THR A 12 47.626 56.003 25.248 1.00 0.00 C ATOM 193 O THR A 12 47.862 57.071 24.687 1.00 0.00 O ATOM 194 CB THR A 12 47.343 56.538 27.683 1.00 0.00 C ATOM 195 OG1 THR A 12 47.839 56.303 28.981 1.00 0.00 O ATOM 196 CG2 THR A 12 45.869 56.144 27.714 1.00 0.00 C ATOM 0 H THR A 12 49.750 57.047 26.453 1.00 0.00 H new ATOM 0 HA THR A 12 48.043 54.692 26.913 1.00 0.00 H new ATOM 0 HB THR A 12 47.434 57.582 27.383 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.314 56.816 29.630 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.348 56.743 28.461 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.425 56.319 26.734 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.780 55.088 27.969 1.00 0.00 H new ATOM 204 N ILE A 13 46.922 55.035 24.669 1.00 0.00 N ATOM 205 CA ILE A 13 46.435 55.054 23.304 1.00 0.00 C ATOM 206 C ILE A 13 44.917 54.858 23.296 1.00 0.00 C ATOM 207 O ILE A 13 44.408 53.939 23.934 1.00 0.00 O ATOM 208 CB ILE A 13 47.153 54.007 22.456 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.664 54.222 22.425 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.633 54.014 21.021 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.445 53.402 23.447 1.00 0.00 C ATOM 0 H ILE A 13 46.667 54.181 25.165 1.00 0.00 H new ATOM 0 HA ILE A 13 46.653 56.024 22.857 1.00 0.00 H new ATOM 0 HB ILE A 13 46.946 53.045 22.925 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.031 53.980 21.428 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.871 55.279 22.593 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.161 53.259 20.439 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.566 53.792 21.020 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.800 54.996 20.578 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.509 53.619 23.352 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.111 53.659 24.452 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.274 52.340 23.269 1.00 0.00 H new ATOM 223 N THR A 14 44.206 55.702 22.555 1.00 0.00 N ATOM 224 CA THR A 14 42.776 55.615 22.338 1.00 0.00 C ATOM 225 C THR A 14 42.495 54.824 21.058 1.00 0.00 C ATOM 226 O THR A 14 43.123 55.082 20.034 1.00 0.00 O ATOM 227 CB THR A 14 42.143 56.999 22.227 1.00 0.00 C ATOM 228 OG1 THR A 14 42.553 57.828 23.291 1.00 0.00 O ATOM 229 CG2 THR A 14 40.619 56.939 22.279 1.00 0.00 C ATOM 0 H THR A 14 44.632 56.494 22.073 1.00 0.00 H new ATOM 0 HA THR A 14 42.337 55.106 23.196 1.00 0.00 H new ATOM 0 HB THR A 14 42.470 57.398 21.267 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.314 57.408 24.144 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.212 57.947 22.197 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.250 56.330 21.453 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.304 56.497 23.224 1.00 0.00 H new ATOM 237 N LEU A 15 41.552 53.887 21.094 1.00 0.00 N ATOM 238 CA LEU A 15 41.114 53.106 19.955 1.00 0.00 C ATOM 239 C LEU A 15 39.596 53.193 19.788 1.00 0.00 C ATOM 240 O LEU A 15 38.865 53.245 20.775 1.00 0.00 O ATOM 241 CB LEU A 15 41.566 51.657 20.115 1.00 0.00 C ATOM 242 CG LEU A 15 43.073 51.433 20.202 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.351 49.960 20.484 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.801 51.788 18.909 1.00 0.00 C ATOM 0 H LEU A 15 41.057 53.646 21.953 1.00 0.00 H new ATOM 0 HA LEU A 15 41.569 53.514 19.052 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.106 51.251 21.016 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.181 51.082 19.273 1.00 0.00 H new ATOM 0 HG LEU A 15 43.436 52.082 20.999 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.427 49.798 20.546 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.886 49.676 21.428 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.939 49.351 19.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.869 51.608 19.032 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.420 51.170 18.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.635 52.839 18.675 1.00 0.00 H new ATOM 256 N GLU A 16 39.121 53.191 18.546 1.00 0.00 N ATOM 257 CA GLU A 16 37.727 53.358 18.188 1.00 0.00 C ATOM 258 C GLU A 16 37.274 52.166 17.343 1.00 0.00 C ATOM 259 O GLU A 16 37.469 52.150 16.129 1.00 0.00 O ATOM 260 CB GLU A 16 37.564 54.684 17.451 1.00 0.00 C ATOM 261 CG GLU A 16 37.857 55.934 18.278 1.00 0.00 C ATOM 262 CD GLU A 16 36.744 56.368 19.233 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.591 55.904 19.088 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.981 57.272 20.063 1.00 0.00 O ATOM 0 H GLU A 16 39.725 53.068 17.734 1.00 0.00 H new ATOM 0 HA GLU A 16 37.097 53.387 19.077 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.223 54.681 16.583 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.543 54.748 17.076 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.763 55.760 18.859 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.069 56.758 17.596 1.00 0.00 H new ATOM 271 N VAL A 17 36.718 51.134 17.971 1.00 0.00 N ATOM 272 CA VAL A 17 36.506 49.812 17.417 1.00 0.00 C ATOM 273 C VAL A 17 35.140 49.224 17.779 1.00 0.00 C ATOM 274 O VAL A 17 34.431 49.787 18.609 1.00 0.00 O ATOM 275 CB VAL A 17 37.614 48.855 17.847 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.979 49.259 17.297 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.731 48.699 19.360 1.00 0.00 C ATOM 0 H VAL A 17 36.387 51.208 18.933 1.00 0.00 H new ATOM 0 HA VAL A 17 36.530 49.931 16.334 1.00 0.00 H new ATOM 0 HB VAL A 17 37.316 47.896 17.422 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.732 48.546 17.632 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.945 49.266 16.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.236 50.255 17.658 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.538 48.005 19.593 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.945 49.668 19.810 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.793 48.312 19.759 1.00 0.00 H new ATOM 287 N GLU A 18 34.755 48.096 17.188 1.00 0.00 N ATOM 288 CA GLU A 18 33.550 47.374 17.546 1.00 0.00 C ATOM 289 C GLU A 18 33.817 46.283 18.584 1.00 0.00 C ATOM 290 O GLU A 18 34.918 45.739 18.623 1.00 0.00 O ATOM 291 CB GLU A 18 32.909 46.722 16.325 1.00 0.00 C ATOM 292 CG GLU A 18 32.592 47.647 15.154 1.00 0.00 C ATOM 293 CD GLU A 18 31.804 48.893 15.559 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.869 48.804 16.383 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.122 49.978 15.027 1.00 0.00 O ATOM 0 H GLU A 18 35.284 47.656 16.435 1.00 0.00 H new ATOM 0 HA GLU A 18 32.874 48.116 17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.573 45.935 15.969 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.984 46.240 16.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.525 47.954 14.681 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.023 47.093 14.407 1.00 0.00 H new ATOM 302 N PRO A 19 32.816 45.840 19.342 1.00 0.00 N ATOM 303 CA PRO A 19 32.895 44.633 20.139 1.00 0.00 C ATOM 304 C PRO A 19 33.173 43.346 19.357 1.00 0.00 C ATOM 305 O PRO A 19 33.488 42.324 19.962 1.00 0.00 O ATOM 306 CB PRO A 19 31.561 44.527 20.872 1.00 0.00 C ATOM 307 CG PRO A 19 31.027 45.957 20.889 1.00 0.00 C ATOM 308 CD PRO A 19 31.560 46.523 19.575 1.00 0.00 C ATOM 0 HA PRO A 19 33.753 44.721 20.805 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.877 43.853 20.357 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.692 44.139 21.882 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.938 45.983 20.930 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.392 46.517 21.750 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.860 46.346 18.759 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.706 47.601 19.642 1.00 0.00 H new ATOM 316 N SER A 20 33.054 43.387 18.033 1.00 0.00 N ATOM 317 CA SER A 20 33.363 42.324 17.098 1.00 0.00 C ATOM 318 C SER A 20 34.793 42.345 16.557 1.00 0.00 C ATOM 319 O SER A 20 35.173 41.397 15.874 1.00 0.00 O ATOM 320 CB SER A 20 32.371 42.353 15.940 1.00 0.00 C ATOM 321 OG SER A 20 32.540 43.505 15.143 1.00 0.00 O ATOM 0 H SER A 20 32.715 44.224 17.559 1.00 0.00 H new ATOM 0 HA SER A 20 33.276 41.397 17.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.501 41.462 15.326 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.354 42.325 16.330 1.00 0.00 H new ATOM 0 HG SER A 20 31.891 43.493 14.409 1.00 0.00 H new ATOM 327 N ASP A 21 35.599 43.370 16.826 1.00 0.00 N ATOM 328 CA ASP A 21 36.992 43.378 16.427 1.00 0.00 C ATOM 329 C ASP A 21 37.754 42.252 17.131 1.00 0.00 C ATOM 330 O ASP A 21 37.650 42.091 18.344 1.00 0.00 O ATOM 331 CB ASP A 21 37.652 44.727 16.699 1.00 0.00 C ATOM 332 CG ASP A 21 37.395 45.760 15.600 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.322 46.067 14.821 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.254 46.248 15.450 1.00 0.00 O ATOM 0 H ASP A 21 35.301 44.209 17.323 1.00 0.00 H new ATOM 0 HA ASP A 21 37.029 43.210 15.351 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.285 45.118 17.648 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.727 44.582 16.808 1.00 0.00 H new ATOM 339 N THR A 22 38.529 41.477 16.378 1.00 0.00 N ATOM 340 CA THR A 22 39.407 40.475 16.947 1.00 0.00 C ATOM 341 C THR A 22 40.599 41.131 17.647 1.00 0.00 C ATOM 342 O THR A 22 40.980 42.248 17.304 1.00 0.00 O ATOM 343 CB THR A 22 39.908 39.436 15.948 1.00 0.00 C ATOM 344 OG1 THR A 22 40.746 40.010 14.970 1.00 0.00 O ATOM 345 CG2 THR A 22 38.780 38.704 15.226 1.00 0.00 C ATOM 0 H THR A 22 38.562 41.530 15.360 1.00 0.00 H new ATOM 0 HA THR A 22 38.793 39.937 17.669 1.00 0.00 H new ATOM 0 HB THR A 22 40.465 38.719 16.551 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.198 40.408 14.262 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.203 37.979 14.530 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.157 38.186 15.955 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.173 39.423 14.676 1.00 0.00 H new ATOM 353 N ILE A 23 41.251 40.432 18.572 1.00 0.00 N ATOM 354 CA ILE A 23 42.466 40.919 19.194 1.00 0.00 C ATOM 355 C ILE A 23 43.578 41.122 18.162 1.00 0.00 C ATOM 356 O ILE A 23 44.364 42.054 18.316 1.00 0.00 O ATOM 357 CB ILE A 23 42.834 40.026 20.375 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.812 40.063 21.506 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.235 40.294 20.919 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.629 41.400 22.222 1.00 0.00 C ATOM 0 H ILE A 23 40.949 39.517 18.906 1.00 0.00 H new ATOM 0 HA ILE A 23 42.303 41.914 19.609 1.00 0.00 H new ATOM 0 HB ILE A 23 42.826 39.018 19.959 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.846 39.758 21.102 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.097 39.316 22.247 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.434 39.626 21.757 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.970 40.119 20.133 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.303 41.328 21.256 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.876 41.294 23.003 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.575 41.706 22.668 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.305 42.155 21.506 1.00 0.00 H new ATOM 372 N GLU A 24 43.607 40.383 17.057 1.00 0.00 N ATOM 373 CA GLU A 24 44.455 40.690 15.923 1.00 0.00 C ATOM 374 C GLU A 24 44.116 42.041 15.288 1.00 0.00 C ATOM 375 O GLU A 24 45.022 42.831 15.036 1.00 0.00 O ATOM 376 CB GLU A 24 44.386 39.560 14.900 1.00 0.00 C ATOM 377 CG GLU A 24 45.253 39.808 13.668 1.00 0.00 C ATOM 378 CD GLU A 24 45.157 38.657 12.665 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.086 38.465 12.049 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.157 37.930 12.483 1.00 0.00 O ATOM 0 H GLU A 24 43.035 39.548 16.928 1.00 0.00 H new ATOM 0 HA GLU A 24 45.479 40.774 16.287 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.699 38.630 15.375 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.351 39.426 14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.944 40.736 13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.291 39.938 13.974 1.00 0.00 H new ATOM 387 N ASN A 25 42.843 42.361 15.076 1.00 0.00 N ATOM 388 CA ASN A 25 42.436 43.652 14.558 1.00 0.00 C ATOM 389 C ASN A 25 42.818 44.790 15.505 1.00 0.00 C ATOM 390 O ASN A 25 43.295 45.828 15.052 1.00 0.00 O ATOM 391 CB ASN A 25 40.941 43.692 14.254 1.00 0.00 C ATOM 392 CG ASN A 25 40.454 42.639 13.257 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.509 41.897 13.515 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.087 42.535 12.091 1.00 0.00 N ATOM 0 H ASN A 25 42.066 41.726 15.261 1.00 0.00 H new ATOM 0 HA ASN A 25 42.976 43.797 13.622 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.393 43.567 15.188 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.691 44.680 13.867 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.788 41.838 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.871 43.152 11.880 1.00 0.00 H new ATOM 401 N VAL A 26 42.669 44.600 16.813 1.00 0.00 N ATOM 402 CA VAL A 26 43.103 45.559 17.810 1.00 0.00 C ATOM 403 C VAL A 26 44.617 45.767 17.739 1.00 0.00 C ATOM 404 O VAL A 26 45.068 46.908 17.660 1.00 0.00 O ATOM 405 CB VAL A 26 42.640 45.153 19.206 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.103 46.133 20.279 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.117 45.113 19.301 1.00 0.00 C ATOM 0 H VAL A 26 42.238 43.765 17.209 1.00 0.00 H new ATOM 0 HA VAL A 26 42.634 46.518 17.591 1.00 0.00 H new ATOM 0 HB VAL A 26 43.076 44.168 19.373 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.748 45.799 21.254 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.192 46.178 20.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.700 47.123 20.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.823 44.820 20.309 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.712 46.100 19.077 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.727 44.390 18.585 1.00 0.00 H new ATOM 417 N LYS A 27 45.403 44.698 17.653 1.00 0.00 N ATOM 418 CA LYS A 27 46.845 44.755 17.517 1.00 0.00 C ATOM 419 C LYS A 27 47.300 45.448 16.230 1.00 0.00 C ATOM 420 O LYS A 27 48.253 46.223 16.263 1.00 0.00 O ATOM 421 CB LYS A 27 47.421 43.347 17.626 1.00 0.00 C ATOM 422 CG LYS A 27 47.395 42.832 19.063 1.00 0.00 C ATOM 423 CD LYS A 27 47.634 41.331 19.198 1.00 0.00 C ATOM 424 CE LYS A 27 48.841 40.840 18.405 1.00 0.00 C ATOM 425 NZ LYS A 27 49.346 39.566 18.939 1.00 0.00 N ATOM 0 H LYS A 27 45.040 43.745 17.677 1.00 0.00 H new ATOM 0 HA LYS A 27 47.230 45.369 18.331 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.852 42.671 16.988 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.447 43.345 17.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.153 43.362 19.640 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.429 43.075 19.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.775 41.086 20.251 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.745 40.797 18.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.565 40.715 17.358 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.631 41.590 18.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.805 39.027 18.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 50.037 39.755 19.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.554 39.013 19.325 1.00 0.00 H new ATOM 439 N ALA A 28 46.602 45.242 15.117 1.00 0.00 N ATOM 440 CA ALA A 28 46.864 45.912 13.859 1.00 0.00 C ATOM 441 C ALA A 28 46.514 47.402 13.881 1.00 0.00 C ATOM 442 O ALA A 28 47.103 48.186 13.140 1.00 0.00 O ATOM 443 CB ALA A 28 46.101 45.177 12.761 1.00 0.00 C ATOM 0 H ALA A 28 45.821 44.588 15.070 1.00 0.00 H new ATOM 0 HA ALA A 28 47.936 45.877 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.283 45.664 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.440 44.142 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.034 45.199 12.982 1.00 0.00 H new ATOM 449 N LYS A 29 45.600 47.834 14.746 1.00 0.00 N ATOM 450 CA LYS A 29 45.261 49.228 14.952 1.00 0.00 C ATOM 451 C LYS A 29 46.225 49.922 15.916 1.00 0.00 C ATOM 452 O LYS A 29 46.611 51.064 15.682 1.00 0.00 O ATOM 453 CB LYS A 29 43.794 49.336 15.358 1.00 0.00 C ATOM 454 CG LYS A 29 42.889 48.942 14.193 1.00 0.00 C ATOM 455 CD LYS A 29 41.413 48.848 14.574 1.00 0.00 C ATOM 456 CE LYS A 29 40.641 48.415 13.331 1.00 0.00 C ATOM 457 NZ LYS A 29 39.186 48.385 13.547 1.00 0.00 N ATOM 0 H LYS A 29 45.062 47.200 15.337 1.00 0.00 H new ATOM 0 HA LYS A 29 45.382 49.772 14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.598 48.690 16.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.571 50.356 15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.004 49.672 13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.216 47.980 13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.271 48.130 15.382 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.049 49.810 14.935 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.868 49.097 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.979 47.425 13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.702 48.252 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.946 47.599 14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.880 49.283 13.973 1.00 0.00 H new ATOM 471 N ILE A 30 46.728 49.206 16.918 1.00 0.00 N ATOM 472 CA ILE A 30 47.869 49.611 17.714 1.00 0.00 C ATOM 473 C ILE A 30 49.110 49.767 16.833 1.00 0.00 C ATOM 474 O ILE A 30 49.841 50.745 16.973 1.00 0.00 O ATOM 475 CB ILE A 30 48.105 48.643 18.871 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.947 48.685 19.864 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.415 48.935 19.595 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.918 47.510 20.838 1.00 0.00 C ATOM 0 H ILE A 30 46.339 48.306 17.201 1.00 0.00 H new ATOM 0 HA ILE A 30 47.655 50.585 18.155 1.00 0.00 H new ATOM 0 HB ILE A 30 48.169 47.644 18.440 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.004 49.613 20.433 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.008 48.707 19.310 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.546 48.225 20.411 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.246 48.841 18.896 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.391 49.948 19.996 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.066 47.615 21.509 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.828 46.578 20.281 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.839 47.497 21.421 1.00 0.00 H new ATOM 490 N GLN A 31 49.337 48.873 15.875 1.00 0.00 N ATOM 491 CA GLN A 31 50.399 48.993 14.896 1.00 0.00 C ATOM 492 C GLN A 31 50.246 50.228 14.005 1.00 0.00 C ATOM 493 O GLN A 31 51.234 50.917 13.759 1.00 0.00 O ATOM 494 CB GLN A 31 50.436 47.713 14.067 1.00 0.00 C ATOM 495 CG GLN A 31 51.590 47.640 13.072 1.00 0.00 C ATOM 496 CD GLN A 31 51.479 46.408 12.171 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.473 45.702 12.138 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.510 46.081 11.398 1.00 0.00 N ATOM 0 H GLN A 31 48.774 48.030 15.760 1.00 0.00 H new ATOM 0 HA GLN A 31 51.344 49.127 15.422 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.499 46.859 14.742 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.496 47.620 13.523 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.600 48.541 12.458 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.536 47.612 13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.356 46.651 11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.455 45.260 10.795 1.00 0.00 H new ATOM 507 N ASP A 32 49.039 50.549 13.550 1.00 0.00 N ATOM 508 CA ASP A 32 48.763 51.729 12.756 1.00 0.00 C ATOM 509 C ASP A 32 49.080 53.035 13.486 1.00 0.00 C ATOM 510 O ASP A 32 49.615 53.958 12.876 1.00 0.00 O ATOM 511 CB ASP A 32 47.311 51.688 12.289 1.00 0.00 C ATOM 512 CG ASP A 32 46.985 52.814 11.304 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.405 53.840 11.720 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.331 52.684 10.110 1.00 0.00 O ATOM 0 H ASP A 32 48.212 49.980 13.730 1.00 0.00 H new ATOM 0 HA ASP A 32 49.428 51.714 11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.111 50.726 11.817 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.651 51.762 13.154 1.00 0.00 H new ATOM 519 N LYS A 33 48.816 53.119 14.787 1.00 0.00 N ATOM 520 CA LYS A 33 49.120 54.286 15.590 1.00 0.00 C ATOM 521 C LYS A 33 50.559 54.331 16.109 1.00 0.00 C ATOM 522 O LYS A 33 51.169 55.397 16.073 1.00 0.00 O ATOM 523 CB LYS A 33 48.103 54.441 16.715 1.00 0.00 C ATOM 524 CG LYS A 33 46.714 54.742 16.158 1.00 0.00 C ATOM 525 CD LYS A 33 45.737 55.208 17.233 1.00 0.00 C ATOM 526 CE LYS A 33 44.396 55.524 16.577 1.00 0.00 C ATOM 527 NZ LYS A 33 43.456 56.146 17.522 1.00 0.00 N ATOM 0 H LYS A 33 48.378 52.364 15.315 1.00 0.00 H new ATOM 0 HA LYS A 33 49.039 55.145 14.924 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.071 53.528 17.309 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.413 55.245 17.383 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.794 55.510 15.388 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.319 53.848 15.676 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.613 54.435 17.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.127 56.091 17.739 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.555 56.192 15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.960 54.606 16.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.514 56.205 17.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.402 55.571 18.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.787 57.102 17.762 1.00 0.00 H new ATOM 541 N GLU A 34 51.111 53.220 16.588 1.00 0.00 N ATOM 542 CA GLU A 34 52.333 53.182 17.365 1.00 0.00 C ATOM 543 C GLU A 34 53.488 52.412 16.722 1.00 0.00 C ATOM 544 O GLU A 34 54.596 52.413 17.255 1.00 0.00 O ATOM 545 CB GLU A 34 52.031 52.615 18.749 1.00 0.00 C ATOM 546 CG GLU A 34 51.037 53.428 19.574 1.00 0.00 C ATOM 547 CD GLU A 34 51.496 54.868 19.814 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.701 55.076 20.070 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.671 55.805 19.748 1.00 0.00 O ATOM 0 H GLU A 34 50.703 52.297 16.438 1.00 0.00 H new ATOM 0 HA GLU A 34 52.681 54.213 17.425 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.643 51.603 18.634 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.965 52.537 19.306 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.074 53.440 19.064 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.883 52.937 20.535 1.00 0.00 H new ATOM 556 N GLY A 35 53.266 51.739 15.597 1.00 0.00 N ATOM 557 CA GLY A 35 54.289 51.034 14.853 1.00 0.00 C ATOM 558 C GLY A 35 54.823 49.754 15.498 1.00 0.00 C ATOM 559 O GLY A 35 55.847 49.249 15.045 1.00 0.00 O ATOM 0 H GLY A 35 52.342 51.671 15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.888 50.783 13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.126 51.713 14.692 1.00 0.00 H new ATOM 563 N ILE A 36 54.170 49.237 16.536 1.00 0.00 N ATOM 564 CA ILE A 36 54.593 48.074 17.289 1.00 0.00 C ATOM 565 C ILE A 36 54.230 46.809 16.509 1.00 0.00 C ATOM 566 O ILE A 36 53.050 46.638 16.209 1.00 0.00 O ATOM 567 CB ILE A 36 53.971 48.057 18.682 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.226 49.337 19.470 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.512 46.862 19.462 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.321 49.507 20.687 1.00 0.00 C ATOM 0 H ILE A 36 53.299 49.637 16.884 1.00 0.00 H new ATOM 0 HA ILE A 36 55.674 48.115 17.424 1.00 0.00 H new ATOM 0 HB ILE A 36 52.892 47.978 18.549 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.265 49.348 19.798 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.092 50.192 18.808 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.069 46.847 20.458 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.258 45.940 18.938 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.596 46.944 19.548 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.564 50.441 21.194 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.280 49.529 20.366 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.472 48.672 21.372 1.00 0.00 H new ATOM 582 N PRO A 37 55.150 45.896 16.212 1.00 0.00 N ATOM 583 CA PRO A 37 54.839 44.676 15.493 1.00 0.00 C ATOM 584 C PRO A 37 53.852 43.780 16.242 1.00 0.00 C ATOM 585 O PRO A 37 54.134 43.420 17.383 1.00 0.00 O ATOM 586 CB PRO A 37 56.169 43.962 15.269 1.00 0.00 C ATOM 587 CG PRO A 37 57.213 45.068 15.388 1.00 0.00 C ATOM 588 CD PRO A 37 56.580 46.004 16.413 1.00 0.00 C ATOM 0 HA PRO A 37 54.345 44.914 14.551 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.331 43.180 16.011 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.205 43.485 14.290 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.175 44.684 15.727 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.387 45.567 14.435 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.855 45.717 17.428 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.919 47.030 16.269 1.00 0.00 H new ATOM 596 N PRO A 38 52.730 43.373 15.654 1.00 0.00 N ATOM 597 CA PRO A 38 51.777 42.486 16.290 1.00 0.00 C ATOM 598 C PRO A 38 52.339 41.182 16.858 1.00 0.00 C ATOM 599 O PRO A 38 51.853 40.748 17.901 1.00 0.00 O ATOM 600 CB PRO A 38 50.702 42.211 15.242 1.00 0.00 C ATOM 601 CG PRO A 38 50.673 43.520 14.458 1.00 0.00 C ATOM 602 CD PRO A 38 52.145 43.924 14.448 1.00 0.00 C ATOM 0 HA PRO A 38 51.397 42.984 17.182 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.959 41.362 14.608 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.737 41.988 15.697 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.282 43.382 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.048 44.271 14.942 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.648 43.538 13.561 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.250 45.009 14.426 1.00 0.00 H new ATOM 610 N ASP A 39 53.396 40.606 16.292 1.00 0.00 N ATOM 611 CA ASP A 39 54.028 39.406 16.801 1.00 0.00 C ATOM 612 C ASP A 39 54.704 39.581 18.162 1.00 0.00 C ATOM 613 O ASP A 39 54.982 38.595 18.841 1.00 0.00 O ATOM 614 CB ASP A 39 54.994 38.820 15.776 1.00 0.00 C ATOM 615 CG ASP A 39 56.268 39.643 15.574 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.202 40.702 14.913 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.350 39.209 16.025 1.00 0.00 O ATOM 0 H ASP A 39 53.841 40.972 15.451 1.00 0.00 H new ATOM 0 HA ASP A 39 53.217 38.697 16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.271 37.813 16.088 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.479 38.727 14.820 1.00 0.00 H new ATOM 622 N GLN A 40 54.927 40.819 18.593 1.00 0.00 N ATOM 623 CA GLN A 40 55.389 41.157 19.925 1.00 0.00 C ATOM 624 C GLN A 40 54.245 41.525 20.871 1.00 0.00 C ATOM 625 O GLN A 40 54.433 41.486 22.085 1.00 0.00 O ATOM 626 CB GLN A 40 56.351 42.340 19.853 1.00 0.00 C ATOM 627 CG GLN A 40 57.563 42.090 18.960 1.00 0.00 C ATOM 628 CD GLN A 40 58.505 43.294 18.911 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.415 44.248 19.680 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.473 43.296 17.998 1.00 0.00 N ATOM 0 H GLN A 40 54.785 41.638 18.001 1.00 0.00 H new ATOM 0 HA GLN A 40 55.884 40.269 20.319 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.813 43.213 19.484 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.695 42.579 20.859 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.108 41.220 19.326 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.226 41.854 17.951 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.565 42.513 17.350 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.123 44.080 17.946 1.00 0.00 H new ATOM 639 N GLN A 41 53.087 41.939 20.364 1.00 0.00 N ATOM 640 CA GLN A 41 52.035 42.498 21.189 1.00 0.00 C ATOM 641 C GLN A 41 51.238 41.399 21.895 1.00 0.00 C ATOM 642 O GLN A 41 50.575 40.607 21.230 1.00 0.00 O ATOM 643 CB GLN A 41 51.090 43.346 20.345 1.00 0.00 C ATOM 644 CG GLN A 41 51.660 44.619 19.726 1.00 0.00 C ATOM 645 CD GLN A 41 50.561 45.385 18.988 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.458 45.569 19.499 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.760 45.840 17.754 1.00 0.00 N ATOM 0 H GLN A 41 52.858 41.894 19.371 1.00 0.00 H new ATOM 0 HA GLN A 41 52.509 43.124 21.945 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.705 42.722 19.539 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.239 43.624 20.967 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.093 45.248 20.504 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.465 44.367 19.035 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.663 45.705 17.300 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.009 46.324 17.262 1.00 0.00 H new ATOM 656 N ARG A 42 51.201 41.406 23.225 1.00 0.00 N ATOM 657 CA ARG A 42 50.166 40.748 23.997 1.00 0.00 C ATOM 658 C ARG A 42 49.389 41.770 24.830 1.00 0.00 C ATOM 659 O ARG A 42 49.976 42.486 25.637 1.00 0.00 O ATOM 660 CB ARG A 42 50.743 39.639 24.869 1.00 0.00 C ATOM 661 CG ARG A 42 51.072 38.337 24.142 1.00 0.00 C ATOM 662 CD ARG A 42 49.849 37.708 23.481 1.00 0.00 C ATOM 663 NE ARG A 42 50.032 36.281 23.214 1.00 0.00 N ATOM 664 CZ ARG A 42 49.074 35.344 23.208 1.00 0.00 C ATOM 665 NH1 ARG A 42 47.771 35.602 23.385 1.00 0.00 N ATOM 666 NH2 ARG A 42 49.397 34.058 23.014 1.00 0.00 N ATOM 0 H ARG A 42 51.901 41.877 23.799 1.00 0.00 H new ATOM 0 HA ARG A 42 49.470 40.279 23.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.651 40.009 25.344 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.033 39.420 25.666 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.831 38.530 23.384 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.502 37.629 24.850 1.00 0.00 H new ATOM 0 HD2 ARG A 42 48.980 37.846 24.125 1.00 0.00 H new ATOM 0 HD3 ARG A 42 49.638 38.226 22.545 1.00 0.00 H new ATOM 0 HE ARG A 42 50.982 35.969 23.013 1.00 0.00 H new ATOM 0 HH11 ARG A 42 47.457 36.561 23.536 1.00 0.00 H new ATOM 0 HH12 ARG A 42 47.093 34.840 23.369 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.372 33.793 22.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.668 33.344 23.009 1.00 0.00 H new ATOM 680 N LEU A 43 48.072 41.801 24.644 1.00 0.00 N ATOM 681 CA LEU A 43 47.149 42.471 25.537 1.00 0.00 C ATOM 682 C LEU A 43 46.771 41.523 26.677 1.00 0.00 C ATOM 683 O LEU A 43 46.539 40.341 26.430 1.00 0.00 O ATOM 684 CB LEU A 43 45.927 42.959 24.766 1.00 0.00 C ATOM 685 CG LEU A 43 46.192 44.103 23.792 1.00 0.00 C ATOM 686 CD1 LEU A 43 44.972 44.329 22.904 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.486 45.417 24.511 1.00 0.00 C ATOM 0 H LEU A 43 47.614 41.351 23.851 1.00 0.00 H new ATOM 0 HA LEU A 43 47.623 43.351 25.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.507 42.120 24.211 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.169 43.279 25.481 1.00 0.00 H new ATOM 0 HG LEU A 43 47.063 43.814 23.204 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.172 45.148 22.213 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.760 43.421 22.340 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.112 44.580 23.525 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.668 46.201 23.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.632 45.692 25.131 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.368 45.298 25.140 1.00 0.00 H new ATOM 699 N ILE A 44 46.724 42.035 27.903 1.00 0.00 N ATOM 700 CA ILE A 44 46.528 41.251 29.106 1.00 0.00 C ATOM 701 C ILE A 44 45.379 41.762 29.977 1.00 0.00 C ATOM 702 O ILE A 44 45.114 42.962 30.030 1.00 0.00 O ATOM 703 CB ILE A 44 47.820 41.124 29.906 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.423 42.479 30.267 1.00 0.00 C ATOM 705 CG2 ILE A 44 48.829 40.265 29.150 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.517 42.429 31.330 1.00 0.00 C ATOM 0 H ILE A 44 46.824 43.033 28.086 1.00 0.00 H new ATOM 0 HA ILE A 44 46.237 40.255 28.774 1.00 0.00 H new ATOM 0 HB ILE A 44 47.569 40.634 30.847 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.834 42.931 29.364 1.00 0.00 H new ATOM 0 HG13 ILE A 44 47.625 43.134 30.617 1.00 0.00 H new ATOM 0 HG21 ILE A 44 49.746 40.183 29.733 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.412 39.271 28.988 1.00 0.00 H new ATOM 0 HG23 ILE A 44 49.051 40.726 28.188 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.885 43.437 31.521 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.111 42.011 32.251 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.338 41.804 30.978 1.00 0.00 H new ATOM 718 N PHE A 45 44.703 40.849 30.668 1.00 0.00 N ATOM 719 CA PHE A 45 43.728 41.134 31.701 1.00 0.00 C ATOM 720 C PHE A 45 43.550 39.938 32.638 1.00 0.00 C ATOM 721 O PHE A 45 43.518 38.804 32.163 1.00 0.00 O ATOM 722 CB PHE A 45 42.390 41.494 31.063 1.00 0.00 C ATOM 723 CG PHE A 45 41.314 41.889 32.045 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.416 43.100 32.741 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.216 41.050 32.274 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.434 43.463 33.670 1.00 0.00 C ATOM 727 CE2 PHE A 45 39.233 41.410 33.204 1.00 0.00 C ATOM 728 CZ PHE A 45 39.347 42.614 33.909 1.00 0.00 C ATOM 0 H PHE A 45 44.829 39.849 30.512 1.00 0.00 H new ATOM 0 HA PHE A 45 44.092 41.976 32.289 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.545 42.315 30.363 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.038 40.642 30.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.255 43.756 32.560 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.127 40.121 31.731 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.515 44.399 34.203 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.388 40.760 33.377 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.597 42.888 34.637 1.00 0.00 H new ATOM 738 N ALA A 46 43.378 40.165 33.937 1.00 0.00 N ATOM 739 CA ALA A 46 43.067 39.157 34.931 1.00 0.00 C ATOM 740 C ALA A 46 43.968 37.921 34.891 1.00 0.00 C ATOM 741 O ALA A 46 43.512 36.780 34.889 1.00 0.00 O ATOM 742 CB ALA A 46 41.568 38.873 34.898 1.00 0.00 C ATOM 0 H ALA A 46 43.456 41.100 34.337 1.00 0.00 H new ATOM 0 HA ALA A 46 43.307 39.558 35.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.325 38.115 35.643 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.019 39.789 35.119 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.288 38.512 33.908 1.00 0.00 H new ATOM 748 N GLY A 47 45.275 38.161 34.817 1.00 0.00 N ATOM 749 CA GLY A 47 46.325 37.165 34.756 1.00 0.00 C ATOM 750 C GLY A 47 46.481 36.433 33.422 1.00 0.00 C ATOM 751 O GLY A 47 47.322 35.541 33.325 1.00 0.00 O ATOM 0 H GLY A 47 45.643 39.112 34.797 1.00 0.00 H new ATOM 0 HA2 GLY A 47 47.272 37.650 34.994 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.141 36.424 35.534 1.00 0.00 H new ATOM 755 N LYS A 48 45.691 36.763 32.404 1.00 0.00 N ATOM 756 CA LYS A 48 45.606 36.051 31.145 1.00 0.00 C ATOM 757 C LYS A 48 46.052 36.895 29.950 1.00 0.00 C ATOM 758 O LYS A 48 45.779 38.092 29.887 1.00 0.00 O ATOM 759 CB LYS A 48 44.179 35.557 30.921 1.00 0.00 C ATOM 760 CG LYS A 48 43.758 34.494 31.931 1.00 0.00 C ATOM 761 CD LYS A 48 42.291 34.121 31.743 1.00 0.00 C ATOM 762 CE LYS A 48 41.851 32.972 32.646 1.00 0.00 C ATOM 763 NZ LYS A 48 42.579 31.733 32.336 1.00 0.00 N ATOM 0 H LYS A 48 45.068 37.570 32.442 1.00 0.00 H new ATOM 0 HA LYS A 48 46.292 35.207 31.214 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.493 36.402 30.982 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.094 35.149 29.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.381 33.608 31.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.917 34.864 32.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.670 34.994 31.945 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.122 33.844 30.702 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.019 33.243 33.688 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.780 32.805 32.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.103 30.928 32.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.597 31.589 31.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.553 31.804 32.692 1.00 0.00 H new ATOM 777 N GLN A 49 46.657 36.229 28.971 1.00 0.00 N ATOM 778 CA GLN A 49 46.891 36.752 27.639 1.00 0.00 C ATOM 779 C GLN A 49 45.582 36.710 26.848 1.00 0.00 C ATOM 780 O GLN A 49 44.920 35.676 26.821 1.00 0.00 O ATOM 781 CB GLN A 49 47.966 35.948 26.913 1.00 0.00 C ATOM 782 CG GLN A 49 49.210 35.569 27.711 1.00 0.00 C ATOM 783 CD GLN A 49 49.937 36.763 28.333 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.466 37.627 27.637 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.002 36.845 29.658 1.00 0.00 N ATOM 0 H GLN A 49 47.008 35.279 29.092 1.00 0.00 H new ATOM 0 HA GLN A 49 47.242 37.780 27.722 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.509 35.030 26.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.285 36.520 26.041 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.924 34.877 28.504 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.901 35.036 27.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.563 36.128 30.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.491 37.625 30.097 1.00 0.00 H new ATOM 794 N LEU A 50 45.211 37.799 26.179 1.00 0.00 N ATOM 795 CA LEU A 50 44.080 37.814 25.274 1.00 0.00 C ATOM 796 C LEU A 50 44.479 37.225 23.920 1.00 0.00 C ATOM 797 O LEU A 50 45.554 37.512 23.395 1.00 0.00 O ATOM 798 CB LEU A 50 43.484 39.215 25.162 1.00 0.00 C ATOM 799 CG LEU A 50 43.083 39.873 26.479 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.403 41.208 26.187 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.125 39.029 27.317 1.00 0.00 C ATOM 0 H LEU A 50 45.692 38.695 26.254 1.00 0.00 H new ATOM 0 HA LEU A 50 43.290 37.181 25.679 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.208 39.858 24.662 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.605 39.165 24.520 1.00 0.00 H new ATOM 0 HG LEU A 50 44.002 39.997 27.053 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.114 41.682 27.125 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.093 41.858 25.649 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.515 41.039 25.578 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.884 39.559 28.238 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.211 38.848 26.752 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.596 38.077 27.560 1.00 0.00 H new ATOM 813 N GLU A 51 43.626 36.371 23.361 1.00 0.00 N ATOM 814 CA GLU A 51 43.920 35.570 22.189 1.00 0.00 C ATOM 815 C GLU A 51 43.542 36.264 20.879 1.00 0.00 C ATOM 816 O GLU A 51 42.384 36.620 20.677 1.00 0.00 O ATOM 817 CB GLU A 51 43.223 34.218 22.313 1.00 0.00 C ATOM 818 CG GLU A 51 43.920 33.266 23.280 1.00 0.00 C ATOM 819 CD GLU A 51 45.242 32.765 22.694 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.222 31.911 21.781 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.326 33.270 23.056 1.00 0.00 O ATOM 0 H GLU A 51 42.686 36.217 23.726 1.00 0.00 H new ATOM 0 HA GLU A 51 45.000 35.427 22.149 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.197 34.375 22.645 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.172 33.752 21.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.106 33.774 24.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.269 32.419 23.496 1.00 0.00 H new ATOM 828 N ASP A 52 44.507 36.382 19.970 1.00 0.00 N ATOM 829 CA ASP A 52 44.402 37.014 18.670 1.00 0.00 C ATOM 830 C ASP A 52 43.182 36.613 17.838 1.00 0.00 C ATOM 831 O ASP A 52 42.707 37.423 17.044 1.00 0.00 O ATOM 832 CB ASP A 52 45.664 36.710 17.869 1.00 0.00 C ATOM 833 CG ASP A 52 46.840 37.626 18.211 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.209 37.773 19.397 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.463 38.167 17.273 1.00 0.00 O ATOM 0 H ASP A 52 45.442 36.012 20.140 1.00 0.00 H new ATOM 0 HA ASP A 52 44.280 38.078 18.874 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.957 35.675 18.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.441 36.801 16.806 1.00 0.00 H new ATOM 840 N GLY A 53 42.665 35.398 17.999 1.00 0.00 N ATOM 841 CA GLY A 53 41.483 34.911 17.320 1.00 0.00 C ATOM 842 C GLY A 53 40.137 35.348 17.903 1.00 0.00 C ATOM 843 O GLY A 53 39.133 35.309 17.193 1.00 0.00 O ATOM 0 H GLY A 53 43.076 34.708 18.628 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.527 35.236 16.281 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.516 33.822 17.315 1.00 0.00 H new ATOM 847 N ARG A 54 40.077 35.720 19.177 1.00 0.00 N ATOM 848 CA ARG A 54 38.865 36.080 19.886 1.00 0.00 C ATOM 849 C ARG A 54 38.581 37.579 19.775 1.00 0.00 C ATOM 850 O ARG A 54 39.465 38.355 19.418 1.00 0.00 O ATOM 851 CB ARG A 54 38.931 35.602 21.334 1.00 0.00 C ATOM 852 CG ARG A 54 38.547 34.140 21.545 1.00 0.00 C ATOM 853 CD ARG A 54 39.421 33.127 20.811 1.00 0.00 C ATOM 854 NE ARG A 54 39.175 31.757 21.262 1.00 0.00 N ATOM 855 CZ ARG A 54 38.277 30.880 20.792 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.448 31.160 19.779 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.181 29.654 21.326 1.00 0.00 N ATOM 0 H ARG A 54 40.909 35.780 19.764 1.00 0.00 H new ATOM 0 HA ARG A 54 38.023 35.572 19.416 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.944 35.754 21.706 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.273 36.226 21.938 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.583 33.922 22.612 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.514 34.003 21.227 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.232 33.195 19.740 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.471 33.376 20.965 1.00 0.00 H new ATOM 0 HE ARG A 54 39.760 31.428 22.030 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.483 32.075 19.329 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.781 30.459 19.457 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.794 29.383 22.095 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.495 28.992 20.963 1.00 0.00 H new ATOM 871 N THR A 55 37.349 37.990 20.061 1.00 0.00 N ATOM 872 CA THR A 55 36.882 39.359 19.986 1.00 0.00 C ATOM 873 C THR A 55 36.718 39.995 21.367 1.00 0.00 C ATOM 874 O THR A 55 36.614 39.295 22.372 1.00 0.00 O ATOM 875 CB THR A 55 35.593 39.500 19.183 1.00 0.00 C ATOM 876 OG1 THR A 55 34.497 38.917 19.853 1.00 0.00 O ATOM 877 CG2 THR A 55 35.658 38.856 17.801 1.00 0.00 C ATOM 0 H THR A 55 36.621 37.344 20.365 1.00 0.00 H new ATOM 0 HA THR A 55 37.664 39.901 19.454 1.00 0.00 H new ATOM 0 HB THR A 55 35.464 40.577 19.072 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.595 37.942 19.854 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.706 38.996 17.289 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.455 39.321 17.220 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.860 37.790 17.905 1.00 0.00 H new ATOM 885 N LEU A 56 36.648 41.322 21.427 1.00 0.00 N ATOM 886 CA LEU A 56 36.472 42.057 22.664 1.00 0.00 C ATOM 887 C LEU A 56 35.237 41.615 23.452 1.00 0.00 C ATOM 888 O LEU A 56 35.310 41.460 24.667 1.00 0.00 O ATOM 889 CB LEU A 56 36.415 43.550 22.357 1.00 0.00 C ATOM 890 CG LEU A 56 37.711 44.156 21.826 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.459 45.601 21.405 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.830 44.161 22.863 1.00 0.00 C ATOM 0 H LEU A 56 36.713 41.920 20.603 1.00 0.00 H new ATOM 0 HA LEU A 56 37.328 41.840 23.303 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.625 43.724 21.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.131 44.081 23.266 1.00 0.00 H new ATOM 0 HG LEU A 56 38.025 43.537 20.985 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.384 46.036 21.025 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.699 45.625 20.624 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.114 46.176 22.265 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.727 44.603 22.429 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.520 44.745 23.730 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.044 43.138 23.173 1.00 0.00 H new ATOM 904 N SER A 57 34.126 41.339 22.773 1.00 0.00 N ATOM 905 CA SER A 57 32.912 40.839 23.387 1.00 0.00 C ATOM 906 C SER A 57 33.016 39.409 23.921 1.00 0.00 C ATOM 907 O SER A 57 32.306 39.082 24.870 1.00 0.00 O ATOM 908 CB SER A 57 31.725 40.943 22.434 1.00 0.00 C ATOM 909 OG SER A 57 31.972 40.238 21.239 1.00 0.00 O ATOM 0 H SER A 57 34.049 41.461 21.763 1.00 0.00 H new ATOM 0 HA SER A 57 32.754 41.484 24.252 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.831 40.546 22.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.527 41.991 22.208 1.00 0.00 H new ATOM 0 HG SER A 57 32.500 40.798 20.632 1.00 0.00 H new ATOM 915 N ASP A 58 33.912 38.565 23.416 1.00 0.00 N ATOM 916 CA ASP A 58 34.127 37.239 23.958 1.00 0.00 C ATOM 917 C ASP A 58 34.743 37.279 25.357 1.00 0.00 C ATOM 918 O ASP A 58 34.546 36.360 26.149 1.00 0.00 O ATOM 919 CB ASP A 58 34.974 36.397 23.009 1.00 0.00 C ATOM 920 CG ASP A 58 34.352 36.253 21.618 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.141 35.960 21.518 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.070 36.432 20.611 1.00 0.00 O ATOM 0 H ASP A 58 34.507 38.788 22.618 1.00 0.00 H new ATOM 0 HA ASP A 58 33.149 36.768 24.056 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.961 36.849 22.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.117 35.407 23.441 1.00 0.00 H new ATOM 927 N TYR A 59 35.418 38.375 25.691 1.00 0.00 N ATOM 928 CA TYR A 59 35.914 38.711 27.010 1.00 0.00 C ATOM 929 C TYR A 59 35.050 39.743 27.737 1.00 0.00 C ATOM 930 O TYR A 59 35.440 40.213 28.805 1.00 0.00 O ATOM 931 CB TYR A 59 37.364 39.168 26.878 1.00 0.00 C ATOM 932 CG TYR A 59 38.310 38.158 26.275 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.688 37.025 27.004 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.844 38.380 25.000 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.608 36.114 26.470 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.770 37.482 24.456 1.00 0.00 C ATOM 937 CZ TYR A 59 40.159 36.346 25.194 1.00 0.00 C ATOM 938 OH TYR A 59 41.067 35.476 24.666 1.00 0.00 O ATOM 0 H TYR A 59 35.644 39.092 25.002 1.00 0.00 H new ATOM 0 HA TYR A 59 35.862 37.820 27.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.388 40.072 26.269 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.733 39.440 27.867 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.268 36.852 27.984 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.540 39.248 24.434 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.894 35.238 27.033 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.185 37.659 23.475 1.00 0.00 H new ATOM 0 HH TYR A 59 40.892 34.574 25.006 1.00 0.00 H new ATOM 948 N ASN A 60 33.886 40.101 27.204 1.00 0.00 N ATOM 949 CA ASN A 60 32.965 41.092 27.722 1.00 0.00 C ATOM 950 C ASN A 60 33.556 42.488 27.924 1.00 0.00 C ATOM 951 O ASN A 60 33.099 43.220 28.799 1.00 0.00 O ATOM 952 CB ASN A 60 32.246 40.561 28.959 1.00 0.00 C ATOM 953 CG ASN A 60 31.629 39.170 28.800 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.143 38.182 29.320 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.479 39.046 28.144 1.00 0.00 N ATOM 0 H ASN A 60 33.544 39.675 26.342 1.00 0.00 H new ATOM 0 HA ASN A 60 32.226 41.252 26.937 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.952 40.536 29.789 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.458 41.263 29.232 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.027 38.134 28.074 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.048 39.863 27.711 1.00 0.00 H new ATOM 962 N ILE A 61 34.584 42.884 27.178 1.00 0.00 N ATOM 963 CA ILE A 61 35.282 44.141 27.349 1.00 0.00 C ATOM 964 C ILE A 61 34.453 45.266 26.725 1.00 0.00 C ATOM 965 O ILE A 61 34.388 45.386 25.503 1.00 0.00 O ATOM 966 CB ILE A 61 36.686 44.070 26.755 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.513 42.952 27.383 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.412 45.400 26.936 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.759 42.577 26.586 1.00 0.00 C ATOM 0 H ILE A 61 34.960 42.318 26.418 1.00 0.00 H new ATOM 0 HA ILE A 61 35.403 44.350 28.412 1.00 0.00 H new ATOM 0 HB ILE A 61 36.573 43.856 25.692 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.814 43.256 28.386 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.885 42.068 27.493 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.411 45.330 26.506 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.855 46.190 26.433 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.489 45.631 27.998 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.291 41.776 27.099 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.467 42.240 25.591 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.410 43.447 26.498 1.00 0.00 H new ATOM 981 N GLN A 62 33.793 46.076 27.547 1.00 0.00 N ATOM 982 CA GLN A 62 32.915 47.146 27.116 1.00 0.00 C ATOM 983 C GLN A 62 33.636 48.475 26.886 1.00 0.00 C ATOM 984 O GLN A 62 34.813 48.639 27.200 1.00 0.00 O ATOM 985 CB GLN A 62 31.779 47.292 28.125 1.00 0.00 C ATOM 986 CG GLN A 62 30.745 46.175 28.017 1.00 0.00 C ATOM 987 CD GLN A 62 29.578 46.424 28.975 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.610 47.107 28.651 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.644 45.906 30.200 1.00 0.00 N ATOM 0 H GLN A 62 33.860 45.999 28.562 1.00 0.00 H new ATOM 0 HA GLN A 62 32.513 46.872 26.140 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.193 47.301 29.133 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.286 48.253 27.974 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.375 46.113 26.994 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.212 45.217 28.246 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.447 45.338 30.471 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.892 46.077 30.867 1.00 0.00 H new ATOM 998 N LYS A 63 32.906 49.446 26.344 1.00 0.00 N ATOM 999 CA LYS A 63 33.337 50.804 26.084 1.00 0.00 C ATOM 1000 C LYS A 63 34.050 51.460 27.269 1.00 0.00 C ATOM 1001 O LYS A 63 33.660 51.293 28.422 1.00 0.00 O ATOM 1002 CB LYS A 63 32.141 51.628 25.616 1.00 0.00 C ATOM 1003 CG LYS A 63 31.009 51.788 26.627 1.00 0.00 C ATOM 1004 CD LYS A 63 29.776 52.394 25.963 1.00 0.00 C ATOM 1005 CE LYS A 63 28.610 52.470 26.944 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.378 52.899 26.262 1.00 0.00 N ATOM 0 H LYS A 63 31.939 49.289 26.059 1.00 0.00 H new ATOM 0 HA LYS A 63 34.088 50.766 25.295 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.495 52.620 25.335 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.736 51.167 24.715 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.758 50.818 27.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.336 52.425 27.449 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.011 53.392 25.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.491 51.793 25.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.454 51.495 27.406 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.849 53.169 27.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.598 52.944 26.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.523 53.839 25.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.141 52.218 25.513 1.00 0.00 H new ATOM 1020 N GLU A 64 35.098 52.223 26.969 1.00 0.00 N ATOM 1021 CA GLU A 64 35.910 53.009 27.876 1.00 0.00 C ATOM 1022 C GLU A 64 36.705 52.193 28.897 1.00 0.00 C ATOM 1023 O GLU A 64 37.246 52.750 29.851 1.00 0.00 O ATOM 1024 CB GLU A 64 35.115 54.184 28.439 1.00 0.00 C ATOM 1025 CG GLU A 64 34.547 55.079 27.340 1.00 0.00 C ATOM 1026 CD GLU A 64 33.627 56.170 27.891 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.397 55.956 27.955 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.126 57.273 28.204 1.00 0.00 O ATOM 0 H GLU A 64 35.422 52.310 26.006 1.00 0.00 H new ATOM 0 HA GLU A 64 36.716 53.448 27.287 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.299 53.806 29.055 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.758 54.776 29.091 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.368 55.542 26.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.994 54.467 26.627 1.00 0.00 H new ATOM 1035 N SER A 65 36.854 50.889 28.683 1.00 0.00 N ATOM 1036 CA SER A 65 37.757 50.028 29.420 1.00 0.00 C ATOM 1037 C SER A 65 39.213 50.206 28.988 1.00 0.00 C ATOM 1038 O SER A 65 39.501 50.362 27.803 1.00 0.00 O ATOM 1039 CB SER A 65 37.382 48.559 29.259 1.00 0.00 C ATOM 1040 OG SER A 65 36.028 48.323 29.572 1.00 0.00 O ATOM 0 H SER A 65 36.328 50.391 27.965 1.00 0.00 H new ATOM 0 HA SER A 65 37.660 50.323 30.465 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.577 48.245 28.234 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.015 47.950 29.905 1.00 0.00 H new ATOM 0 HG SER A 65 35.513 48.226 28.744 1.00 0.00 H new ATOM 1046 N THR A 66 40.146 50.124 29.932 1.00 0.00 N ATOM 1047 CA THR A 66 41.576 50.106 29.700 1.00 0.00 C ATOM 1048 C THR A 66 42.110 48.673 29.714 1.00 0.00 C ATOM 1049 O THR A 66 41.730 47.872 30.565 1.00 0.00 O ATOM 1050 CB THR A 66 42.327 50.970 30.711 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.043 52.333 30.490 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.847 50.888 30.610 1.00 0.00 C ATOM 0 H THR A 66 39.909 50.066 30.922 1.00 0.00 H new ATOM 0 HA THR A 66 41.750 50.533 28.712 1.00 0.00 H new ATOM 0 HB THR A 66 41.996 50.591 31.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.528 52.878 31.144 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.297 51.533 31.365 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.168 49.859 30.774 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.164 51.213 29.619 1.00 0.00 H new ATOM 1060 N LEU A 67 43.039 48.363 28.814 1.00 0.00 N ATOM 1061 CA LEU A 67 43.876 47.180 28.851 1.00 0.00 C ATOM 1062 C LEU A 67 45.352 47.563 28.976 1.00 0.00 C ATOM 1063 O LEU A 67 45.754 48.638 28.536 1.00 0.00 O ATOM 1064 CB LEU A 67 43.671 46.345 27.590 1.00 0.00 C ATOM 1065 CG LEU A 67 42.314 45.661 27.448 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.275 44.946 26.101 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.069 44.620 28.537 1.00 0.00 C ATOM 0 H LEU A 67 43.233 48.957 28.008 1.00 0.00 H new ATOM 0 HA LEU A 67 43.590 46.592 29.723 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.822 46.989 26.724 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.446 45.579 27.556 1.00 0.00 H new ATOM 0 HG LEU A 67 41.545 46.429 27.532 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.312 44.450 25.980 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.413 45.672 25.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.073 44.204 26.060 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.090 44.163 28.390 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.840 43.851 28.485 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.102 45.101 29.514 1.00 0.00 H new ATOM 1079 N HIS A 68 46.166 46.660 29.514 1.00 0.00 N ATOM 1080 CA HIS A 68 47.611 46.769 29.472 1.00 0.00 C ATOM 1081 C HIS A 68 48.192 46.003 28.283 1.00 0.00 C ATOM 1082 O HIS A 68 47.709 44.929 27.931 1.00 0.00 O ATOM 1083 CB HIS A 68 48.215 46.297 30.793 1.00 0.00 C ATOM 1084 CG HIS A 68 48.046 47.278 31.920 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.932 48.310 32.224 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.046 47.271 32.857 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.449 48.914 33.313 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.321 48.312 33.722 1.00 0.00 N ATOM 0 H HIS A 68 45.832 45.825 29.995 1.00 0.00 H new ATOM 0 HA HIS A 68 47.873 47.818 29.334 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.754 45.350 31.075 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.278 46.104 30.648 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.211 46.588 32.909 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.902 49.767 33.796 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.762 48.578 34.533 1.00 0.00 H new ATOM 1096 N LEU A 69 49.247 46.553 27.688 1.00 0.00 N ATOM 1097 CA LEU A 69 50.000 45.984 26.589 1.00 0.00 C ATOM 1098 C LEU A 69 51.418 45.625 27.037 1.00 0.00 C ATOM 1099 O LEU A 69 52.103 46.447 27.644 1.00 0.00 O ATOM 1100 CB LEU A 69 50.005 46.988 25.441 1.00 0.00 C ATOM 1101 CG LEU A 69 50.835 46.609 24.218 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.299 45.370 23.507 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.830 47.757 23.212 1.00 0.00 C ATOM 0 H LEU A 69 49.615 47.458 27.981 1.00 0.00 H new ATOM 0 HA LEU A 69 49.535 45.058 26.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.975 47.147 25.120 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.371 47.942 25.821 1.00 0.00 H new ATOM 0 HG LEU A 69 51.841 46.398 24.580 1.00 0.00 H new ATOM 0 HD11 LEU A 69 50.927 45.145 22.645 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.309 44.524 24.194 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.278 45.555 23.174 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.424 47.480 22.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.806 47.964 22.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.256 48.647 23.674 1.00 0.00 H new ATOM 1115 N VAL A 70 51.889 44.429 26.697 1.00 0.00 N ATOM 1116 CA VAL A 70 53.252 43.986 26.909 1.00 0.00 C ATOM 1117 C VAL A 70 53.904 43.664 25.563 1.00 0.00 C ATOM 1118 O VAL A 70 53.305 42.984 24.732 1.00 0.00 O ATOM 1119 CB VAL A 70 53.340 42.778 27.838 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.776 42.624 28.333 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.438 42.894 29.064 1.00 0.00 C ATOM 0 H VAL A 70 51.306 43.721 26.251 1.00 0.00 H new ATOM 0 HA VAL A 70 53.787 44.801 27.398 1.00 0.00 H new ATOM 0 HB VAL A 70 53.012 41.917 27.255 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.842 41.762 28.997 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.441 42.478 27.482 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.072 43.522 28.875 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.548 42.003 29.682 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.721 43.774 29.642 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.400 42.988 28.745 1.00 0.00 H new ATOM 1131 N LEU A 71 55.125 44.147 25.355 1.00 0.00 N ATOM 1132 CA LEU A 71 55.936 43.821 24.199 1.00 0.00 C ATOM 1133 C LEU A 71 56.814 42.612 24.527 1.00 0.00 C ATOM 1134 O LEU A 71 57.729 42.697 25.344 1.00 0.00 O ATOM 1135 CB LEU A 71 56.770 45.016 23.744 1.00 0.00 C ATOM 1136 CG LEU A 71 56.007 46.114 23.010 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.127 46.971 23.914 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.997 47.044 22.314 1.00 0.00 C ATOM 0 H LEU A 71 55.583 44.789 26.002 1.00 0.00 H new ATOM 0 HA LEU A 71 55.281 43.567 23.365 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.250 45.455 24.619 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.565 44.654 23.092 1.00 0.00 H new ATOM 0 HG LEU A 71 55.354 45.599 22.305 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.619 47.728 23.316 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.387 46.340 24.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.745 47.459 24.667 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.452 47.829 21.789 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.657 47.494 23.056 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.590 46.474 21.599 1.00 0.00 H new ATOM 1150 N ARG A 72 56.559 41.476 23.885 1.00 0.00 N ATOM 1151 CA ARG A 72 57.259 40.217 24.050 1.00 0.00 C ATOM 1152 C ARG A 72 58.581 40.188 23.281 1.00 0.00 C ATOM 1153 O ARG A 72 58.768 39.430 22.333 1.00 0.00 O ATOM 1154 CB ARG A 72 56.324 39.056 23.728 1.00 0.00 C ATOM 1155 CG ARG A 72 55.065 38.987 24.590 1.00 0.00 C ATOM 1156 CD ARG A 72 55.360 38.873 26.082 1.00 0.00 C ATOM 1157 NE ARG A 72 54.147 38.621 26.861 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.002 38.800 28.181 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.005 39.189 28.981 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.808 38.591 28.751 1.00 0.00 N ATOM 0 H ARG A 72 55.811 41.412 23.194 1.00 0.00 H new ATOM 0 HA ARG A 72 57.551 40.106 25.094 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.027 39.127 22.682 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.875 38.122 23.840 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.463 39.878 24.413 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.467 38.131 24.279 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.073 38.066 26.250 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.830 39.792 26.430 1.00 0.00 H new ATOM 0 HE ARG A 72 53.334 38.276 26.350 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.931 39.363 28.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.842 39.311 29.981 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.015 38.297 28.181 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.692 38.726 29.755 1.00 0.00 H new ATOM 1174 N LEU A 73 59.483 41.069 23.708 1.00 0.00 N ATOM 1175 CA LEU A 73 60.888 41.124 23.361 1.00 0.00 C ATOM 1176 C LEU A 73 61.627 39.887 23.875 1.00 0.00 C ATOM 1177 O LEU A 73 61.113 39.165 24.726 1.00 0.00 O ATOM 1178 CB LEU A 73 61.486 42.398 23.952 1.00 0.00 C ATOM 1179 CG LEU A 73 60.813 43.712 23.563 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.474 44.864 24.316 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.907 43.993 22.066 1.00 0.00 C ATOM 0 H LEU A 73 59.224 41.815 24.353 1.00 0.00 H new ATOM 0 HA LEU A 73 60.995 41.137 22.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.465 42.313 25.038 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.534 42.451 23.657 1.00 0.00 H new ATOM 0 HG LEU A 73 59.759 43.624 23.826 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.994 45.803 24.039 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.368 44.705 25.389 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.532 44.908 24.058 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.413 44.939 21.842 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.955 44.052 21.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.420 43.189 21.514 1.00 0.00 H new ATOM 1193 N ARG A 74 62.834 39.640 23.371 1.00 0.00 N ATOM 1194 CA ARG A 74 63.666 38.510 23.735 1.00 0.00 C ATOM 1195 C ARG A 74 65.094 38.928 24.088 1.00 0.00 C ATOM 1196 O ARG A 74 65.501 40.052 23.806 1.00 0.00 O ATOM 1197 CB ARG A 74 63.648 37.457 22.630 1.00 0.00 C ATOM 1198 CG ARG A 74 62.242 36.950 22.324 1.00 0.00 C ATOM 1199 CD ARG A 74 62.254 35.818 21.301 1.00 0.00 C ATOM 1200 NE ARG A 74 60.888 35.503 20.881 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.506 34.573 19.994 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.367 33.758 19.372 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.201 34.458 19.710 1.00 0.00 N ATOM 0 H ARG A 74 63.269 40.245 22.675 1.00 0.00 H new ATOM 0 HA ARG A 74 63.244 38.069 24.638 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.083 37.879 21.724 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.277 36.617 22.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.773 36.602 23.245 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.634 37.772 21.948 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.851 36.106 20.436 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.723 34.933 21.732 1.00 0.00 H new ATOM 0 HE ARG A 74 60.144 36.052 21.311 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.366 33.828 19.565 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.024 33.067 18.705 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.524 35.070 20.165 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.885 33.758 19.039 1.00 0.00 H new ATOM 1217 N GLY A 75 65.846 38.029 24.718 1.00 0.00 N ATOM 1218 CA GLY A 75 67.234 38.227 25.085 1.00 0.00 C ATOM 1219 C GLY A 75 67.827 37.047 25.858 1.00 0.00 C ATOM 1220 O GLY A 75 67.383 35.911 25.706 1.00 0.00 O ATOM 0 H GLY A 75 65.488 37.114 24.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.822 38.394 24.182 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.318 39.129 25.691 1.00 0.00 H new ATOM 1224 N GLY A 76 68.821 37.310 26.700 1.00 0.00 N ATOM 1225 CA GLY A 76 69.448 36.331 27.567 1.00 0.00 C ATOM 1226 C GLY A 76 70.670 36.881 28.304 1.00 0.00 C ATOM 1227 O GLY A 76 70.589 37.015 29.543 1.00 0.00 O ATOM 1228 OXT GLY A 76 71.674 37.185 27.624 1.00 0.00 O ATOM 0 H GLY A 76 69.222 38.243 26.797 1.00 0.00 H new ATOM 0 HA2 GLY A 76 68.718 35.980 28.297 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.747 35.467 26.974 1.00 0.00 H new TER 1232 GLY A 76