USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.0639 X(o=-0.064,f=-0.16) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.604 K(o=1.5,f=-0.64) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.903 K(o=1.5,f=-0.51) USER MOD Set 3.1: A 22 THR OG1 : rot -60:sc= 1.21 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.61 K(o=2.8,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.21 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 1.04 K(o=1,f=-0.32) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.361 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.871 (180deg=-0.143!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.97 (180deg=1.95) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.101) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= 1.19 K(o=1.2,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.703 K(o=0.7,f=-6!) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.316 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000617) USER MOD Single : A 65 SER OG : rot 84:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.723 52.381 19.802 1.00 0.00 N ATOM 2 CA MET A 1 33.090 52.590 21.210 1.00 0.00 C ATOM 3 C MET A 1 34.585 52.882 21.355 1.00 0.00 C ATOM 4 O MET A 1 35.368 52.441 20.517 1.00 0.00 O ATOM 5 CB MET A 1 32.683 51.423 22.106 1.00 0.00 C ATOM 6 CG MET A 1 33.435 50.120 21.849 1.00 0.00 C ATOM 7 SD MET A 1 33.047 48.802 23.027 1.00 0.00 S ATOM 8 CE MET A 1 34.223 47.542 22.475 1.00 0.00 C ATOM 0 H1 MET A 1 31.761 51.989 19.748 1.00 0.00 H new ATOM 0 H2 MET A 1 32.755 53.289 19.296 1.00 0.00 H new ATOM 0 H3 MET A 1 33.393 51.717 19.364 1.00 0.00 H new ATOM 0 HA MET A 1 32.529 53.462 21.546 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.834 51.713 23.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.616 51.241 21.977 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.205 49.772 20.842 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.506 50.318 21.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.121 46.652 23.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.019 47.284 21.436 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.238 47.930 22.560 1.00 0.00 H new ATOM 20 N GLN A 2 34.993 53.555 22.427 1.00 0.00 N ATOM 21 CA GLN A 2 36.380 53.744 22.804 1.00 0.00 C ATOM 22 C GLN A 2 36.844 52.671 23.792 1.00 0.00 C ATOM 23 O GLN A 2 36.166 52.410 24.784 1.00 0.00 O ATOM 24 CB GLN A 2 36.593 55.126 23.414 1.00 0.00 C ATOM 25 CG GLN A 2 36.510 56.243 22.377 1.00 0.00 C ATOM 26 CD GLN A 2 36.770 57.641 22.942 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.117 57.851 24.102 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.590 58.662 22.107 1.00 0.00 N ATOM 0 H GLN A 2 34.341 53.996 23.075 1.00 0.00 H new ATOM 0 HA GLN A 2 36.975 53.658 21.895 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.845 55.297 24.188 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.568 55.158 23.901 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.232 56.043 21.585 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.521 56.226 21.919 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.302 58.489 21.144 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.740 59.618 22.430 1.00 0.00 H new ATOM 37 N ILE A 3 38.029 52.112 23.566 1.00 0.00 N ATOM 38 CA ILE A 3 38.746 51.282 24.513 1.00 0.00 C ATOM 39 C ILE A 3 40.159 51.813 24.762 1.00 0.00 C ATOM 40 O ILE A 3 40.743 52.437 23.878 1.00 0.00 O ATOM 41 CB ILE A 3 38.753 49.812 24.105 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.556 49.541 22.836 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.328 49.275 24.010 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.792 48.061 22.552 1.00 0.00 C ATOM 0 H ILE A 3 38.529 52.232 22.685 1.00 0.00 H new ATOM 0 HA ILE A 3 38.206 51.336 25.458 1.00 0.00 H new ATOM 0 HB ILE A 3 39.272 49.266 24.893 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.035 49.984 21.988 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.520 50.043 22.915 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.354 48.225 23.718 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.838 49.370 24.979 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.773 49.845 23.265 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.369 47.954 21.634 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.342 47.615 23.381 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.833 47.555 22.439 1.00 0.00 H new ATOM 56 N PHE A 4 40.713 51.553 25.943 1.00 0.00 N ATOM 57 CA PHE A 4 42.020 52.033 26.340 1.00 0.00 C ATOM 58 C PHE A 4 43.079 50.928 26.353 1.00 0.00 C ATOM 59 O PHE A 4 42.837 49.820 26.828 1.00 0.00 O ATOM 60 CB PHE A 4 41.935 52.727 27.697 1.00 0.00 C ATOM 61 CG PHE A 4 40.816 53.728 27.860 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.597 54.718 26.894 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.003 53.685 28.998 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.567 55.651 27.059 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.983 54.627 29.173 1.00 0.00 C ATOM 66 CZ PHE A 4 38.756 55.608 28.200 1.00 0.00 C ATOM 0 H PHE A 4 40.252 50.992 26.659 1.00 0.00 H new ATOM 0 HA PHE A 4 42.341 52.755 25.589 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.828 51.963 28.467 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.881 53.236 27.882 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.226 54.762 26.017 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.163 52.921 29.745 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.397 56.405 26.305 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.369 54.597 30.061 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.960 56.327 28.329 1.00 0.00 H new ATOM 76 N VAL A 5 44.275 51.256 25.872 1.00 0.00 N ATOM 77 CA VAL A 5 45.457 50.418 25.860 1.00 0.00 C ATOM 78 C VAL A 5 46.586 51.159 26.579 1.00 0.00 C ATOM 79 O VAL A 5 46.932 52.265 26.171 1.00 0.00 O ATOM 80 CB VAL A 5 45.859 50.066 24.431 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.091 49.166 24.395 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.736 49.364 23.672 1.00 0.00 C ATOM 0 H VAL A 5 44.449 52.171 25.456 1.00 0.00 H new ATOM 0 HA VAL A 5 45.248 49.481 26.376 1.00 0.00 H new ATOM 0 HB VAL A 5 46.082 51.017 23.948 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.345 48.938 23.360 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.929 49.677 24.870 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.881 48.240 24.929 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.069 49.134 22.660 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.472 48.440 24.186 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.864 50.016 23.627 1.00 0.00 H new ATOM 92 N LYS A 6 47.161 50.580 27.630 1.00 0.00 N ATOM 93 CA LYS A 6 48.197 51.185 28.443 1.00 0.00 C ATOM 94 C LYS A 6 49.531 50.441 28.344 1.00 0.00 C ATOM 95 O LYS A 6 49.533 49.225 28.167 1.00 0.00 O ATOM 96 CB LYS A 6 47.683 51.328 29.872 1.00 0.00 C ATOM 97 CG LYS A 6 48.567 52.214 30.745 1.00 0.00 C ATOM 98 CD LYS A 6 47.941 52.538 32.098 1.00 0.00 C ATOM 99 CE LYS A 6 47.646 51.321 32.971 1.00 0.00 C ATOM 100 NZ LYS A 6 48.862 50.677 33.488 1.00 0.00 N ATOM 0 H LYS A 6 46.905 49.644 27.945 1.00 0.00 H new ATOM 0 HA LYS A 6 48.419 52.181 28.060 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.675 51.743 29.849 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.611 50.339 30.325 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.524 51.717 30.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.774 53.144 30.216 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.609 53.205 32.642 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.012 53.083 31.932 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.018 51.625 33.809 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.075 50.595 32.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.599 49.858 34.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.452 50.359 32.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.397 51.357 34.065 1.00 0.00 H new ATOM 114 N THR A 7 50.649 51.155 28.429 1.00 0.00 N ATOM 115 CA THR A 7 51.990 50.614 28.335 1.00 0.00 C ATOM 116 C THR A 7 52.775 50.671 29.648 1.00 0.00 C ATOM 117 O THR A 7 52.478 51.466 30.537 1.00 0.00 O ATOM 118 CB THR A 7 52.811 51.305 27.250 1.00 0.00 C ATOM 119 OG1 THR A 7 53.115 52.630 27.626 1.00 0.00 O ATOM 120 CG2 THR A 7 52.117 51.358 25.892 1.00 0.00 C ATOM 0 H THR A 7 50.639 52.165 28.571 1.00 0.00 H new ATOM 0 HA THR A 7 51.838 49.566 28.078 1.00 0.00 H new ATOM 0 HB THR A 7 53.712 50.700 27.148 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.643 53.057 26.920 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.762 51.863 25.173 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.914 50.344 25.547 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.178 51.904 25.984 1.00 0.00 H new ATOM 128 N LEU A 8 53.834 49.876 29.760 1.00 0.00 N ATOM 129 CA LEU A 8 54.719 49.857 30.908 1.00 0.00 C ATOM 130 C LEU A 8 55.412 51.199 31.152 1.00 0.00 C ATOM 131 O LEU A 8 55.640 51.556 32.306 1.00 0.00 O ATOM 132 CB LEU A 8 55.719 48.721 30.707 1.00 0.00 C ATOM 133 CG LEU A 8 56.688 48.471 31.859 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.980 48.067 33.148 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.658 47.356 31.479 1.00 0.00 C ATOM 0 H LEU A 8 54.103 49.212 29.034 1.00 0.00 H new ATOM 0 HA LEU A 8 54.132 49.684 31.810 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.163 47.802 30.521 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.300 48.930 29.809 1.00 0.00 H new ATOM 0 HG LEU A 8 57.211 49.410 32.038 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.719 47.902 33.933 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.298 48.861 33.453 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.417 47.149 32.981 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.349 47.179 32.303 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.100 46.443 31.271 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.219 47.648 30.591 1.00 0.00 H new ATOM 147 N THR A 9 55.699 51.982 30.116 1.00 0.00 N ATOM 148 CA THR A 9 56.248 53.320 30.217 1.00 0.00 C ATOM 149 C THR A 9 55.208 54.439 30.139 1.00 0.00 C ATOM 150 O THR A 9 55.525 55.573 29.786 1.00 0.00 O ATOM 151 CB THR A 9 57.423 53.527 29.266 1.00 0.00 C ATOM 152 OG1 THR A 9 57.022 53.335 27.928 1.00 0.00 O ATOM 153 CG2 THR A 9 58.563 52.555 29.556 1.00 0.00 C ATOM 0 H THR A 9 55.548 51.687 29.151 1.00 0.00 H new ATOM 0 HA THR A 9 56.641 53.396 31.231 1.00 0.00 H new ATOM 0 HB THR A 9 57.769 54.549 29.419 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.789 53.474 27.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.381 52.734 28.858 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.918 52.704 30.576 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.206 51.531 29.442 1.00 0.00 H new ATOM 161 N GLY A 10 53.964 54.150 30.508 1.00 0.00 N ATOM 162 CA GLY A 10 52.984 55.147 30.888 1.00 0.00 C ATOM 163 C GLY A 10 52.270 55.881 29.751 1.00 0.00 C ATOM 164 O GLY A 10 51.680 56.933 29.989 1.00 0.00 O ATOM 0 H GLY A 10 53.607 53.195 30.550 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.229 54.662 31.507 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.480 55.890 31.513 1.00 0.00 H new ATOM 168 N LYS A 11 52.293 55.357 28.528 1.00 0.00 N ATOM 169 CA LYS A 11 51.474 55.833 27.432 1.00 0.00 C ATOM 170 C LYS A 11 50.087 55.195 27.532 1.00 0.00 C ATOM 171 O LYS A 11 49.991 53.986 27.736 1.00 0.00 O ATOM 172 CB LYS A 11 52.166 55.537 26.104 1.00 0.00 C ATOM 173 CG LYS A 11 51.520 56.280 24.939 1.00 0.00 C ATOM 174 CD LYS A 11 52.301 56.106 23.639 1.00 0.00 C ATOM 175 CE LYS A 11 51.695 56.970 22.536 1.00 0.00 C ATOM 176 NZ LYS A 11 52.455 56.898 21.279 1.00 0.00 N ATOM 0 H LYS A 11 52.896 54.575 28.273 1.00 0.00 H new ATOM 0 HA LYS A 11 51.345 56.914 27.487 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.217 55.818 26.174 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.134 54.465 25.911 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.501 55.918 24.800 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.451 57.341 25.180 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.344 56.381 23.794 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.289 55.059 23.337 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.668 56.653 22.354 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.654 58.006 22.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.832 57.141 20.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.249 57.569 21.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.822 55.934 21.150 1.00 0.00 H new ATOM 190 N THR A 12 49.028 55.982 27.366 1.00 0.00 N ATOM 191 CA THR A 12 47.681 55.491 27.158 1.00 0.00 C ATOM 192 C THR A 12 47.240 55.827 25.733 1.00 0.00 C ATOM 193 O THR A 12 47.343 56.969 25.290 1.00 0.00 O ATOM 194 CB THR A 12 46.682 56.026 28.181 1.00 0.00 C ATOM 195 OG1 THR A 12 47.021 55.613 29.485 1.00 0.00 O ATOM 196 CG2 THR A 12 45.272 55.482 27.961 1.00 0.00 C ATOM 0 H THR A 12 49.090 57.000 27.373 1.00 0.00 H new ATOM 0 HA THR A 12 47.696 54.410 27.299 1.00 0.00 H new ATOM 0 HB THR A 12 46.713 57.109 28.061 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.367 55.970 30.122 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.601 55.894 28.715 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.922 55.768 26.969 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.285 54.395 28.041 1.00 0.00 H new ATOM 204 N ILE A 13 46.752 54.819 25.015 1.00 0.00 N ATOM 205 CA ILE A 13 46.270 54.886 23.651 1.00 0.00 C ATOM 206 C ILE A 13 44.769 54.586 23.664 1.00 0.00 C ATOM 207 O ILE A 13 44.343 53.635 24.315 1.00 0.00 O ATOM 208 CB ILE A 13 47.065 53.923 22.776 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.518 54.381 22.678 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.458 53.764 21.384 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.459 53.398 21.988 1.00 0.00 C ATOM 0 H ILE A 13 46.681 53.877 25.401 1.00 0.00 H new ATOM 0 HA ILE A 13 46.414 55.878 23.223 1.00 0.00 H new ATOM 0 HB ILE A 13 47.026 52.943 23.252 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.549 55.329 22.140 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.891 54.573 23.684 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.062 53.068 20.801 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.442 53.378 21.472 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.436 54.732 20.884 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.467 53.813 21.967 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.465 52.455 22.535 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.118 53.223 20.968 1.00 0.00 H new ATOM 223 N THR A 14 43.977 55.382 22.950 1.00 0.00 N ATOM 224 CA THR A 14 42.538 55.237 22.880 1.00 0.00 C ATOM 225 C THR A 14 42.111 54.841 21.465 1.00 0.00 C ATOM 226 O THR A 14 42.360 55.585 20.519 1.00 0.00 O ATOM 227 CB THR A 14 41.824 56.510 23.327 1.00 0.00 C ATOM 228 OG1 THR A 14 42.196 56.831 24.649 1.00 0.00 O ATOM 229 CG2 THR A 14 40.309 56.336 23.320 1.00 0.00 C ATOM 0 H THR A 14 44.332 56.160 22.395 1.00 0.00 H new ATOM 0 HA THR A 14 42.247 54.442 23.567 1.00 0.00 H new ATOM 0 HB THR A 14 42.110 57.296 22.628 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.735 57.650 24.929 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.835 57.263 23.644 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.976 56.091 22.312 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.032 55.530 24.000 1.00 0.00 H new ATOM 237 N LEU A 15 41.458 53.692 21.318 1.00 0.00 N ATOM 238 CA LEU A 15 41.076 53.130 20.038 1.00 0.00 C ATOM 239 C LEU A 15 39.557 53.158 19.853 1.00 0.00 C ATOM 240 O LEU A 15 38.824 52.690 20.720 1.00 0.00 O ATOM 241 CB LEU A 15 41.613 51.708 19.912 1.00 0.00 C ATOM 242 CG LEU A 15 43.119 51.538 20.090 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.466 50.054 20.020 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.932 52.273 19.027 1.00 0.00 C ATOM 0 H LEU A 15 41.175 53.115 22.110 1.00 0.00 H new ATOM 0 HA LEU A 15 41.514 53.741 19.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.108 51.085 20.650 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.339 51.324 18.929 1.00 0.00 H new ATOM 0 HG LEU A 15 43.375 51.967 21.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.541 49.925 20.146 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.941 49.520 20.812 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.164 49.655 19.052 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.995 52.114 19.207 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.670 51.891 18.040 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.712 53.340 19.073 1.00 0.00 H new ATOM 256 N GLU A 16 39.098 53.658 18.709 1.00 0.00 N ATOM 257 CA GLU A 16 37.710 53.653 18.293 1.00 0.00 C ATOM 258 C GLU A 16 37.408 52.371 17.515 1.00 0.00 C ATOM 259 O GLU A 16 37.941 52.167 16.427 1.00 0.00 O ATOM 260 CB GLU A 16 37.422 54.909 17.477 1.00 0.00 C ATOM 261 CG GLU A 16 37.427 56.207 18.277 1.00 0.00 C ATOM 262 CD GLU A 16 36.082 56.610 18.884 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.055 55.931 18.667 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.025 57.688 19.518 1.00 0.00 O ATOM 0 H GLU A 16 39.713 54.094 18.022 1.00 0.00 H new ATOM 0 HA GLU A 16 37.053 53.666 19.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.163 54.986 16.682 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.450 54.798 16.997 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.156 56.115 19.082 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.769 57.013 17.627 1.00 0.00 H new ATOM 271 N VAL A 17 36.613 51.474 18.093 1.00 0.00 N ATOM 272 CA VAL A 17 36.387 50.111 17.657 1.00 0.00 C ATOM 273 C VAL A 17 34.939 49.658 17.862 1.00 0.00 C ATOM 274 O VAL A 17 34.143 50.341 18.502 1.00 0.00 O ATOM 275 CB VAL A 17 37.325 49.144 18.372 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.797 49.414 18.079 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.130 49.129 19.886 1.00 0.00 C ATOM 0 H VAL A 17 36.078 51.701 18.931 1.00 0.00 H new ATOM 0 HA VAL A 17 36.594 50.098 16.587 1.00 0.00 H new ATOM 0 HB VAL A 17 37.054 48.168 17.969 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.413 48.693 18.616 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.978 49.319 17.008 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.053 50.423 18.402 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.827 48.421 20.336 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.316 50.126 20.287 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.108 48.829 20.118 1.00 0.00 H new ATOM 287 N GLU A 18 34.609 48.464 17.378 1.00 0.00 N ATOM 288 CA GLU A 18 33.388 47.738 17.661 1.00 0.00 C ATOM 289 C GLU A 18 33.706 46.454 18.430 1.00 0.00 C ATOM 290 O GLU A 18 34.764 45.870 18.209 1.00 0.00 O ATOM 291 CB GLU A 18 32.652 47.405 16.366 1.00 0.00 C ATOM 292 CG GLU A 18 32.096 48.614 15.619 1.00 0.00 C ATOM 293 CD GLU A 18 31.012 49.373 16.386 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.290 48.780 17.217 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.847 50.588 16.144 1.00 0.00 O ATOM 0 H GLU A 18 35.224 47.955 16.744 1.00 0.00 H new ATOM 0 HA GLU A 18 32.744 48.368 18.274 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.333 46.868 15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.830 46.727 16.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.915 49.298 15.395 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.687 48.282 14.665 1.00 0.00 H new ATOM 302 N PRO A 19 32.830 45.950 19.296 1.00 0.00 N ATOM 303 CA PRO A 19 33.100 44.790 20.122 1.00 0.00 C ATOM 304 C PRO A 19 33.203 43.466 19.363 1.00 0.00 C ATOM 305 O PRO A 19 33.571 42.451 19.949 1.00 0.00 O ATOM 306 CB PRO A 19 31.996 44.765 21.175 1.00 0.00 C ATOM 307 CG PRO A 19 30.829 45.428 20.451 1.00 0.00 C ATOM 308 CD PRO A 19 31.519 46.486 19.594 1.00 0.00 C ATOM 0 HA PRO A 19 34.091 44.886 20.565 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.755 43.748 21.485 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.280 45.314 22.073 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.273 44.715 19.843 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.120 45.873 21.149 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.957 46.678 18.680 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.595 47.434 20.127 1.00 0.00 H new ATOM 316 N SER A 20 32.905 43.472 18.067 1.00 0.00 N ATOM 317 CA SER A 20 33.088 42.385 17.127 1.00 0.00 C ATOM 318 C SER A 20 34.477 42.323 16.486 1.00 0.00 C ATOM 319 O SER A 20 34.748 41.408 15.711 1.00 0.00 O ATOM 320 CB SER A 20 32.023 42.491 16.038 1.00 0.00 C ATOM 321 OG SER A 20 32.130 43.717 15.350 1.00 0.00 O ATOM 0 H SER A 20 32.502 44.296 17.621 1.00 0.00 H new ATOM 0 HA SER A 20 32.989 41.462 17.699 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.131 41.664 15.336 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.032 42.404 16.483 1.00 0.00 H new ATOM 0 HG SER A 20 31.440 43.764 14.656 1.00 0.00 H new ATOM 327 N ASP A 21 35.365 43.270 16.772 1.00 0.00 N ATOM 328 CA ASP A 21 36.753 43.192 16.360 1.00 0.00 C ATOM 329 C ASP A 21 37.503 42.109 17.138 1.00 0.00 C ATOM 330 O ASP A 21 37.302 41.934 18.338 1.00 0.00 O ATOM 331 CB ASP A 21 37.443 44.545 16.506 1.00 0.00 C ATOM 332 CG ASP A 21 37.132 45.539 15.385 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.499 46.726 15.519 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.600 45.144 14.324 1.00 0.00 O ATOM 0 H ASP A 21 35.137 44.114 17.298 1.00 0.00 H new ATOM 0 HA ASP A 21 36.771 42.916 15.306 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.150 44.987 17.458 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.521 44.387 16.546 1.00 0.00 H new ATOM 339 N THR A 22 38.385 41.391 16.449 1.00 0.00 N ATOM 340 CA THR A 22 39.261 40.403 17.044 1.00 0.00 C ATOM 341 C THR A 22 40.532 41.027 17.625 1.00 0.00 C ATOM 342 O THR A 22 40.920 42.125 17.230 1.00 0.00 O ATOM 343 CB THR A 22 39.617 39.244 16.118 1.00 0.00 C ATOM 344 OG1 THR A 22 40.467 39.649 15.068 1.00 0.00 O ATOM 345 CG2 THR A 22 38.390 38.566 15.515 1.00 0.00 C ATOM 0 H THR A 22 38.508 41.486 15.441 1.00 0.00 H new ATOM 0 HA THR A 22 38.674 39.981 17.860 1.00 0.00 H new ATOM 0 HB THR A 22 40.135 38.526 16.753 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.025 40.345 14.539 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.707 37.750 14.866 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.763 38.171 16.314 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.822 39.292 14.934 1.00 0.00 H new ATOM 353 N ILE A 23 41.222 40.329 18.522 1.00 0.00 N ATOM 354 CA ILE A 23 42.465 40.808 19.093 1.00 0.00 C ATOM 355 C ILE A 23 43.535 41.057 18.030 1.00 0.00 C ATOM 356 O ILE A 23 44.288 42.020 18.164 1.00 0.00 O ATOM 357 CB ILE A 23 42.913 39.860 20.203 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.931 39.778 21.368 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.311 40.170 20.730 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.609 41.082 22.092 1.00 0.00 C ATOM 0 H ILE A 23 40.930 39.416 18.870 1.00 0.00 H new ATOM 0 HA ILE A 23 42.297 41.787 19.543 1.00 0.00 H new ATOM 0 HB ILE A 23 42.939 38.884 19.719 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.997 39.357 20.996 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.329 39.074 22.098 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.569 39.461 21.516 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.033 40.089 19.917 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.331 41.182 21.134 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.901 40.886 22.897 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.524 41.503 22.508 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.172 41.790 21.388 1.00 0.00 H new ATOM 372 N GLU A 24 43.581 40.314 16.928 1.00 0.00 N ATOM 373 CA GLU A 24 44.471 40.608 15.823 1.00 0.00 C ATOM 374 C GLU A 24 44.067 41.858 15.038 1.00 0.00 C ATOM 375 O GLU A 24 44.928 42.537 14.483 1.00 0.00 O ATOM 376 CB GLU A 24 44.634 39.377 14.936 1.00 0.00 C ATOM 377 CG GLU A 24 45.783 39.504 13.939 1.00 0.00 C ATOM 378 CD GLU A 24 46.269 38.158 13.398 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.494 37.910 13.417 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.452 37.328 12.942 1.00 0.00 O ATOM 0 H GLU A 24 42.998 39.490 16.781 1.00 0.00 H new ATOM 0 HA GLU A 24 45.447 40.852 16.243 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.802 38.503 15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.706 39.204 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.463 40.128 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.616 40.016 14.420 1.00 0.00 H new ATOM 387 N ASN A 25 42.796 42.249 15.050 1.00 0.00 N ATOM 388 CA ASN A 25 42.387 43.557 14.579 1.00 0.00 C ATOM 389 C ASN A 25 42.840 44.664 15.533 1.00 0.00 C ATOM 390 O ASN A 25 43.325 45.696 15.075 1.00 0.00 O ATOM 391 CB ASN A 25 40.880 43.634 14.353 1.00 0.00 C ATOM 392 CG ASN A 25 40.329 42.574 13.397 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.451 41.786 13.742 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.813 42.544 12.158 1.00 0.00 N ATOM 0 H ASN A 25 42.028 41.667 15.386 1.00 0.00 H new ATOM 0 HA ASN A 25 42.878 43.711 13.618 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.375 43.536 15.314 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.633 44.621 13.962 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.455 41.864 11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.542 43.201 11.879 1.00 0.00 H new ATOM 401 N VAL A 26 42.746 44.454 16.844 1.00 0.00 N ATOM 402 CA VAL A 26 43.224 45.406 17.825 1.00 0.00 C ATOM 403 C VAL A 26 44.738 45.593 17.708 1.00 0.00 C ATOM 404 O VAL A 26 45.190 46.733 17.632 1.00 0.00 O ATOM 405 CB VAL A 26 42.808 45.021 19.243 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.282 46.048 20.266 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.292 44.928 19.384 1.00 0.00 C ATOM 0 H VAL A 26 42.334 43.614 17.250 1.00 0.00 H new ATOM 0 HA VAL A 26 42.752 46.365 17.612 1.00 0.00 H new ATOM 0 HB VAL A 26 43.269 44.051 19.429 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.967 45.740 21.263 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.369 46.118 20.234 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.849 47.021 20.033 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.038 44.652 20.407 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.845 45.893 19.147 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.909 44.172 18.698 1.00 0.00 H new ATOM 417 N LYS A 27 45.520 44.524 17.581 1.00 0.00 N ATOM 418 CA LYS A 27 46.947 44.596 17.343 1.00 0.00 C ATOM 419 C LYS A 27 47.302 45.384 16.080 1.00 0.00 C ATOM 420 O LYS A 27 48.238 46.180 16.115 1.00 0.00 O ATOM 421 CB LYS A 27 47.554 43.202 17.223 1.00 0.00 C ATOM 422 CG LYS A 27 47.688 42.455 18.547 1.00 0.00 C ATOM 423 CD LYS A 27 48.390 41.128 18.270 1.00 0.00 C ATOM 424 CE LYS A 27 48.736 40.356 19.539 1.00 0.00 C ATOM 425 NZ LYS A 27 49.579 39.202 19.190 1.00 0.00 N ATOM 0 H LYS A 27 45.167 43.569 17.643 1.00 0.00 H new ATOM 0 HA LYS A 27 47.361 45.119 18.205 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.939 42.609 16.546 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.540 43.287 16.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.259 43.047 19.262 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.706 42.282 18.988 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.750 40.510 17.640 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.304 41.318 17.707 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.259 41.004 20.242 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.825 40.019 20.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.887 38.722 20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.034 38.539 18.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.413 39.528 18.661 1.00 0.00 H new ATOM 439 N ALA A 28 46.558 45.202 14.993 1.00 0.00 N ATOM 440 CA ALA A 28 46.754 45.955 13.770 1.00 0.00 C ATOM 441 C ALA A 28 46.371 47.430 13.908 1.00 0.00 C ATOM 442 O ALA A 28 47.043 48.286 13.339 1.00 0.00 O ATOM 443 CB ALA A 28 45.981 45.267 12.648 1.00 0.00 C ATOM 0 H ALA A 28 45.799 44.523 14.941 1.00 0.00 H new ATOM 0 HA ALA A 28 47.818 45.962 13.533 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.118 45.821 11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.352 44.250 12.522 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.921 45.238 12.901 1.00 0.00 H new ATOM 449 N LYS A 29 45.355 47.758 14.700 1.00 0.00 N ATOM 450 CA LYS A 29 44.946 49.118 14.991 1.00 0.00 C ATOM 451 C LYS A 29 45.875 49.817 15.985 1.00 0.00 C ATOM 452 O LYS A 29 45.978 51.041 15.937 1.00 0.00 O ATOM 453 CB LYS A 29 43.479 49.142 15.411 1.00 0.00 C ATOM 454 CG LYS A 29 42.549 48.817 14.246 1.00 0.00 C ATOM 455 CD LYS A 29 41.077 48.722 14.636 1.00 0.00 C ATOM 456 CE LYS A 29 40.255 48.266 13.435 1.00 0.00 C ATOM 457 NZ LYS A 29 38.806 48.268 13.691 1.00 0.00 N ATOM 0 H LYS A 29 44.779 47.059 15.169 1.00 0.00 H new ATOM 0 HA LYS A 29 45.037 49.705 14.077 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.319 48.423 16.215 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.231 50.126 15.810 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.663 49.583 13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.858 47.872 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.954 48.020 15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.720 49.691 14.986 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.469 48.918 12.588 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.566 47.261 13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.298 48.031 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.582 47.563 14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.512 49.211 14.017 1.00 0.00 H new ATOM 471 N ILE A 30 46.610 49.077 16.811 1.00 0.00 N ATOM 472 CA ILE A 30 47.751 49.546 17.572 1.00 0.00 C ATOM 473 C ILE A 30 48.954 49.777 16.656 1.00 0.00 C ATOM 474 O ILE A 30 49.553 50.848 16.709 1.00 0.00 O ATOM 475 CB ILE A 30 48.092 48.590 18.712 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.984 48.567 19.761 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.419 48.947 19.375 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.067 47.388 20.725 1.00 0.00 C ATOM 0 H ILE A 30 46.412 48.089 16.971 1.00 0.00 H new ATOM 0 HA ILE A 30 47.485 50.502 18.023 1.00 0.00 H new ATOM 0 HB ILE A 30 48.186 47.597 18.271 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.020 49.494 20.333 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.019 48.542 19.255 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.624 48.242 20.181 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.219 48.897 18.637 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.363 49.957 19.782 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.245 47.443 21.439 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.999 46.455 20.165 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.016 47.422 21.260 1.00 0.00 H new ATOM 490 N GLN A 31 49.296 48.826 15.790 1.00 0.00 N ATOM 491 CA GLN A 31 50.368 48.936 14.822 1.00 0.00 C ATOM 492 C GLN A 31 50.194 50.158 13.917 1.00 0.00 C ATOM 493 O GLN A 31 51.168 50.843 13.614 1.00 0.00 O ATOM 494 CB GLN A 31 50.428 47.648 14.007 1.00 0.00 C ATOM 495 CG GLN A 31 51.595 47.588 13.026 1.00 0.00 C ATOM 496 CD GLN A 31 51.584 46.327 12.160 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.610 45.580 12.082 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.684 46.034 11.472 1.00 0.00 N ATOM 0 H GLN A 31 48.813 47.929 15.747 1.00 0.00 H new ATOM 0 HA GLN A 31 51.310 49.077 15.351 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.497 46.801 14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.496 47.537 13.454 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.565 48.466 12.380 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.532 47.633 13.581 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.499 46.645 11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.713 45.198 10.888 1.00 0.00 H new ATOM 507 N ASP A 32 48.959 50.486 13.551 1.00 0.00 N ATOM 508 CA ASP A 32 48.606 51.674 12.799 1.00 0.00 C ATOM 509 C ASP A 32 49.043 52.986 13.454 1.00 0.00 C ATOM 510 O ASP A 32 49.286 53.960 12.744 1.00 0.00 O ATOM 511 CB ASP A 32 47.094 51.650 12.593 1.00 0.00 C ATOM 512 CG ASP A 32 46.579 52.837 11.776 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.961 52.954 10.591 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.751 53.609 12.303 1.00 0.00 O ATOM 0 H ASP A 32 48.151 49.908 13.781 1.00 0.00 H new ATOM 0 HA ASP A 32 49.145 51.648 11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.817 50.723 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.601 51.645 13.565 1.00 0.00 H new ATOM 519 N LYS A 33 49.173 53.024 14.777 1.00 0.00 N ATOM 520 CA LYS A 33 49.633 54.175 15.528 1.00 0.00 C ATOM 521 C LYS A 33 51.106 54.075 15.928 1.00 0.00 C ATOM 522 O LYS A 33 51.839 55.055 15.808 1.00 0.00 O ATOM 523 CB LYS A 33 48.758 54.425 16.752 1.00 0.00 C ATOM 524 CG LYS A 33 47.266 54.470 16.441 1.00 0.00 C ATOM 525 CD LYS A 33 46.407 54.879 17.635 1.00 0.00 C ATOM 526 CE LYS A 33 46.487 56.357 18.008 1.00 0.00 C ATOM 527 NZ LYS A 33 45.948 57.226 16.951 1.00 0.00 N ATOM 0 H LYS A 33 48.952 52.224 15.370 1.00 0.00 H new ATOM 0 HA LYS A 33 49.545 55.030 14.857 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.943 53.641 17.486 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.053 55.368 17.212 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.094 55.170 15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.946 53.488 16.093 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.368 54.629 17.419 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.705 54.285 18.499 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.935 56.527 18.933 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.525 56.625 18.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.849 58.195 17.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.596 57.226 16.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.017 56.872 16.652 1.00 0.00 H new ATOM 541 N GLU A 34 51.553 52.911 16.387 1.00 0.00 N ATOM 542 CA GLU A 34 52.827 52.744 17.058 1.00 0.00 C ATOM 543 C GLU A 34 53.918 52.062 16.228 1.00 0.00 C ATOM 544 O GLU A 34 55.094 52.166 16.570 1.00 0.00 O ATOM 545 CB GLU A 34 52.601 51.986 18.363 1.00 0.00 C ATOM 546 CG GLU A 34 51.643 52.677 19.328 1.00 0.00 C ATOM 547 CD GLU A 34 52.094 54.091 19.698 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.053 54.241 20.485 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.529 55.094 19.209 1.00 0.00 O ATOM 0 H GLU A 34 51.025 52.043 16.299 1.00 0.00 H new ATOM 0 HA GLU A 34 53.209 53.749 17.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.213 50.994 18.132 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.561 51.845 18.860 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.651 52.723 18.878 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.554 52.079 20.235 1.00 0.00 H new ATOM 556 N GLY A 35 53.570 51.365 15.151 1.00 0.00 N ATOM 557 CA GLY A 35 54.518 50.678 14.298 1.00 0.00 C ATOM 558 C GLY A 35 55.102 49.381 14.862 1.00 0.00 C ATOM 559 O GLY A 35 56.112 48.901 14.352 1.00 0.00 O ATOM 0 H GLY A 35 52.602 51.263 14.846 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.029 50.452 13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.340 51.359 14.078 1.00 0.00 H new ATOM 563 N ILE A 36 54.500 48.807 15.899 1.00 0.00 N ATOM 564 CA ILE A 36 54.969 47.607 16.562 1.00 0.00 C ATOM 565 C ILE A 36 54.322 46.379 15.919 1.00 0.00 C ATOM 566 O ILE A 36 53.097 46.291 15.948 1.00 0.00 O ATOM 567 CB ILE A 36 54.701 47.673 18.062 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.350 48.903 18.690 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.209 46.404 18.742 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.024 49.111 20.166 1.00 0.00 C ATOM 0 H ILE A 36 53.645 49.181 16.310 1.00 0.00 H new ATOM 0 HA ILE A 36 56.049 47.527 16.438 1.00 0.00 H new ATOM 0 HB ILE A 36 53.624 47.752 18.208 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.431 48.824 18.578 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.036 49.787 18.134 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.013 46.461 19.813 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.696 45.537 18.325 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.282 46.306 18.575 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.528 50.008 20.527 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.947 49.226 20.288 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.364 48.248 20.739 1.00 0.00 H new ATOM 582 N PRO A 37 55.069 45.416 15.387 1.00 0.00 N ATOM 583 CA PRO A 37 54.503 44.248 14.744 1.00 0.00 C ATOM 584 C PRO A 37 53.649 43.373 15.666 1.00 0.00 C ATOM 585 O PRO A 37 54.041 43.168 16.812 1.00 0.00 O ATOM 586 CB PRO A 37 55.679 43.452 14.186 1.00 0.00 C ATOM 587 CG PRO A 37 56.733 44.531 13.951 1.00 0.00 C ATOM 588 CD PRO A 37 56.497 45.456 15.141 1.00 0.00 C ATOM 0 HA PRO A 37 53.813 44.576 13.967 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.025 42.694 14.889 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.416 42.935 13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.743 44.122 13.944 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.590 45.043 12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.055 45.121 16.015 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.829 46.471 14.921 1.00 0.00 H new ATOM 596 N PRO A 38 52.542 42.805 15.198 1.00 0.00 N ATOM 597 CA PRO A 38 51.638 41.993 15.989 1.00 0.00 C ATOM 598 C PRO A 38 52.260 40.845 16.787 1.00 0.00 C ATOM 599 O PRO A 38 51.767 40.549 17.873 1.00 0.00 O ATOM 600 CB PRO A 38 50.592 41.476 15.006 1.00 0.00 C ATOM 601 CG PRO A 38 50.475 42.632 14.016 1.00 0.00 C ATOM 602 CD PRO A 38 51.920 43.115 13.927 1.00 0.00 C ATOM 0 HA PRO A 38 51.230 42.620 16.781 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.912 40.555 14.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.642 41.264 15.497 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.093 42.305 13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.805 43.412 14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.444 42.620 13.109 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.958 44.186 13.728 1.00 0.00 H new ATOM 610 N ASP A 39 53.336 40.216 16.324 1.00 0.00 N ATOM 611 CA ASP A 39 53.990 39.152 17.059 1.00 0.00 C ATOM 612 C ASP A 39 54.769 39.635 18.284 1.00 0.00 C ATOM 613 O ASP A 39 54.983 38.863 19.216 1.00 0.00 O ATOM 614 CB ASP A 39 54.921 38.366 16.141 1.00 0.00 C ATOM 615 CG ASP A 39 54.161 37.600 15.056 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.363 37.924 13.865 1.00 0.00 O ATOM 617 OD2 ASP A 39 53.388 36.674 15.383 1.00 0.00 O ATOM 0 H ASP A 39 53.775 40.433 15.429 1.00 0.00 H new ATOM 0 HA ASP A 39 53.189 38.511 17.428 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.627 39.051 15.671 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.506 37.664 16.736 1.00 0.00 H new ATOM 622 N GLN A 40 55.177 40.900 18.309 1.00 0.00 N ATOM 623 CA GLN A 40 55.893 41.518 19.407 1.00 0.00 C ATOM 624 C GLN A 40 54.951 42.130 20.446 1.00 0.00 C ATOM 625 O GLN A 40 55.412 42.570 21.496 1.00 0.00 O ATOM 626 CB GLN A 40 56.892 42.529 18.852 1.00 0.00 C ATOM 627 CG GLN A 40 58.024 41.845 18.091 1.00 0.00 C ATOM 628 CD GLN A 40 58.899 42.818 17.299 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.467 43.775 17.819 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.072 42.580 16.001 1.00 0.00 N ATOM 0 H GLN A 40 55.009 41.542 17.534 1.00 0.00 H new ATOM 0 HA GLN A 40 56.445 40.746 19.944 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.376 43.224 18.190 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.307 43.117 19.670 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.649 41.299 18.798 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.600 41.110 17.407 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.604 41.788 15.561 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.672 43.190 15.446 1.00 0.00 H new ATOM 639 N GLN A 41 53.649 42.140 20.180 1.00 0.00 N ATOM 640 CA GLN A 41 52.600 42.585 21.075 1.00 0.00 C ATOM 641 C GLN A 41 51.962 41.410 21.819 1.00 0.00 C ATOM 642 O GLN A 41 51.537 40.446 21.187 1.00 0.00 O ATOM 643 CB GLN A 41 51.514 43.309 20.285 1.00 0.00 C ATOM 644 CG GLN A 41 51.924 44.545 19.491 1.00 0.00 C ATOM 645 CD GLN A 41 50.717 45.189 18.805 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.632 45.300 19.371 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.821 45.637 17.557 1.00 0.00 N ATOM 0 H GLN A 41 53.283 41.819 19.284 1.00 0.00 H new ATOM 0 HA GLN A 41 53.054 43.258 21.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.071 42.595 19.590 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.730 43.603 20.983 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.396 45.268 20.157 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.667 44.269 18.742 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.708 45.560 17.060 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.014 46.058 17.097 1.00 0.00 H new ATOM 656 N ARG A 42 51.791 41.513 23.134 1.00 0.00 N ATOM 657 CA ARG A 42 50.929 40.650 23.916 1.00 0.00 C ATOM 658 C ARG A 42 49.980 41.506 24.758 1.00 0.00 C ATOM 659 O ARG A 42 50.432 42.336 25.544 1.00 0.00 O ATOM 660 CB ARG A 42 51.784 39.699 24.748 1.00 0.00 C ATOM 661 CG ARG A 42 51.035 38.516 25.355 1.00 0.00 C ATOM 662 CD ARG A 42 50.478 37.511 24.351 1.00 0.00 C ATOM 663 NE ARG A 42 51.496 36.983 23.443 1.00 0.00 N ATOM 664 CZ ARG A 42 52.343 35.966 23.654 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.348 35.204 24.756 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.256 35.690 22.711 1.00 0.00 N ATOM 0 H ARG A 42 52.264 42.221 23.695 1.00 0.00 H new ATOM 0 HA ARG A 42 50.306 40.032 23.269 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.589 39.316 24.121 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.250 40.266 25.554 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.707 37.991 26.034 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.210 38.899 25.956 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.017 36.684 24.891 1.00 0.00 H new ATOM 0 HD3 ARG A 42 49.691 37.988 23.767 1.00 0.00 H new ATOM 0 HE ARG A 42 51.570 37.446 22.537 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.676 35.383 25.503 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.023 34.445 24.848 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.294 36.249 21.859 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.913 34.921 22.846 1.00 0.00 H new ATOM 680 N LEU A 43 48.673 41.350 24.569 1.00 0.00 N ATOM 681 CA LEU A 43 47.649 42.153 25.207 1.00 0.00 C ATOM 682 C LEU A 43 47.101 41.419 26.432 1.00 0.00 C ATOM 683 O LEU A 43 46.777 40.237 26.346 1.00 0.00 O ATOM 684 CB LEU A 43 46.555 42.506 24.204 1.00 0.00 C ATOM 685 CG LEU A 43 46.879 43.651 23.249 1.00 0.00 C ATOM 686 CD1 LEU A 43 47.978 43.335 22.238 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.630 44.010 22.450 1.00 0.00 C ATOM 0 H LEU A 43 48.291 40.637 23.947 1.00 0.00 H new ATOM 0 HA LEU A 43 48.080 43.092 25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.328 41.618 23.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.650 42.762 24.756 1.00 0.00 H new ATOM 0 HG LEU A 43 47.230 44.466 23.881 1.00 0.00 H new ATOM 0 HD11 LEU A 43 48.145 44.202 21.599 1.00 0.00 H new ATOM 0 HD12 LEU A 43 48.900 43.091 22.767 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.676 42.486 21.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 45.858 44.828 21.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.301 43.141 21.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.838 44.317 23.132 1.00 0.00 H new ATOM 699 N ILE A 44 47.007 42.110 27.566 1.00 0.00 N ATOM 700 CA ILE A 44 46.652 41.566 28.861 1.00 0.00 C ATOM 701 C ILE A 44 45.435 42.293 29.437 1.00 0.00 C ATOM 702 O ILE A 44 45.406 43.521 29.460 1.00 0.00 O ATOM 703 CB ILE A 44 47.820 41.661 29.839 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.209 41.339 29.294 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.547 40.808 31.074 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.438 39.914 28.801 1.00 0.00 C ATOM 0 H ILE A 44 47.187 43.113 27.601 1.00 0.00 H new ATOM 0 HA ILE A 44 46.404 40.514 28.719 1.00 0.00 H new ATOM 0 HB ILE A 44 47.864 42.723 30.079 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.418 42.022 28.470 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.939 41.550 30.076 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.388 40.885 31.763 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.641 41.161 31.567 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.416 39.768 30.776 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.462 39.814 28.440 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.272 39.215 29.620 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.744 39.694 27.990 1.00 0.00 H new ATOM 718 N PHE A 45 44.466 41.557 29.972 1.00 0.00 N ATOM 719 CA PHE A 45 43.385 42.087 30.777 1.00 0.00 C ATOM 720 C PHE A 45 43.352 41.391 32.139 1.00 0.00 C ATOM 721 O PHE A 45 43.220 40.171 32.206 1.00 0.00 O ATOM 722 CB PHE A 45 42.060 41.946 30.032 1.00 0.00 C ATOM 723 CG PHE A 45 40.912 42.689 30.673 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.613 43.996 30.272 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.153 42.085 31.683 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.570 44.699 30.886 1.00 0.00 C ATOM 727 CE2 PHE A 45 39.112 42.788 32.301 1.00 0.00 C ATOM 728 CZ PHE A 45 38.822 44.098 31.906 1.00 0.00 C ATOM 0 H PHE A 45 44.415 40.546 29.850 1.00 0.00 H new ATOM 0 HA PHE A 45 43.551 43.149 30.956 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.189 42.307 29.012 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.803 40.889 29.966 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.189 44.463 29.487 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.372 41.072 31.987 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.342 45.707 30.573 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.533 42.319 33.083 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.024 44.644 32.386 1.00 0.00 H new ATOM 738 N ALA A 46 43.490 42.151 33.222 1.00 0.00 N ATOM 739 CA ALA A 46 43.532 41.662 34.586 1.00 0.00 C ATOM 740 C ALA A 46 44.418 40.430 34.787 1.00 0.00 C ATOM 741 O ALA A 46 44.009 39.426 35.365 1.00 0.00 O ATOM 742 CB ALA A 46 42.099 41.515 35.090 1.00 0.00 C ATOM 0 H ALA A 46 43.579 43.166 33.165 1.00 0.00 H new ATOM 0 HA ALA A 46 44.039 42.397 35.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 42.110 41.148 36.116 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.600 42.484 35.057 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.562 40.809 34.457 1.00 0.00 H new ATOM 748 N GLY A 47 45.638 40.465 34.258 1.00 0.00 N ATOM 749 CA GLY A 47 46.604 39.386 34.320 1.00 0.00 C ATOM 750 C GLY A 47 46.397 38.209 33.365 1.00 0.00 C ATOM 751 O GLY A 47 47.226 37.301 33.379 1.00 0.00 O ATOM 0 H GLY A 47 45.989 41.281 33.756 1.00 0.00 H new ATOM 0 HA2 GLY A 47 47.592 39.805 34.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.612 38.998 35.338 1.00 0.00 H new ATOM 755 N LYS A 48 45.358 38.194 32.535 1.00 0.00 N ATOM 756 CA LYS A 48 45.092 37.174 31.542 1.00 0.00 C ATOM 757 C LYS A 48 45.445 37.639 30.127 1.00 0.00 C ATOM 758 O LYS A 48 45.064 38.737 29.726 1.00 0.00 O ATOM 759 CB LYS A 48 43.642 36.709 31.645 1.00 0.00 C ATOM 760 CG LYS A 48 43.302 35.610 30.642 1.00 0.00 C ATOM 761 CD LYS A 48 41.888 35.078 30.860 1.00 0.00 C ATOM 762 CE LYS A 48 41.386 34.215 29.707 1.00 0.00 C ATOM 763 NZ LYS A 48 42.099 32.934 29.582 1.00 0.00 N ATOM 0 H LYS A 48 44.650 38.929 32.542 1.00 0.00 H new ATOM 0 HA LYS A 48 45.740 36.323 31.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.453 36.345 32.655 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.980 37.560 31.484 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.394 35.999 29.628 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.018 34.794 30.737 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.865 34.493 31.780 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.208 35.918 30.999 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.323 34.018 29.846 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.488 34.771 28.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.710 32.397 28.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.110 33.114 29.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.981 32.384 30.457 1.00 0.00 H new ATOM 777 N GLN A 49 46.136 36.797 29.364 1.00 0.00 N ATOM 778 CA GLN A 49 46.494 37.058 27.985 1.00 0.00 C ATOM 779 C GLN A 49 45.288 36.943 27.050 1.00 0.00 C ATOM 780 O GLN A 49 44.540 35.969 27.093 1.00 0.00 O ATOM 781 CB GLN A 49 47.593 36.093 27.550 1.00 0.00 C ATOM 782 CG GLN A 49 48.923 36.299 28.269 1.00 0.00 C ATOM 783 CD GLN A 49 49.921 35.201 27.894 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.291 35.035 26.734 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.367 34.389 28.848 1.00 0.00 N ATOM 0 H GLN A 49 46.468 35.894 29.702 1.00 0.00 H new ATOM 0 HA GLN A 49 46.858 38.083 27.920 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.254 35.071 27.722 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.752 36.200 26.477 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.334 37.274 28.009 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.762 36.298 29.347 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.064 34.521 29.813 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.012 33.634 28.615 1.00 0.00 H new ATOM 794 N LEU A 50 45.131 37.926 26.168 1.00 0.00 N ATOM 795 CA LEU A 50 44.096 37.988 25.157 1.00 0.00 C ATOM 796 C LEU A 50 44.573 37.360 23.847 1.00 0.00 C ATOM 797 O LEU A 50 45.708 37.582 23.428 1.00 0.00 O ATOM 798 CB LEU A 50 43.645 39.433 24.959 1.00 0.00 C ATOM 799 CG LEU A 50 43.221 40.192 26.213 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.746 41.588 25.819 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.082 39.498 26.956 1.00 0.00 C ATOM 0 H LEU A 50 45.753 38.734 26.143 1.00 0.00 H new ATOM 0 HA LEU A 50 43.237 37.409 25.496 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.459 39.983 24.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.809 39.437 24.259 1.00 0.00 H new ATOM 0 HG LEU A 50 44.088 40.234 26.873 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.442 42.134 26.712 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.558 42.123 25.325 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.899 41.505 25.138 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.818 40.078 27.840 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.214 39.420 26.301 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.399 38.500 27.258 1.00 0.00 H new ATOM 813 N GLU A 51 43.723 36.572 23.194 1.00 0.00 N ATOM 814 CA GLU A 51 44.079 35.728 22.072 1.00 0.00 C ATOM 815 C GLU A 51 43.573 36.243 20.723 1.00 0.00 C ATOM 816 O GLU A 51 42.390 36.533 20.554 1.00 0.00 O ATOM 817 CB GLU A 51 43.612 34.296 22.317 1.00 0.00 C ATOM 818 CG GLU A 51 44.433 33.635 23.421 1.00 0.00 C ATOM 819 CD GLU A 51 43.849 32.271 23.794 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.402 32.115 24.951 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.869 31.352 22.947 1.00 0.00 O ATOM 0 H GLU A 51 42.736 36.506 23.445 1.00 0.00 H new ATOM 0 HA GLU A 51 45.167 35.752 22.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.558 34.296 22.593 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.701 33.718 21.397 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.465 33.515 23.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.453 34.279 24.300 1.00 0.00 H new ATOM 828 N ASP A 52 44.490 36.296 19.762 1.00 0.00 N ATOM 829 CA ASP A 52 44.409 36.907 18.451 1.00 0.00 C ATOM 830 C ASP A 52 43.111 36.665 17.678 1.00 0.00 C ATOM 831 O ASP A 52 42.608 37.597 17.054 1.00 0.00 O ATOM 832 CB ASP A 52 45.646 36.462 17.677 1.00 0.00 C ATOM 833 CG ASP A 52 46.932 37.005 18.305 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.269 36.581 19.431 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.584 37.882 17.699 1.00 0.00 O ATOM 0 H ASP A 52 45.403 35.864 19.904 1.00 0.00 H new ATOM 0 HA ASP A 52 44.386 37.989 18.585 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.686 35.373 17.650 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.572 36.804 16.645 1.00 0.00 H new ATOM 840 N GLY A 53 42.540 35.464 17.727 1.00 0.00 N ATOM 841 CA GLY A 53 41.316 35.108 17.038 1.00 0.00 C ATOM 842 C GLY A 53 40.003 35.464 17.737 1.00 0.00 C ATOM 843 O GLY A 53 38.964 35.460 17.081 1.00 0.00 O ATOM 0 H GLY A 53 42.934 34.692 18.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.323 35.592 16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.326 34.032 16.861 1.00 0.00 H new ATOM 847 N ARG A 54 40.010 35.763 19.033 1.00 0.00 N ATOM 848 CA ARG A 54 38.811 36.018 19.806 1.00 0.00 C ATOM 849 C ARG A 54 38.382 37.484 19.727 1.00 0.00 C ATOM 850 O ARG A 54 39.221 38.360 19.526 1.00 0.00 O ATOM 851 CB ARG A 54 38.986 35.558 21.250 1.00 0.00 C ATOM 852 CG ARG A 54 39.063 34.038 21.355 1.00 0.00 C ATOM 853 CD ARG A 54 39.032 33.583 22.812 1.00 0.00 C ATOM 854 NE ARG A 54 39.154 32.127 22.891 1.00 0.00 N ATOM 855 CZ ARG A 54 38.721 31.308 23.859 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.076 31.734 24.954 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.952 29.997 23.715 1.00 0.00 N ATOM 0 H ARG A 54 40.868 35.835 19.580 1.00 0.00 H new ATOM 0 HA ARG A 54 38.005 35.432 19.365 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.894 35.997 21.664 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.153 35.922 21.851 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.229 33.591 20.814 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.978 33.684 20.880 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.845 34.054 23.365 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.101 33.903 23.280 1.00 0.00 H new ATOM 0 HE ARG A 54 39.630 31.678 22.109 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.892 32.729 25.083 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.769 31.063 25.659 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.443 29.653 22.889 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.637 29.342 24.431 1.00 0.00 H new ATOM 871 N THR A 55 37.090 37.755 19.887 1.00 0.00 N ATOM 872 CA THR A 55 36.539 39.095 19.847 1.00 0.00 C ATOM 873 C THR A 55 36.595 39.794 21.206 1.00 0.00 C ATOM 874 O THR A 55 36.648 39.148 22.251 1.00 0.00 O ATOM 875 CB THR A 55 35.119 39.157 19.291 1.00 0.00 C ATOM 876 OG1 THR A 55 34.205 38.512 20.148 1.00 0.00 O ATOM 877 CG2 THR A 55 34.986 38.545 17.899 1.00 0.00 C ATOM 0 H THR A 55 36.389 37.033 20.051 1.00 0.00 H new ATOM 0 HA THR A 55 37.185 39.632 19.153 1.00 0.00 H new ATOM 0 HB THR A 55 34.889 40.220 19.219 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.291 37.541 20.047 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.951 38.623 17.565 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.633 39.079 17.203 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.278 37.495 17.934 1.00 0.00 H new ATOM 885 N LEU A 56 36.509 41.121 21.208 1.00 0.00 N ATOM 886 CA LEU A 56 36.359 41.905 22.418 1.00 0.00 C ATOM 887 C LEU A 56 35.148 41.473 23.247 1.00 0.00 C ATOM 888 O LEU A 56 35.229 41.419 24.471 1.00 0.00 O ATOM 889 CB LEU A 56 36.275 43.381 22.041 1.00 0.00 C ATOM 890 CG LEU A 56 37.541 43.989 21.443 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.264 45.424 21.002 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.689 44.018 22.448 1.00 0.00 C ATOM 0 H LEU A 56 36.542 41.683 20.358 1.00 0.00 H new ATOM 0 HA LEU A 56 37.230 41.736 23.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.462 43.508 21.327 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.008 43.949 22.932 1.00 0.00 H new ATOM 0 HG LEU A 56 37.828 43.366 20.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.170 45.855 20.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.473 45.428 20.252 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.951 46.015 21.863 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.570 44.458 21.981 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.400 44.615 23.313 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.918 43.002 22.768 1.00 0.00 H new ATOM 904 N SER A 57 34.049 41.092 22.602 1.00 0.00 N ATOM 905 CA SER A 57 32.880 40.519 23.238 1.00 0.00 C ATOM 906 C SER A 57 33.135 39.172 23.916 1.00 0.00 C ATOM 907 O SER A 57 32.594 38.917 24.989 1.00 0.00 O ATOM 908 CB SER A 57 31.771 40.369 22.199 1.00 0.00 C ATOM 909 OG SER A 57 30.578 39.924 22.802 1.00 0.00 O ATOM 0 H SER A 57 33.950 41.179 21.590 1.00 0.00 H new ATOM 0 HA SER A 57 32.589 41.205 24.033 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.599 41.324 21.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.081 39.662 21.429 1.00 0.00 H new ATOM 0 HG SER A 57 29.880 39.836 22.120 1.00 0.00 H new ATOM 915 N ASP A 58 34.003 38.322 23.374 1.00 0.00 N ATOM 916 CA ASP A 58 34.399 37.079 24.007 1.00 0.00 C ATOM 917 C ASP A 58 35.176 37.280 25.309 1.00 0.00 C ATOM 918 O ASP A 58 35.280 36.357 26.114 1.00 0.00 O ATOM 919 CB ASP A 58 35.195 36.192 23.054 1.00 0.00 C ATOM 920 CG ASP A 58 34.418 35.764 21.806 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.349 35.132 21.940 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.890 36.067 20.689 1.00 0.00 O ATOM 0 H ASP A 58 34.453 38.484 22.473 1.00 0.00 H new ATOM 0 HA ASP A 58 33.467 36.577 24.266 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.095 36.724 22.745 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.521 35.301 23.590 1.00 0.00 H new ATOM 927 N TYR A 59 35.672 38.488 25.564 1.00 0.00 N ATOM 928 CA TYR A 59 36.310 38.898 26.798 1.00 0.00 C ATOM 929 C TYR A 59 35.494 39.891 27.627 1.00 0.00 C ATOM 930 O TYR A 59 36.012 40.412 28.612 1.00 0.00 O ATOM 931 CB TYR A 59 37.714 39.408 26.484 1.00 0.00 C ATOM 932 CG TYR A 59 38.659 38.340 25.990 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.089 37.343 26.874 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.142 38.374 24.676 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.011 36.379 26.453 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.081 37.427 24.249 1.00 0.00 C ATOM 937 CZ TYR A 59 40.514 36.423 25.138 1.00 0.00 C ATOM 938 OH TYR A 59 41.451 35.514 24.745 1.00 0.00 O ATOM 0 H TYR A 59 35.635 39.241 24.876 1.00 0.00 H new ATOM 0 HA TYR A 59 36.378 38.022 27.443 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.644 40.193 25.731 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.133 39.863 27.381 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.708 37.318 27.884 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.790 39.131 23.991 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.336 35.605 27.133 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.472 37.466 23.243 1.00 0.00 H new ATOM 0 HH TYR A 59 41.325 34.679 25.241 1.00 0.00 H new ATOM 948 N ASN A 60 34.240 40.169 27.278 1.00 0.00 N ATOM 949 CA ASN A 60 33.407 41.167 27.918 1.00 0.00 C ATOM 950 C ASN A 60 34.068 42.542 28.037 1.00 0.00 C ATOM 951 O ASN A 60 33.969 43.217 29.059 1.00 0.00 O ATOM 952 CB ASN A 60 32.824 40.630 29.221 1.00 0.00 C ATOM 953 CG ASN A 60 31.698 41.511 29.766 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.069 42.287 29.052 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.400 41.431 31.060 1.00 0.00 N ATOM 0 H ASN A 60 33.766 39.686 26.515 1.00 0.00 H new ATOM 0 HA ASN A 60 32.563 41.359 27.255 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.445 39.621 29.057 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.616 40.556 29.966 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.656 42.011 31.449 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.915 40.790 31.663 1.00 0.00 H new ATOM 962 N ILE A 61 34.784 42.967 27.000 1.00 0.00 N ATOM 963 CA ILE A 61 35.383 44.284 26.929 1.00 0.00 C ATOM 964 C ILE A 61 34.326 45.263 26.411 1.00 0.00 C ATOM 965 O ILE A 61 33.744 45.074 25.345 1.00 0.00 O ATOM 966 CB ILE A 61 36.678 44.252 26.122 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.705 43.369 26.824 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.229 45.663 25.937 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.951 43.054 26.000 1.00 0.00 C ATOM 0 H ILE A 61 34.963 42.393 26.176 1.00 0.00 H new ATOM 0 HA ILE A 61 35.691 44.634 27.914 1.00 0.00 H new ATOM 0 HB ILE A 61 36.467 43.836 25.137 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.012 43.858 27.748 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.226 42.431 27.104 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.152 45.620 25.359 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.497 46.273 25.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.431 46.105 26.912 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.622 42.422 26.582 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.662 42.533 25.087 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.461 43.982 25.742 1.00 0.00 H new ATOM 981 N GLN A 62 34.060 46.297 27.205 1.00 0.00 N ATOM 982 CA GLN A 62 33.064 47.324 26.973 1.00 0.00 C ATOM 983 C GLN A 62 33.716 48.699 26.827 1.00 0.00 C ATOM 984 O GLN A 62 34.899 48.855 27.122 1.00 0.00 O ATOM 985 CB GLN A 62 32.073 47.317 28.133 1.00 0.00 C ATOM 986 CG GLN A 62 31.327 45.998 28.313 1.00 0.00 C ATOM 987 CD GLN A 62 30.372 45.984 29.509 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.916 47.008 30.012 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.011 44.802 30.001 1.00 0.00 N ATOM 0 H GLN A 62 34.567 46.443 28.078 1.00 0.00 H new ATOM 0 HA GLN A 62 32.540 47.114 26.041 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.608 47.547 29.054 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.346 48.114 27.979 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.761 45.785 27.406 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.054 45.194 28.431 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.382 43.944 29.592 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.363 44.753 30.787 1.00 0.00 H new ATOM 998 N LYS A 63 32.953 49.719 26.443 1.00 0.00 N ATOM 999 CA LYS A 63 33.382 51.102 26.408 1.00 0.00 C ATOM 1000 C LYS A 63 34.121 51.529 27.678 1.00 0.00 C ATOM 1001 O LYS A 63 33.751 51.128 28.780 1.00 0.00 O ATOM 1002 CB LYS A 63 32.190 52.014 26.134 1.00 0.00 C ATOM 1003 CG LYS A 63 31.135 52.038 27.236 1.00 0.00 C ATOM 1004 CD LYS A 63 29.914 52.857 26.824 1.00 0.00 C ATOM 1005 CE LYS A 63 28.820 52.875 27.888 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.219 53.596 29.105 1.00 0.00 N ATOM 0 H LYS A 63 31.987 49.594 26.139 1.00 0.00 H new ATOM 0 HA LYS A 63 34.100 51.196 25.593 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.555 53.029 25.978 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.716 51.700 25.204 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.828 51.018 27.470 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.566 52.458 28.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.224 53.880 26.613 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.506 52.450 25.899 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.925 53.339 27.474 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.557 51.850 28.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.432 53.591 29.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.047 53.130 29.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.461 54.578 28.863 1.00 0.00 H new ATOM 1020 N GLU A 64 35.188 52.310 27.536 1.00 0.00 N ATOM 1021 CA GLU A 64 36.025 52.802 28.611 1.00 0.00 C ATOM 1022 C GLU A 64 36.747 51.738 29.439 1.00 0.00 C ATOM 1023 O GLU A 64 37.257 52.028 30.519 1.00 0.00 O ATOM 1024 CB GLU A 64 35.295 53.824 29.479 1.00 0.00 C ATOM 1025 CG GLU A 64 34.668 54.993 28.724 1.00 0.00 C ATOM 1026 CD GLU A 64 34.091 56.021 29.698 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.891 55.944 30.043 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.837 56.923 30.133 1.00 0.00 O ATOM 0 H GLU A 64 35.503 52.629 26.620 1.00 0.00 H new ATOM 0 HA GLU A 64 36.840 53.313 28.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.511 53.310 30.035 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.997 54.221 30.212 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.418 55.467 28.090 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.880 54.626 28.066 1.00 0.00 H new ATOM 1035 N SER A 65 36.845 50.495 28.975 1.00 0.00 N ATOM 1036 CA SER A 65 37.667 49.474 29.594 1.00 0.00 C ATOM 1037 C SER A 65 39.151 49.637 29.261 1.00 0.00 C ATOM 1038 O SER A 65 39.486 50.102 28.174 1.00 0.00 O ATOM 1039 CB SER A 65 37.227 48.074 29.174 1.00 0.00 C ATOM 1040 OG SER A 65 35.848 47.882 29.395 1.00 0.00 O ATOM 0 H SER A 65 36.346 50.170 28.147 1.00 0.00 H new ATOM 0 HA SER A 65 37.533 49.598 30.669 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.453 47.921 28.119 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.794 47.329 29.733 1.00 0.00 H new ATOM 0 HG SER A 65 35.342 48.233 28.633 1.00 0.00 H new ATOM 1046 N THR A 66 40.039 49.182 30.141 1.00 0.00 N ATOM 1047 CA THR A 66 41.477 49.235 29.970 1.00 0.00 C ATOM 1048 C THR A 66 42.096 47.842 29.828 1.00 0.00 C ATOM 1049 O THR A 66 41.833 46.954 30.636 1.00 0.00 O ATOM 1050 CB THR A 66 42.170 49.973 31.112 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.655 51.277 31.244 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.669 50.143 30.881 1.00 0.00 C ATOM 0 H THR A 66 39.760 48.752 31.023 1.00 0.00 H new ATOM 0 HA THR A 66 41.637 49.789 29.045 1.00 0.00 H new ATOM 0 HB THR A 66 41.991 49.364 31.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.109 51.735 31.982 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.109 50.674 31.725 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.136 49.163 30.786 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.834 50.714 29.967 1.00 0.00 H new ATOM 1060 N LEU A 67 42.996 47.693 28.861 1.00 0.00 N ATOM 1061 CA LEU A 67 43.901 46.568 28.733 1.00 0.00 C ATOM 1062 C LEU A 67 45.347 47.064 28.691 1.00 0.00 C ATOM 1063 O LEU A 67 45.616 48.227 28.398 1.00 0.00 O ATOM 1064 CB LEU A 67 43.477 45.687 27.561 1.00 0.00 C ATOM 1065 CG LEU A 67 43.711 46.245 26.160 1.00 0.00 C ATOM 1066 CD1 LEU A 67 45.125 45.988 25.648 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.757 45.589 25.166 1.00 0.00 C ATOM 0 H LEU A 67 43.115 48.382 28.119 1.00 0.00 H new ATOM 0 HA LEU A 67 43.847 45.920 29.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.006 44.737 27.641 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.414 45.469 27.667 1.00 0.00 H new ATOM 0 HG LEU A 67 43.546 47.320 26.237 1.00 0.00 H new ATOM 0 HD11 LEU A 67 45.232 46.407 24.648 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.845 46.458 26.317 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.310 44.914 25.613 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.933 45.995 24.170 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.927 44.512 25.154 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.728 45.790 25.463 1.00 0.00 H new ATOM 1079 N HIS A 68 46.291 46.174 28.985 1.00 0.00 N ATOM 1080 CA HIS A 68 47.705 46.471 29.089 1.00 0.00 C ATOM 1081 C HIS A 68 48.480 45.812 27.947 1.00 0.00 C ATOM 1082 O HIS A 68 48.131 44.717 27.510 1.00 0.00 O ATOM 1083 CB HIS A 68 48.219 46.041 30.460 1.00 0.00 C ATOM 1084 CG HIS A 68 47.368 46.576 31.579 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.377 47.884 32.058 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.367 45.877 32.204 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.399 47.951 32.965 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.775 46.768 33.077 1.00 0.00 N ATOM 0 H HIS A 68 46.078 45.192 29.163 1.00 0.00 H new ATOM 0 HA HIS A 68 47.860 47.546 28.995 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.243 44.953 30.512 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.244 46.389 30.587 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.098 44.843 32.046 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.145 48.835 33.531 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.995 46.562 33.701 1.00 0.00 H new ATOM 1096 N LEU A 69 49.528 46.472 27.462 1.00 0.00 N ATOM 1097 CA LEU A 69 50.378 45.992 26.391 1.00 0.00 C ATOM 1098 C LEU A 69 51.736 45.572 26.957 1.00 0.00 C ATOM 1099 O LEU A 69 52.495 46.406 27.446 1.00 0.00 O ATOM 1100 CB LEU A 69 50.459 47.076 25.320 1.00 0.00 C ATOM 1101 CG LEU A 69 51.354 46.754 24.127 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.947 45.476 23.398 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.298 47.903 23.125 1.00 0.00 C ATOM 0 H LEU A 69 49.813 47.384 27.819 1.00 0.00 H new ATOM 0 HA LEU A 69 49.966 45.100 25.918 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.452 47.276 24.953 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.818 47.995 25.784 1.00 0.00 H new ATOM 0 HG LEU A 69 52.359 46.611 24.525 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.623 45.304 22.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.000 44.632 24.086 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.927 45.578 23.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.937 47.674 22.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.272 48.038 22.783 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.645 48.819 23.602 1.00 0.00 H new ATOM 1115 N VAL A 70 52.038 44.280 26.868 1.00 0.00 N ATOM 1116 CA VAL A 70 53.342 43.705 27.128 1.00 0.00 C ATOM 1117 C VAL A 70 54.093 43.588 25.800 1.00 0.00 C ATOM 1118 O VAL A 70 53.529 43.156 24.797 1.00 0.00 O ATOM 1119 CB VAL A 70 53.216 42.357 27.832 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.552 41.636 27.988 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.634 42.545 29.230 1.00 0.00 C ATOM 0 H VAL A 70 51.346 43.580 26.601 1.00 0.00 H new ATOM 0 HA VAL A 70 53.906 44.351 27.800 1.00 0.00 H new ATOM 0 HB VAL A 70 52.564 41.753 27.202 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.395 40.684 28.496 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.985 41.455 27.004 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.232 42.253 28.576 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.549 41.576 29.722 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.290 43.192 29.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.647 43.002 29.155 1.00 0.00 H new ATOM 1131 N LEU A 71 55.363 43.984 25.798 1.00 0.00 N ATOM 1132 CA LEU A 71 56.198 43.996 24.614 1.00 0.00 C ATOM 1133 C LEU A 71 57.308 42.945 24.677 1.00 0.00 C ATOM 1134 O LEU A 71 58.041 42.854 25.659 1.00 0.00 O ATOM 1135 CB LEU A 71 56.738 45.404 24.386 1.00 0.00 C ATOM 1136 CG LEU A 71 55.676 46.459 24.089 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.364 47.805 23.882 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.865 46.146 22.834 1.00 0.00 C ATOM 0 H LEU A 71 55.843 44.310 26.637 1.00 0.00 H new ATOM 0 HA LEU A 71 55.588 43.720 23.754 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.297 45.711 25.270 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.444 45.377 23.556 1.00 0.00 H new ATOM 0 HG LEU A 71 54.992 46.475 24.937 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.615 48.568 23.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.911 48.076 24.785 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.058 47.734 23.044 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.126 46.931 22.673 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.532 46.094 21.973 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.358 45.189 22.958 1.00 0.00 H new ATOM 1150 N ARG A 72 57.443 42.172 23.603 1.00 0.00 N ATOM 1151 CA ARG A 72 58.320 41.024 23.489 1.00 0.00 C ATOM 1152 C ARG A 72 59.295 41.186 22.320 1.00 0.00 C ATOM 1153 O ARG A 72 59.225 40.480 21.317 1.00 0.00 O ATOM 1154 CB ARG A 72 57.481 39.753 23.402 1.00 0.00 C ATOM 1155 CG ARG A 72 56.636 39.429 24.631 1.00 0.00 C ATOM 1156 CD ARG A 72 57.486 39.272 25.888 1.00 0.00 C ATOM 1157 NE ARG A 72 56.708 38.849 27.053 1.00 0.00 N ATOM 1158 CZ ARG A 72 57.189 38.793 28.302 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.447 39.142 28.601 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.437 38.402 29.341 1.00 0.00 N ATOM 0 H ARG A 72 56.914 42.343 22.748 1.00 0.00 H new ATOM 0 HA ARG A 72 58.943 40.946 24.380 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.818 39.836 22.541 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.148 38.912 23.211 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.904 40.221 24.786 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.078 38.510 24.454 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.273 38.542 25.699 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.976 40.220 26.110 1.00 0.00 H new ATOM 0 HE ARG A 72 55.736 38.579 26.904 1.00 0.00 H new ATOM 0 HH11 ARG A 72 59.075 39.464 27.865 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.777 39.086 29.565 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.464 38.135 29.194 1.00 0.00 H new ATOM 0 HH22 ARG A 72 56.838 38.372 30.278 1.00 0.00 H new ATOM 1174 N LEU A 73 60.175 42.179 22.418 1.00 0.00 N ATOM 1175 CA LEU A 73 61.142 42.520 21.393 1.00 0.00 C ATOM 1176 C LEU A 73 62.275 41.495 21.296 1.00 0.00 C ATOM 1177 O LEU A 73 62.615 40.817 22.262 1.00 0.00 O ATOM 1178 CB LEU A 73 61.667 43.932 21.634 1.00 0.00 C ATOM 1179 CG LEU A 73 60.815 45.059 21.059 1.00 0.00 C ATOM 1180 CD1 LEU A 73 59.398 45.111 21.622 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.478 46.400 21.364 1.00 0.00 C ATOM 0 H LEU A 73 60.232 42.782 23.238 1.00 0.00 H new ATOM 0 HA LEU A 73 60.639 42.495 20.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.764 44.086 22.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.669 44.005 21.210 1.00 0.00 H new ATOM 0 HG LEU A 73 60.743 44.863 19.989 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.855 45.938 21.165 1.00 0.00 H new ATOM 0 HD12 LEU A 73 58.885 44.175 21.403 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.440 45.257 22.701 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.871 47.207 20.954 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.567 46.525 22.443 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.470 46.427 20.913 1.00 0.00 H new ATOM 1193 N ARG A 74 62.882 41.403 20.116 1.00 0.00 N ATOM 1194 CA ARG A 74 63.958 40.490 19.787 1.00 0.00 C ATOM 1195 C ARG A 74 65.271 40.846 20.486 1.00 0.00 C ATOM 1196 O ARG A 74 65.515 41.998 20.839 1.00 0.00 O ATOM 1197 CB ARG A 74 64.112 40.420 18.270 1.00 0.00 C ATOM 1198 CG ARG A 74 62.906 39.789 17.578 1.00 0.00 C ATOM 1199 CD ARG A 74 63.083 39.802 16.062 1.00 0.00 C ATOM 1200 NE ARG A 74 61.952 39.190 15.365 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.733 39.199 14.043 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.491 39.913 13.200 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.728 38.487 13.515 1.00 0.00 N ATOM 0 H ARG A 74 62.619 41.995 19.328 1.00 0.00 H new ATOM 0 HA ARG A 74 63.696 39.501 20.162 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.264 41.426 17.879 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.006 39.845 18.027 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.777 38.764 17.925 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.001 40.333 17.848 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.203 40.830 15.721 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.998 39.271 15.801 1.00 0.00 H new ATOM 0 HE ARG A 74 61.262 38.709 15.942 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.264 40.473 13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.295 39.896 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.123 37.933 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.568 38.500 12.508 1.00 0.00 H new ATOM 1217 N GLY A 75 66.112 39.833 20.681 1.00 0.00 N ATOM 1218 CA GLY A 75 67.393 39.875 21.356 1.00 0.00 C ATOM 1219 C GLY A 75 68.085 38.510 21.370 1.00 0.00 C ATOM 1220 O GLY A 75 67.430 37.491 21.165 1.00 0.00 O ATOM 0 H GLY A 75 65.893 38.895 20.344 1.00 0.00 H new ATOM 0 HA2 GLY A 75 68.038 40.602 20.863 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.251 40.219 22.381 1.00 0.00 H new ATOM 1224 N GLY A 76 69.394 38.489 21.602 1.00 0.00 N ATOM 1225 CA GLY A 76 70.237 37.311 21.548 1.00 0.00 C ATOM 1226 C GLY A 76 70.507 36.790 20.135 1.00 0.00 C ATOM 1227 O GLY A 76 70.522 37.588 19.172 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.775 35.575 20.012 1.00 0.00 O ATOM 0 H GLY A 76 69.914 39.333 21.843 1.00 0.00 H new ATOM 0 HA2 GLY A 76 71.190 37.539 22.026 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.769 36.518 22.131 1.00 0.00 H new TER 1232 GLY A 76