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 -49:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 0.736 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 177:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 1.07 USER MOD Set 3.1: A 2 GLN : amide:sc= 0.939 K(o=3,f=1.1) USER MOD Set 3.2: A 14 THR OG1 : rot 33:sc= 2.08 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.014 (180deg=-0.0377) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.01 (180deg=1.7) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 0.826 (180deg=-0.164!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 25 ASN : amide:sc= 1.06 K(o=1.1,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 2.3 (180deg=2.24) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.981 (180deg=0.976) USER MOD Single : A 31 GLN : amide:sc= -0.367 K(o=-0.37,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.91 K(o=0.91,f=-0.038) USER MOD Single : A 41 GLN : amide:sc= 1.34 K(o=1.3,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.33) USER MOD Single : A 59 TYR OH : rot 26:sc= 1.18 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+ 166:sc= 1.25 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 65:sc= 1.38 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.111 52.175 19.670 1.00 0.00 N ATOM 2 CA MET A 1 33.079 51.903 21.116 1.00 0.00 C ATOM 3 C MET A 1 34.487 52.100 21.678 1.00 0.00 C ATOM 4 O MET A 1 35.448 51.572 21.122 1.00 0.00 O ATOM 5 CB MET A 1 32.474 50.537 21.424 1.00 0.00 C ATOM 6 CG MET A 1 32.502 50.123 22.893 1.00 0.00 C ATOM 7 SD MET A 1 34.070 49.485 23.532 1.00 0.00 S ATOM 8 CE MET A 1 34.127 47.857 22.743 1.00 0.00 C ATOM 0 H1 MET A 1 32.139 52.279 19.315 1.00 0.00 H new ATOM 0 H2 MET A 1 33.640 53.053 19.493 1.00 0.00 H new ATOM 0 H3 MET A 1 33.576 51.385 19.178 1.00 0.00 H new ATOM 0 HA MET A 1 32.416 52.609 21.617 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.439 50.532 21.083 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.005 49.784 20.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.216 50.986 23.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.738 49.361 23.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.012 47.319 23.082 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.234 47.292 23.010 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.169 47.979 21.661 1.00 0.00 H new ATOM 20 N GLN A 2 34.623 52.907 22.727 1.00 0.00 N ATOM 21 CA GLN A 2 35.910 53.443 23.126 1.00 0.00 C ATOM 22 C GLN A 2 36.648 52.547 24.121 1.00 0.00 C ATOM 23 O GLN A 2 36.092 52.179 25.154 1.00 0.00 O ATOM 24 CB GLN A 2 35.712 54.859 23.656 1.00 0.00 C ATOM 25 CG GLN A 2 37.044 55.545 23.947 1.00 0.00 C ATOM 26 CD GLN A 2 36.911 57.061 24.107 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.843 57.626 24.328 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.017 57.791 23.995 1.00 0.00 N ATOM 0 H GLN A 2 33.846 53.203 23.318 1.00 0.00 H new ATOM 0 HA GLN A 2 36.558 53.476 22.250 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.152 55.445 22.927 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.113 54.826 24.566 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.472 55.125 24.857 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.742 55.330 23.138 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.912 57.337 23.812 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.971 58.805 24.093 1.00 0.00 H new ATOM 37 N ILE A 3 37.929 52.297 23.866 1.00 0.00 N ATOM 38 CA ILE A 3 38.859 51.658 24.776 1.00 0.00 C ATOM 39 C ILE A 3 40.078 52.545 25.042 1.00 0.00 C ATOM 40 O ILE A 3 40.389 53.454 24.276 1.00 0.00 O ATOM 41 CB ILE A 3 39.272 50.274 24.284 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.979 50.311 22.932 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.070 49.333 24.277 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.730 49.026 22.596 1.00 0.00 C ATOM 0 H ILE A 3 38.361 52.548 22.977 1.00 0.00 H new ATOM 0 HA ILE A 3 38.339 51.520 25.724 1.00 0.00 H new ATOM 0 HB ILE A 3 40.008 49.884 24.987 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.243 50.505 22.152 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.681 51.145 22.922 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.380 48.350 23.924 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.670 49.246 25.287 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.301 49.730 23.615 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.207 49.127 21.621 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.491 48.840 23.354 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.030 48.191 22.572 1.00 0.00 H new ATOM 56 N PHE A 4 40.816 52.232 26.103 1.00 0.00 N ATOM 57 CA PHE A 4 42.126 52.780 26.392 1.00 0.00 C ATOM 58 C PHE A 4 43.186 51.679 26.346 1.00 0.00 C ATOM 59 O PHE A 4 42.920 50.537 26.716 1.00 0.00 O ATOM 60 CB PHE A 4 42.131 53.455 27.761 1.00 0.00 C ATOM 61 CG PHE A 4 41.111 54.554 27.934 1.00 0.00 C ATOM 62 CD1 PHE A 4 39.971 54.338 28.717 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.326 55.804 27.340 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.058 55.380 28.922 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.398 56.836 27.519 1.00 0.00 C ATOM 66 CZ PHE A 4 39.264 56.623 28.313 1.00 0.00 C ATOM 0 H PHE A 4 40.501 51.565 26.807 1.00 0.00 H new ATOM 0 HA PHE A 4 42.362 53.526 25.633 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.958 52.696 28.524 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.123 53.869 27.942 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.796 53.370 29.162 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.210 55.972 26.743 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.194 55.224 29.551 1.00 0.00 H new ATOM 0 HE2 PHE A 4 40.556 57.794 27.046 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.548 57.419 28.455 1.00 0.00 H new ATOM 76 N VAL A 5 44.405 52.030 25.947 1.00 0.00 N ATOM 77 CA VAL A 5 45.574 51.180 26.049 1.00 0.00 C ATOM 78 C VAL A 5 46.664 51.908 26.837 1.00 0.00 C ATOM 79 O VAL A 5 46.971 53.067 26.563 1.00 0.00 O ATOM 80 CB VAL A 5 46.053 50.681 24.689 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.202 49.687 24.828 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.944 49.995 23.897 1.00 0.00 C ATOM 0 H VAL A 5 44.606 52.940 25.533 1.00 0.00 H new ATOM 0 HA VAL A 5 45.304 50.277 26.597 1.00 0.00 H new ATOM 0 HB VAL A 5 46.384 51.572 24.156 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.516 49.354 23.839 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.040 50.168 25.332 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.871 48.828 25.412 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.337 49.659 22.937 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.573 49.137 24.458 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.129 50.698 23.729 1.00 0.00 H new ATOM 92 N LYS A 6 47.230 51.215 27.821 1.00 0.00 N ATOM 93 CA LYS A 6 48.376 51.611 28.615 1.00 0.00 C ATOM 94 C LYS A 6 49.603 50.786 28.222 1.00 0.00 C ATOM 95 O LYS A 6 49.459 49.628 27.837 1.00 0.00 O ATOM 96 CB LYS A 6 48.065 51.404 30.094 1.00 0.00 C ATOM 97 CG LYS A 6 47.226 52.501 30.744 1.00 0.00 C ATOM 98 CD LYS A 6 48.015 53.794 30.934 1.00 0.00 C ATOM 99 CE LYS A 6 47.241 54.744 31.843 1.00 0.00 C ATOM 100 NZ LYS A 6 47.980 56.001 32.039 1.00 0.00 N ATOM 0 H LYS A 6 46.872 50.301 28.099 1.00 0.00 H new ATOM 0 HA LYS A 6 48.590 52.664 28.432 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.543 50.454 30.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.006 51.319 30.638 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.350 52.699 30.127 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.863 52.153 31.711 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.990 53.575 31.368 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.195 54.266 29.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.264 54.956 31.408 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.064 54.268 32.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.412 56.651 32.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.880 55.803 32.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.172 56.439 31.115 1.00 0.00 H new ATOM 114 N THR A 7 50.802 51.337 28.380 1.00 0.00 N ATOM 115 CA THR A 7 52.054 50.617 28.248 1.00 0.00 C ATOM 116 C THR A 7 52.809 50.544 29.576 1.00 0.00 C ATOM 117 O THR A 7 52.549 51.334 30.482 1.00 0.00 O ATOM 118 CB THR A 7 52.953 51.216 27.170 1.00 0.00 C ATOM 119 OG1 THR A 7 53.547 52.417 27.609 1.00 0.00 O ATOM 120 CG2 THR A 7 52.220 51.487 25.860 1.00 0.00 C ATOM 0 H THR A 7 50.928 52.323 28.609 1.00 0.00 H new ATOM 0 HA THR A 7 51.790 49.604 27.943 1.00 0.00 H new ATOM 0 HB THR A 7 53.719 50.464 26.982 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.119 52.778 26.899 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.915 51.912 25.136 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.815 50.553 25.470 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.406 52.189 26.037 1.00 0.00 H new ATOM 128 N LEU A 8 53.768 49.631 29.704 1.00 0.00 N ATOM 129 CA LEU A 8 54.598 49.510 30.886 1.00 0.00 C ATOM 130 C LEU A 8 55.609 50.646 31.056 1.00 0.00 C ATOM 131 O LEU A 8 56.154 50.803 32.147 1.00 0.00 O ATOM 132 CB LEU A 8 55.276 48.143 30.913 1.00 0.00 C ATOM 133 CG LEU A 8 54.340 46.939 30.895 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.178 45.671 31.029 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.310 46.943 32.021 1.00 0.00 C ATOM 0 H LEU A 8 53.989 48.949 28.978 1.00 0.00 H new ATOM 0 HA LEU A 8 53.932 49.597 31.745 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.945 48.073 30.055 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.897 48.084 31.807 1.00 0.00 H new ATOM 0 HG LEU A 8 53.792 46.983 29.954 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.523 44.799 31.018 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.879 45.609 30.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.731 45.698 31.968 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.681 46.056 31.942 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.823 46.940 32.983 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.690 47.836 31.943 1.00 0.00 H new ATOM 147 N THR A 9 55.837 51.462 30.031 1.00 0.00 N ATOM 148 CA THR A 9 56.547 52.721 30.131 1.00 0.00 C ATOM 149 C THR A 9 55.636 53.865 30.581 1.00 0.00 C ATOM 150 O THR A 9 56.129 54.889 31.051 1.00 0.00 O ATOM 151 CB THR A 9 57.251 53.048 28.818 1.00 0.00 C ATOM 152 OG1 THR A 9 57.980 51.927 28.372 1.00 0.00 O ATOM 153 CG2 THR A 9 58.284 54.166 28.927 1.00 0.00 C ATOM 0 H THR A 9 55.522 51.254 29.084 1.00 0.00 H new ATOM 0 HA THR A 9 57.306 52.608 30.905 1.00 0.00 H new ATOM 0 HB THR A 9 56.450 53.351 28.144 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.428 52.143 27.528 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.739 54.337 27.951 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.796 55.080 29.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 59.056 53.880 29.642 1.00 0.00 H new ATOM 161 N GLY A 10 54.319 53.695 30.511 1.00 0.00 N ATOM 162 CA GLY A 10 53.321 54.628 30.993 1.00 0.00 C ATOM 163 C GLY A 10 52.652 55.492 29.921 1.00 0.00 C ATOM 164 O GLY A 10 51.959 56.446 30.265 1.00 0.00 O ATOM 0 H GLY A 10 53.905 52.861 30.095 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.547 54.067 31.517 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.788 55.286 31.725 1.00 0.00 H new ATOM 168 N LYS A 11 52.834 55.180 28.641 1.00 0.00 N ATOM 169 CA LYS A 11 52.153 55.840 27.546 1.00 0.00 C ATOM 170 C LYS A 11 50.667 55.476 27.554 1.00 0.00 C ATOM 171 O LYS A 11 50.311 54.357 27.914 1.00 0.00 O ATOM 172 CB LYS A 11 52.846 55.492 26.232 1.00 0.00 C ATOM 173 CG LYS A 11 52.455 56.394 25.065 1.00 0.00 C ATOM 174 CD LYS A 11 53.229 56.052 23.796 1.00 0.00 C ATOM 175 CE LYS A 11 52.951 57.076 22.700 1.00 0.00 C ATOM 176 NZ LYS A 11 53.763 56.817 21.501 1.00 0.00 N ATOM 0 H LYS A 11 53.473 54.446 28.336 1.00 0.00 H new ATOM 0 HA LYS A 11 52.208 56.922 27.664 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.925 55.549 26.376 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.613 54.459 25.973 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.386 56.298 24.875 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.639 57.434 25.333 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.297 56.025 24.012 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.948 55.057 23.450 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.894 57.051 22.437 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.162 58.078 23.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.242 57.125 20.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.657 57.344 21.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.965 55.799 21.432 1.00 0.00 H new ATOM 190 N THR A 12 49.806 56.409 27.156 1.00 0.00 N ATOM 191 CA THR A 12 48.364 56.260 27.135 1.00 0.00 C ATOM 192 C THR A 12 47.806 56.616 25.756 1.00 0.00 C ATOM 193 O THR A 12 48.153 57.654 25.197 1.00 0.00 O ATOM 194 CB THR A 12 47.693 57.135 28.191 1.00 0.00 C ATOM 195 OG1 THR A 12 48.328 56.999 29.443 1.00 0.00 O ATOM 196 CG2 THR A 12 46.233 56.755 28.417 1.00 0.00 C ATOM 0 H THR A 12 50.112 57.325 26.827 1.00 0.00 H new ATOM 0 HA THR A 12 48.145 55.216 27.359 1.00 0.00 H new ATOM 0 HB THR A 12 47.768 58.153 27.809 1.00 0.00 H new ATOM 0 HG1 THR A 12 48.386 57.876 29.877 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.801 57.406 29.177 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.679 56.868 27.485 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.174 55.719 28.751 1.00 0.00 H new ATOM 204 N ILE A 13 46.914 55.794 25.210 1.00 0.00 N ATOM 205 CA ILE A 13 46.284 56.003 23.923 1.00 0.00 C ATOM 206 C ILE A 13 44.834 55.514 23.937 1.00 0.00 C ATOM 207 O ILE A 13 44.506 54.604 24.695 1.00 0.00 O ATOM 208 CB ILE A 13 47.145 55.369 22.835 1.00 0.00 C ATOM 209 CG1 ILE A 13 46.745 55.830 21.436 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.199 53.847 22.921 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.754 55.476 20.346 1.00 0.00 C ATOM 0 H ILE A 13 46.604 54.939 25.671 1.00 0.00 H new ATOM 0 HA ILE A 13 46.221 57.068 23.699 1.00 0.00 H new ATOM 0 HB ILE A 13 48.157 55.727 23.023 1.00 0.00 H new ATOM 0 HG12 ILE A 13 45.782 55.387 21.181 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.605 56.911 21.448 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.827 53.459 22.119 1.00 0.00 H new ATOM 0 HG22 ILE A 13 47.616 53.552 23.884 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.192 53.441 22.822 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.393 55.839 19.384 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.713 55.942 20.573 1.00 0.00 H new ATOM 0 HD13 ILE A 13 47.877 54.394 20.302 1.00 0.00 H new ATOM 223 N THR A 14 43.953 56.091 23.124 1.00 0.00 N ATOM 224 CA THR A 14 42.563 55.696 23.016 1.00 0.00 C ATOM 225 C THR A 14 42.140 55.370 21.582 1.00 0.00 C ATOM 226 O THR A 14 42.581 56.020 20.637 1.00 0.00 O ATOM 227 CB THR A 14 41.632 56.710 23.676 1.00 0.00 C ATOM 228 OG1 THR A 14 40.350 56.147 23.836 1.00 0.00 O ATOM 229 CG2 THR A 14 41.421 58.015 22.915 1.00 0.00 C ATOM 0 H THR A 14 44.199 56.866 22.508 1.00 0.00 H new ATOM 0 HA THR A 14 42.469 54.763 23.571 1.00 0.00 H new ATOM 0 HB THR A 14 42.134 56.949 24.613 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.434 55.185 24.004 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.743 58.658 23.476 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.378 58.521 22.787 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.991 57.800 21.937 1.00 0.00 H new ATOM 237 N LEU A 15 41.308 54.344 21.426 1.00 0.00 N ATOM 238 CA LEU A 15 40.855 53.820 20.153 1.00 0.00 C ATOM 239 C LEU A 15 39.345 53.573 20.151 1.00 0.00 C ATOM 240 O LEU A 15 38.785 53.183 21.173 1.00 0.00 O ATOM 241 CB LEU A 15 41.599 52.529 19.825 1.00 0.00 C ATOM 242 CG LEU A 15 43.118 52.621 19.711 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.710 51.222 19.559 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.583 53.465 18.528 1.00 0.00 C ATOM 0 H LEU A 15 40.918 53.838 22.221 1.00 0.00 H new ATOM 0 HA LEU A 15 41.071 54.566 19.388 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.360 51.794 20.594 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.210 52.143 18.883 1.00 0.00 H new ATOM 0 HG LEU A 15 43.464 53.105 20.625 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.795 51.293 19.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.450 50.620 20.430 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.309 50.753 18.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.672 53.490 18.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.210 53.029 17.601 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.199 54.480 18.632 1.00 0.00 H new ATOM 256 N GLU A 16 38.705 53.745 18.997 1.00 0.00 N ATOM 257 CA GLU A 16 37.347 53.305 18.753 1.00 0.00 C ATOM 258 C GLU A 16 37.376 51.938 18.064 1.00 0.00 C ATOM 259 O GLU A 16 37.965 51.767 16.999 1.00 0.00 O ATOM 260 CB GLU A 16 36.571 54.318 17.915 1.00 0.00 C ATOM 261 CG GLU A 16 36.287 55.649 18.605 1.00 0.00 C ATOM 262 CD GLU A 16 35.143 55.643 19.621 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.527 54.594 19.912 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.835 56.735 20.147 1.00 0.00 O ATOM 0 H GLU A 16 39.131 54.205 18.192 1.00 0.00 H new ATOM 0 HA GLU A 16 36.831 53.219 19.709 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.130 54.513 17.000 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.622 53.870 17.619 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.195 55.975 19.111 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.064 56.393 17.840 1.00 0.00 H new ATOM 271 N VAL A 17 36.740 50.947 18.684 1.00 0.00 N ATOM 272 CA VAL A 17 36.673 49.560 18.268 1.00 0.00 C ATOM 273 C VAL A 17 35.235 49.039 18.317 1.00 0.00 C ATOM 274 O VAL A 17 34.343 49.713 18.826 1.00 0.00 O ATOM 275 CB VAL A 17 37.612 48.701 19.109 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.079 49.067 18.908 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.292 48.773 20.600 1.00 0.00 C ATOM 0 H VAL A 17 36.224 51.110 19.549 1.00 0.00 H new ATOM 0 HA VAL A 17 37.004 49.497 17.231 1.00 0.00 H new ATOM 0 HB VAL A 17 37.448 47.682 18.757 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.703 48.425 19.530 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.348 48.930 17.861 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.236 50.108 19.189 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.990 48.144 21.153 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.384 49.804 20.942 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.274 48.423 20.771 1.00 0.00 H new ATOM 287 N GLU A 18 34.993 47.837 17.803 1.00 0.00 N ATOM 288 CA GLU A 18 33.709 47.168 17.865 1.00 0.00 C ATOM 289 C GLU A 18 33.762 45.923 18.754 1.00 0.00 C ATOM 290 O GLU A 18 34.771 45.222 18.735 1.00 0.00 O ATOM 291 CB GLU A 18 33.240 46.801 16.461 1.00 0.00 C ATOM 292 CG GLU A 18 32.893 48.000 15.583 1.00 0.00 C ATOM 293 CD GLU A 18 31.721 48.819 16.129 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.633 48.251 16.369 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.859 50.048 16.306 1.00 0.00 O ATOM 0 H GLU A 18 35.707 47.292 17.320 1.00 0.00 H new ATOM 0 HA GLU A 18 32.994 47.859 18.311 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.020 46.219 15.970 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.364 46.157 16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.768 48.643 15.493 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.649 47.651 14.580 1.00 0.00 H new ATOM 302 N PRO A 19 32.706 45.571 19.482 1.00 0.00 N ATOM 303 CA PRO A 19 32.643 44.357 20.271 1.00 0.00 C ATOM 304 C PRO A 19 32.897 43.061 19.498 1.00 0.00 C ATOM 305 O PRO A 19 33.392 42.091 20.069 1.00 0.00 O ATOM 306 CB PRO A 19 31.251 44.339 20.897 1.00 0.00 C ATOM 307 CG PRO A 19 30.875 45.815 20.976 1.00 0.00 C ATOM 308 CD PRO A 19 31.542 46.397 19.733 1.00 0.00 C ATOM 0 HA PRO A 19 33.449 44.381 21.005 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.544 43.777 20.287 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.261 43.874 21.883 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.795 45.959 20.961 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.246 46.279 21.890 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.862 46.382 18.882 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.828 47.436 19.894 1.00 0.00 H new ATOM 316 N SER A 20 32.584 43.028 18.206 1.00 0.00 N ATOM 317 CA SER A 20 32.829 41.905 17.324 1.00 0.00 C ATOM 318 C SER A 20 34.169 41.969 16.587 1.00 0.00 C ATOM 319 O SER A 20 34.383 41.181 15.669 1.00 0.00 O ATOM 320 CB SER A 20 31.688 41.735 16.326 1.00 0.00 C ATOM 321 OG SER A 20 30.444 41.695 16.988 1.00 0.00 O ATOM 0 H SER A 20 32.137 43.814 17.733 1.00 0.00 H new ATOM 0 HA SER A 20 32.881 41.033 17.976 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.698 42.558 15.612 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.831 40.817 15.756 1.00 0.00 H new ATOM 0 HG SER A 20 29.726 41.587 16.329 1.00 0.00 H new ATOM 327 N ASP A 21 35.058 42.903 16.910 1.00 0.00 N ATOM 328 CA ASP A 21 36.377 42.981 16.314 1.00 0.00 C ATOM 329 C ASP A 21 37.361 42.018 16.981 1.00 0.00 C ATOM 330 O ASP A 21 37.211 41.695 18.157 1.00 0.00 O ATOM 331 CB ASP A 21 36.894 44.417 16.337 1.00 0.00 C ATOM 332 CG ASP A 21 38.008 44.643 15.314 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.068 43.885 14.322 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.738 45.654 15.404 1.00 0.00 O ATOM 0 H ASP A 21 34.876 43.632 17.600 1.00 0.00 H new ATOM 0 HA ASP A 21 36.290 42.670 15.273 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.071 45.102 16.133 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.265 44.653 17.335 1.00 0.00 H new ATOM 339 N THR A 22 38.364 41.543 16.248 1.00 0.00 N ATOM 340 CA THR A 22 39.338 40.581 16.722 1.00 0.00 C ATOM 341 C THR A 22 40.542 41.239 17.400 1.00 0.00 C ATOM 342 O THR A 22 40.911 42.374 17.101 1.00 0.00 O ATOM 343 CB THR A 22 39.828 39.648 15.619 1.00 0.00 C ATOM 344 OG1 THR A 22 40.566 40.373 14.661 1.00 0.00 O ATOM 345 CG2 THR A 22 38.702 38.917 14.894 1.00 0.00 C ATOM 0 H THR A 22 38.521 41.829 15.281 1.00 0.00 H new ATOM 0 HA THR A 22 38.804 39.990 17.466 1.00 0.00 H new ATOM 0 HB THR A 22 40.447 38.901 16.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.877 39.764 13.959 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.124 38.272 14.123 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.142 38.312 15.607 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.034 39.644 14.432 1.00 0.00 H new ATOM 353 N ILE A 23 41.219 40.493 18.268 1.00 0.00 N ATOM 354 CA ILE A 23 42.471 40.922 18.857 1.00 0.00 C ATOM 355 C ILE A 23 43.561 41.099 17.798 1.00 0.00 C ATOM 356 O ILE A 23 44.347 42.039 17.891 1.00 0.00 O ATOM 357 CB ILE A 23 42.876 39.954 19.966 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.861 39.903 21.104 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.270 40.227 20.521 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.599 41.212 21.842 1.00 0.00 C ATOM 0 H ILE A 23 40.909 39.573 18.580 1.00 0.00 H new ATOM 0 HA ILE A 23 42.334 41.905 19.307 1.00 0.00 H new ATOM 0 HB ILE A 23 42.897 38.976 19.485 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.914 39.543 20.701 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.200 39.164 21.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.497 39.505 21.305 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.004 40.137 19.721 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.306 41.235 20.934 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.861 41.046 22.626 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.527 41.571 22.287 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.222 41.956 21.140 1.00 0.00 H new ATOM 372 N GLU A 24 43.575 40.281 16.749 1.00 0.00 N ATOM 373 CA GLU A 24 44.423 40.463 15.589 1.00 0.00 C ATOM 374 C GLU A 24 44.230 41.825 14.918 1.00 0.00 C ATOM 375 O GLU A 24 45.209 42.492 14.590 1.00 0.00 O ATOM 376 CB GLU A 24 44.114 39.327 14.618 1.00 0.00 C ATOM 377 CG GLU A 24 44.854 39.388 13.284 1.00 0.00 C ATOM 378 CD GLU A 24 44.219 38.415 12.289 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.562 38.897 11.342 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.296 37.183 12.489 1.00 0.00 O ATOM 0 H GLU A 24 42.980 39.455 16.687 1.00 0.00 H new ATOM 0 HA GLU A 24 45.467 40.440 15.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.353 38.381 15.104 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.042 39.322 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.820 40.402 12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.905 39.138 13.430 1.00 0.00 H new ATOM 387 N ASN A 25 42.983 42.251 14.736 1.00 0.00 N ATOM 388 CA ASN A 25 42.654 43.534 14.149 1.00 0.00 C ATOM 389 C ASN A 25 43.003 44.706 15.069 1.00 0.00 C ATOM 390 O ASN A 25 43.547 45.702 14.597 1.00 0.00 O ATOM 391 CB ASN A 25 41.173 43.563 13.783 1.00 0.00 C ATOM 392 CG ASN A 25 40.795 42.709 12.571 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.613 42.102 11.885 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.501 42.630 12.271 1.00 0.00 N ATOM 0 H ASN A 25 42.165 41.702 14.998 1.00 0.00 H new ATOM 0 HA ASN A 25 43.259 43.652 13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.594 43.225 14.643 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.881 44.595 13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.195 42.068 11.476 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.815 43.131 12.836 1.00 0.00 H new ATOM 401 N VAL A 26 42.766 44.601 16.374 1.00 0.00 N ATOM 402 CA VAL A 26 43.162 45.632 17.310 1.00 0.00 C ATOM 403 C VAL A 26 44.685 45.743 17.408 1.00 0.00 C ATOM 404 O VAL A 26 45.196 46.860 17.436 1.00 0.00 O ATOM 405 CB VAL A 26 42.482 45.476 18.667 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.956 46.538 19.655 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.972 45.642 18.516 1.00 0.00 C ATOM 0 H VAL A 26 42.297 43.803 16.803 1.00 0.00 H new ATOM 0 HA VAL A 26 42.807 46.584 16.916 1.00 0.00 H new ATOM 0 HB VAL A 26 42.737 44.484 19.040 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.451 46.397 20.611 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.033 46.448 19.797 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.723 47.528 19.264 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.494 45.529 19.489 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.753 46.632 18.117 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.589 44.883 17.834 1.00 0.00 H new ATOM 417 N LYS A 27 45.435 44.646 17.330 1.00 0.00 N ATOM 418 CA LYS A 27 46.875 44.681 17.180 1.00 0.00 C ATOM 419 C LYS A 27 47.306 45.408 15.904 1.00 0.00 C ATOM 420 O LYS A 27 48.259 46.182 15.953 1.00 0.00 O ATOM 421 CB LYS A 27 47.463 43.273 17.177 1.00 0.00 C ATOM 422 CG LYS A 27 47.542 42.593 18.543 1.00 0.00 C ATOM 423 CD LYS A 27 48.106 41.191 18.338 1.00 0.00 C ATOM 424 CE LYS A 27 48.544 40.544 19.649 1.00 0.00 C ATOM 425 NZ LYS A 27 49.359 39.350 19.373 1.00 0.00 N ATOM 0 H LYS A 27 45.050 43.702 17.370 1.00 0.00 H new ATOM 0 HA LYS A 27 47.258 45.234 18.038 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.864 42.649 16.513 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.466 43.317 16.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.179 43.165 19.218 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.555 42.543 19.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.352 40.565 17.861 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.956 41.240 17.658 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.117 41.257 20.242 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.669 40.269 20.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.596 38.877 20.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.823 38.696 18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.235 39.632 18.888 1.00 0.00 H new ATOM 439 N ALA A 28 46.615 45.205 14.787 1.00 0.00 N ATOM 440 CA ALA A 28 46.883 45.909 13.549 1.00 0.00 C ATOM 441 C ALA A 28 46.576 47.405 13.637 1.00 0.00 C ATOM 442 O ALA A 28 47.329 48.218 13.106 1.00 0.00 O ATOM 443 CB ALA A 28 46.120 45.243 12.407 1.00 0.00 C ATOM 0 H ALA A 28 45.846 44.539 14.721 1.00 0.00 H new ATOM 0 HA ALA A 28 47.953 45.842 13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.322 45.773 11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.441 44.206 12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.051 45.274 12.617 1.00 0.00 H new ATOM 449 N LYS A 29 45.535 47.805 14.361 1.00 0.00 N ATOM 450 CA LYS A 29 45.228 49.189 14.659 1.00 0.00 C ATOM 451 C LYS A 29 46.294 49.832 15.549 1.00 0.00 C ATOM 452 O LYS A 29 46.763 50.930 15.256 1.00 0.00 O ATOM 453 CB LYS A 29 43.820 49.253 15.243 1.00 0.00 C ATOM 454 CG LYS A 29 43.327 50.666 15.542 1.00 0.00 C ATOM 455 CD LYS A 29 41.872 50.679 16.002 1.00 0.00 C ATOM 456 CE LYS A 29 40.918 50.552 14.818 1.00 0.00 C ATOM 457 NZ LYS A 29 39.542 50.226 15.221 1.00 0.00 N ATOM 0 H LYS A 29 44.865 47.151 14.766 1.00 0.00 H new ATOM 0 HA LYS A 29 45.245 49.783 13.745 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.128 48.780 14.546 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.794 48.670 16.163 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.955 51.113 16.313 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.430 51.282 14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.701 49.859 16.700 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.666 51.604 16.541 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.915 51.488 14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.286 49.779 14.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.934 50.186 14.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.530 49.303 15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.188 50.958 15.869 1.00 0.00 H new ATOM 471 N ILE A 30 46.777 49.122 16.564 1.00 0.00 N ATOM 472 CA ILE A 30 47.910 49.516 17.376 1.00 0.00 C ATOM 473 C ILE A 30 49.183 49.641 16.537 1.00 0.00 C ATOM 474 O ILE A 30 49.974 50.550 16.781 1.00 0.00 O ATOM 475 CB ILE A 30 48.067 48.562 18.558 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.927 48.757 19.554 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.403 48.733 19.274 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.791 47.629 20.574 1.00 0.00 C ATOM 0 H ILE A 30 46.374 48.229 16.848 1.00 0.00 H new ATOM 0 HA ILE A 30 47.724 50.509 17.784 1.00 0.00 H new ATOM 0 HB ILE A 30 48.036 47.551 18.151 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.080 49.696 20.085 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.990 48.850 19.004 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.463 48.031 20.106 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.217 48.539 18.576 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.485 49.752 19.653 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.959 47.843 21.245 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.605 46.689 20.054 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.711 47.548 21.152 1.00 0.00 H new ATOM 490 N GLN A 31 49.381 48.813 15.515 1.00 0.00 N ATOM 491 CA GLN A 31 50.502 48.930 14.604 1.00 0.00 C ATOM 492 C GLN A 31 50.416 50.178 13.723 1.00 0.00 C ATOM 493 O GLN A 31 51.452 50.785 13.458 1.00 0.00 O ATOM 494 CB GLN A 31 50.628 47.656 13.772 1.00 0.00 C ATOM 495 CG GLN A 31 51.914 47.601 12.954 1.00 0.00 C ATOM 496 CD GLN A 31 52.070 46.282 12.196 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.113 45.569 11.901 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.291 45.893 11.844 1.00 0.00 N ATOM 0 H GLN A 31 48.757 48.035 15.299 1.00 0.00 H new ATOM 0 HA GLN A 31 51.407 49.050 15.200 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.588 46.791 14.434 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.773 47.582 13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.925 48.428 12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.768 47.739 13.617 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.098 46.471 12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.421 45.017 11.338 1.00 0.00 H new ATOM 507 N ASP A 32 49.228 50.621 13.322 1.00 0.00 N ATOM 508 CA ASP A 32 49.052 51.876 12.620 1.00 0.00 C ATOM 509 C ASP A 32 49.417 53.099 13.463 1.00 0.00 C ATOM 510 O ASP A 32 49.900 54.093 12.924 1.00 0.00 O ATOM 511 CB ASP A 32 47.630 51.981 12.076 1.00 0.00 C ATOM 512 CG ASP A 32 47.430 53.216 11.195 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.075 53.292 10.126 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.638 54.111 11.563 1.00 0.00 O ATOM 0 H ASP A 32 48.358 50.112 13.479 1.00 0.00 H new ATOM 0 HA ASP A 32 49.754 51.873 11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.398 51.086 11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.927 52.015 12.909 1.00 0.00 H new ATOM 519 N LYS A 33 49.257 53.012 14.780 1.00 0.00 N ATOM 520 CA LYS A 33 49.693 54.022 15.723 1.00 0.00 C ATOM 521 C LYS A 33 51.189 53.941 16.032 1.00 0.00 C ATOM 522 O LYS A 33 51.890 54.940 15.880 1.00 0.00 O ATOM 523 CB LYS A 33 48.852 53.972 16.993 1.00 0.00 C ATOM 524 CG LYS A 33 47.345 54.117 16.799 1.00 0.00 C ATOM 525 CD LYS A 33 46.949 55.359 16.005 1.00 0.00 C ATOM 526 CE LYS A 33 45.431 55.513 15.995 1.00 0.00 C ATOM 527 NZ LYS A 33 45.029 56.735 15.282 1.00 0.00 N ATOM 0 H LYS A 33 48.808 52.213 15.227 1.00 0.00 H new ATOM 0 HA LYS A 33 49.538 54.990 15.247 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.045 53.025 17.497 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.191 54.763 17.662 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.966 53.232 16.287 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.863 54.151 17.776 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.409 56.244 16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.321 55.281 14.983 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.977 54.644 15.519 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.059 55.546 17.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.992 56.816 15.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.445 57.564 15.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.365 56.690 14.299 1.00 0.00 H new ATOM 541 N GLU A 34 51.689 52.791 16.478 1.00 0.00 N ATOM 542 CA GLU A 34 52.962 52.653 17.156 1.00 0.00 C ATOM 543 C GLU A 34 54.012 51.835 16.400 1.00 0.00 C ATOM 544 O GLU A 34 55.166 51.790 16.822 1.00 0.00 O ATOM 545 CB GLU A 34 52.715 52.054 18.537 1.00 0.00 C ATOM 546 CG GLU A 34 51.925 52.937 19.499 1.00 0.00 C ATOM 547 CD GLU A 34 52.748 54.141 19.962 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.707 55.211 19.317 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.504 54.035 20.952 1.00 0.00 O ATOM 0 H GLU A 34 51.197 51.904 16.370 1.00 0.00 H new ATOM 0 HA GLU A 34 53.389 53.654 17.224 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.183 51.110 18.416 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.678 51.821 18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.014 53.284 19.011 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.619 52.350 20.365 1.00 0.00 H new ATOM 556 N GLY A 35 53.662 51.170 15.303 1.00 0.00 N ATOM 557 CA GLY A 35 54.591 50.397 14.504 1.00 0.00 C ATOM 558 C GLY A 35 55.105 49.100 15.133 1.00 0.00 C ATOM 559 O GLY A 35 56.132 48.587 14.695 1.00 0.00 O ATOM 0 H GLY A 35 52.708 51.157 14.943 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.108 50.151 13.558 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.449 51.028 14.269 1.00 0.00 H new ATOM 563 N ILE A 36 54.423 48.564 16.141 1.00 0.00 N ATOM 564 CA ILE A 36 54.792 47.340 16.823 1.00 0.00 C ATOM 565 C ILE A 36 54.233 46.144 16.050 1.00 0.00 C ATOM 566 O ILE A 36 53.022 46.112 15.843 1.00 0.00 O ATOM 567 CB ILE A 36 54.297 47.337 18.266 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.660 48.595 19.050 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.858 46.123 19.001 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.814 48.799 20.304 1.00 0.00 C ATOM 0 H ILE A 36 53.573 48.987 16.513 1.00 0.00 H new ATOM 0 HA ILE A 36 55.879 47.270 16.858 1.00 0.00 H new ATOM 0 HB ILE A 36 53.209 47.301 18.208 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.711 48.545 19.335 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.547 49.463 18.400 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.502 46.125 20.031 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.526 45.211 18.504 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.947 46.164 18.993 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.128 49.712 20.810 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.764 48.882 20.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.946 47.949 20.974 1.00 0.00 H new ATOM 582 N PRO A 37 55.024 45.153 15.649 1.00 0.00 N ATOM 583 CA PRO A 37 54.523 43.978 14.965 1.00 0.00 C ATOM 584 C PRO A 37 53.460 43.237 15.779 1.00 0.00 C ATOM 585 O PRO A 37 53.674 43.063 16.977 1.00 0.00 O ATOM 586 CB PRO A 37 55.726 43.072 14.720 1.00 0.00 C ATOM 587 CG PRO A 37 56.915 44.027 14.759 1.00 0.00 C ATOM 588 CD PRO A 37 56.468 45.095 15.753 1.00 0.00 C ATOM 0 HA PRO A 37 54.038 44.273 14.034 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.808 42.300 15.485 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.654 42.562 13.759 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.825 43.525 15.089 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.123 44.452 13.777 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.777 44.839 16.767 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.916 46.060 15.517 1.00 0.00 H new ATOM 596 N PRO A 38 52.360 42.752 15.208 1.00 0.00 N ATOM 597 CA PRO A 38 51.335 42.048 15.953 1.00 0.00 C ATOM 598 C PRO A 38 51.863 40.817 16.692 1.00 0.00 C ATOM 599 O PRO A 38 51.425 40.516 17.801 1.00 0.00 O ATOM 600 CB PRO A 38 50.271 41.664 14.929 1.00 0.00 C ATOM 601 CG PRO A 38 50.432 42.708 13.829 1.00 0.00 C ATOM 602 CD PRO A 38 51.942 42.929 13.833 1.00 0.00 C ATOM 0 HA PRO A 38 50.937 42.688 16.740 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.428 40.655 14.549 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.271 41.690 15.362 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.074 42.346 12.865 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.883 43.624 14.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.444 42.218 13.177 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.193 43.927 13.473 1.00 0.00 H new ATOM 610 N ASP A 39 52.867 40.160 16.119 1.00 0.00 N ATOM 611 CA ASP A 39 53.597 39.043 16.684 1.00 0.00 C ATOM 612 C ASP A 39 54.564 39.415 17.809 1.00 0.00 C ATOM 613 O ASP A 39 55.006 38.537 18.548 1.00 0.00 O ATOM 614 CB ASP A 39 54.300 38.307 15.546 1.00 0.00 C ATOM 615 CG ASP A 39 55.119 39.248 14.659 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.508 39.915 13.796 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.349 39.337 14.862 1.00 0.00 O ATOM 0 H ASP A 39 53.209 40.413 15.192 1.00 0.00 H new ATOM 0 HA ASP A 39 52.875 38.390 17.174 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.956 37.542 15.962 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.557 37.793 14.936 1.00 0.00 H new ATOM 622 N GLN A 40 54.886 40.692 17.992 1.00 0.00 N ATOM 623 CA GLN A 40 55.633 41.216 19.117 1.00 0.00 C ATOM 624 C GLN A 40 54.719 41.738 20.227 1.00 0.00 C ATOM 625 O GLN A 40 55.165 41.856 21.366 1.00 0.00 O ATOM 626 CB GLN A 40 56.619 42.268 18.617 1.00 0.00 C ATOM 627 CG GLN A 40 57.713 42.625 19.621 1.00 0.00 C ATOM 628 CD GLN A 40 58.752 43.591 19.047 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.745 44.789 19.323 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.702 43.119 18.246 1.00 0.00 N ATOM 0 H GLN A 40 54.618 41.418 17.327 1.00 0.00 H new ATOM 0 HA GLN A 40 56.199 40.405 19.576 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.086 41.906 17.701 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.069 43.173 18.359 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.257 43.072 20.505 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.213 41.713 19.947 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.722 42.127 18.007 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.411 43.748 17.870 1.00 0.00 H new ATOM 639 N GLN A 41 53.452 42.021 19.941 1.00 0.00 N ATOM 640 CA GLN A 41 52.480 42.522 20.892 1.00 0.00 C ATOM 641 C GLN A 41 51.861 41.421 21.753 1.00 0.00 C ATOM 642 O GLN A 41 51.473 40.370 21.248 1.00 0.00 O ATOM 643 CB GLN A 41 51.355 43.264 20.176 1.00 0.00 C ATOM 644 CG GLN A 41 51.759 44.542 19.445 1.00 0.00 C ATOM 645 CD GLN A 41 50.573 45.207 18.744 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.489 45.346 19.308 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.698 45.636 17.491 1.00 0.00 N ATOM 0 H GLN A 41 53.065 41.901 19.005 1.00 0.00 H new ATOM 0 HA GLN A 41 53.030 43.198 21.547 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.899 42.585 19.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.587 43.514 20.908 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.197 45.242 20.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.530 44.310 18.710 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.587 45.532 17.003 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.905 46.069 17.019 1.00 0.00 H new ATOM 656 N ARG A 42 51.652 41.696 23.039 1.00 0.00 N ATOM 657 CA ARG A 42 50.782 40.985 23.954 1.00 0.00 C ATOM 658 C ARG A 42 49.830 41.972 24.632 1.00 0.00 C ATOM 659 O ARG A 42 50.266 43.042 25.049 1.00 0.00 O ATOM 660 CB ARG A 42 51.614 40.267 25.013 1.00 0.00 C ATOM 661 CG ARG A 42 52.327 39.015 24.509 1.00 0.00 C ATOM 662 CD ARG A 42 53.303 38.523 25.574 1.00 0.00 C ATOM 663 NE ARG A 42 53.774 37.163 25.315 1.00 0.00 N ATOM 664 CZ ARG A 42 54.727 36.524 26.007 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.402 37.121 26.997 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.043 35.251 25.726 1.00 0.00 N ATOM 0 H ARG A 42 52.123 42.478 23.494 1.00 0.00 H new ATOM 0 HA ARG A 42 50.204 40.249 23.395 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.357 40.961 25.406 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.964 39.991 25.844 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.599 38.236 24.280 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.861 39.235 23.585 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.158 39.198 25.619 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.819 38.557 26.550 1.00 0.00 H new ATOM 0 HE ARG A 42 53.340 36.658 24.542 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.196 38.089 27.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.122 36.608 27.505 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.556 34.758 24.978 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.771 34.776 26.261 1.00 0.00 H new ATOM 680 N LEU A 43 48.553 41.626 24.767 1.00 0.00 N ATOM 681 CA LEU A 43 47.551 42.439 25.425 1.00 0.00 C ATOM 682 C LEU A 43 46.993 41.735 26.663 1.00 0.00 C ATOM 683 O LEU A 43 46.488 40.619 26.565 1.00 0.00 O ATOM 684 CB LEU A 43 46.447 42.800 24.435 1.00 0.00 C ATOM 685 CG LEU A 43 46.845 43.871 23.424 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.864 43.883 22.256 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.840 45.266 24.044 1.00 0.00 C ATOM 0 H LEU A 43 48.182 40.746 24.409 1.00 0.00 H new ATOM 0 HA LEU A 43 48.017 43.362 25.770 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.147 41.901 23.897 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.574 43.145 24.990 1.00 0.00 H new ATOM 0 HG LEU A 43 47.853 43.627 23.087 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.159 44.651 21.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.870 42.910 21.765 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.861 44.097 22.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.129 46.000 23.291 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.840 45.497 24.411 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.547 45.298 24.873 1.00 0.00 H new ATOM 699 N ILE A 44 47.068 42.394 27.816 1.00 0.00 N ATOM 700 CA ILE A 44 46.655 41.891 29.110 1.00 0.00 C ATOM 701 C ILE A 44 45.385 42.599 29.586 1.00 0.00 C ATOM 702 O ILE A 44 45.297 43.824 29.530 1.00 0.00 O ATOM 703 CB ILE A 44 47.790 42.003 30.125 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.160 41.545 29.635 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.451 41.272 31.422 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.252 40.100 29.151 1.00 0.00 C ATOM 0 H ILE A 44 47.439 43.343 27.869 1.00 0.00 H new ATOM 0 HA ILE A 44 46.417 40.832 29.011 1.00 0.00 H new ATOM 0 HB ILE A 44 47.875 43.076 30.297 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.470 42.200 28.821 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.877 41.682 30.444 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.280 41.371 32.123 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.552 41.705 31.860 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.279 40.217 31.211 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.271 39.889 28.828 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.982 39.426 29.964 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.568 39.952 28.315 1.00 0.00 H new ATOM 718 N PHE A 45 44.413 41.823 30.057 1.00 0.00 N ATOM 719 CA PHE A 45 43.158 42.282 30.620 1.00 0.00 C ATOM 720 C PHE A 45 42.584 41.263 31.605 1.00 0.00 C ATOM 721 O PHE A 45 42.632 40.061 31.358 1.00 0.00 O ATOM 722 CB PHE A 45 42.186 42.536 29.471 1.00 0.00 C ATOM 723 CG PHE A 45 40.810 43.007 29.876 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.646 44.263 30.471 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.691 42.191 29.662 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.372 44.704 30.849 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.419 42.626 30.050 1.00 0.00 C ATOM 728 CZ PHE A 45 38.256 43.885 30.641 1.00 0.00 C ATOM 0 H PHE A 45 44.489 40.806 30.054 1.00 0.00 H new ATOM 0 HA PHE A 45 43.323 43.202 31.180 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.624 43.280 28.805 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.081 41.616 28.896 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.506 44.895 30.639 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.811 41.224 29.196 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.250 45.677 31.302 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.561 41.989 29.893 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.273 44.223 30.935 1.00 0.00 H new ATOM 738 N ALA A 46 42.008 41.732 32.709 1.00 0.00 N ATOM 739 CA ALA A 46 41.480 40.917 33.784 1.00 0.00 C ATOM 740 C ALA A 46 42.464 39.886 34.340 1.00 0.00 C ATOM 741 O ALA A 46 42.093 38.767 34.690 1.00 0.00 O ATOM 742 CB ALA A 46 40.117 40.360 33.382 1.00 0.00 C ATOM 0 H ALA A 46 41.895 42.731 32.880 1.00 0.00 H new ATOM 0 HA ALA A 46 41.325 41.560 34.651 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.721 39.747 34.192 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.432 41.184 33.182 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.223 39.751 32.484 1.00 0.00 H new ATOM 748 N GLY A 47 43.742 40.245 34.422 1.00 0.00 N ATOM 749 CA GLY A 47 44.803 39.424 34.971 1.00 0.00 C ATOM 750 C GLY A 47 45.355 38.347 34.035 1.00 0.00 C ATOM 751 O GLY A 47 46.163 37.537 34.485 1.00 0.00 O ATOM 0 H GLY A 47 44.074 41.152 34.094 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.624 40.075 35.271 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.433 38.940 35.875 1.00 0.00 H new ATOM 755 N LYS A 48 44.939 38.317 32.772 1.00 0.00 N ATOM 756 CA LYS A 48 45.303 37.311 31.796 1.00 0.00 C ATOM 757 C LYS A 48 45.516 37.889 30.396 1.00 0.00 C ATOM 758 O LYS A 48 45.110 39.010 30.097 1.00 0.00 O ATOM 759 CB LYS A 48 44.270 36.186 31.811 1.00 0.00 C ATOM 760 CG LYS A 48 42.836 36.661 31.601 1.00 0.00 C ATOM 761 CD LYS A 48 41.853 35.503 31.452 1.00 0.00 C ATOM 762 CE LYS A 48 41.873 34.923 30.041 1.00 0.00 C ATOM 763 NZ LYS A 48 41.097 35.750 29.102 1.00 0.00 N ATOM 0 H LYS A 48 44.313 39.026 32.391 1.00 0.00 H new ATOM 0 HA LYS A 48 46.271 36.898 32.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.521 35.465 31.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.333 35.661 32.764 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.535 37.282 32.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.791 37.288 30.711 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.100 34.721 32.170 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.846 35.847 31.690 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.903 34.847 29.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.466 33.912 30.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.133 35.325 28.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.108 35.802 29.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.501 36.708 29.068 1.00 0.00 H new ATOM 777 N GLN A 49 46.178 37.122 29.534 1.00 0.00 N ATOM 778 CA GLN A 49 46.549 37.513 28.190 1.00 0.00 C ATOM 779 C GLN A 49 45.445 37.178 27.184 1.00 0.00 C ATOM 780 O GLN A 49 44.944 36.057 27.143 1.00 0.00 O ATOM 781 CB GLN A 49 47.864 36.816 27.853 1.00 0.00 C ATOM 782 CG GLN A 49 48.577 37.310 26.597 1.00 0.00 C ATOM 783 CD GLN A 49 49.911 36.573 26.459 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.914 36.962 27.052 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.957 35.447 25.752 1.00 0.00 N ATOM 0 H GLN A 49 46.479 36.176 29.768 1.00 0.00 H new ATOM 0 HA GLN A 49 46.681 38.593 28.133 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.541 36.930 28.700 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.669 35.749 27.741 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.957 37.134 25.718 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.745 38.385 26.658 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.126 35.121 25.258 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.823 34.910 25.704 1.00 0.00 H new ATOM 794 N LEU A 50 45.088 38.146 26.344 1.00 0.00 N ATOM 795 CA LEU A 50 44.128 38.004 25.269 1.00 0.00 C ATOM 796 C LEU A 50 44.732 37.224 24.098 1.00 0.00 C ATOM 797 O LEU A 50 45.947 37.240 23.912 1.00 0.00 O ATOM 798 CB LEU A 50 43.643 39.388 24.848 1.00 0.00 C ATOM 799 CG LEU A 50 43.055 40.238 25.971 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.609 41.597 25.438 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.847 39.563 26.615 1.00 0.00 C ATOM 0 H LEU A 50 45.479 39.086 26.402 1.00 0.00 H new ATOM 0 HA LEU A 50 43.270 37.429 25.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.478 39.929 24.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.889 39.270 24.070 1.00 0.00 H new ATOM 0 HG LEU A 50 43.840 40.360 26.717 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.193 42.189 26.253 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.465 42.119 25.011 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.850 41.455 24.668 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.456 40.198 27.410 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.074 39.406 25.863 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.147 38.602 27.033 1.00 0.00 H new ATOM 813 N GLU A 51 43.913 36.533 23.311 1.00 0.00 N ATOM 814 CA GLU A 51 44.348 35.707 22.202 1.00 0.00 C ATOM 815 C GLU A 51 43.814 36.207 20.859 1.00 0.00 C ATOM 816 O GLU A 51 42.653 36.594 20.739 1.00 0.00 O ATOM 817 CB GLU A 51 43.948 34.248 22.405 1.00 0.00 C ATOM 818 CG GLU A 51 44.323 33.602 23.736 1.00 0.00 C ATOM 819 CD GLU A 51 43.295 32.540 24.133 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.022 31.615 23.337 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.689 32.654 25.221 1.00 0.00 O ATOM 0 H GLU A 51 42.901 36.536 23.435 1.00 0.00 H new ATOM 0 HA GLU A 51 45.435 35.778 22.178 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.867 34.174 22.286 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.398 33.660 21.605 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.311 33.148 23.659 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.382 34.365 24.512 1.00 0.00 H new ATOM 828 N ASP A 52 44.665 36.149 19.839 1.00 0.00 N ATOM 829 CA ASP A 52 44.490 36.722 18.521 1.00 0.00 C ATOM 830 C ASP A 52 43.239 36.259 17.770 1.00 0.00 C ATOM 831 O ASP A 52 42.701 37.020 16.970 1.00 0.00 O ATOM 832 CB ASP A 52 45.728 36.418 17.681 1.00 0.00 C ATOM 833 CG ASP A 52 47.047 36.842 18.331 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.709 37.774 17.826 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.437 36.236 19.354 1.00 0.00 O ATOM 0 H ASP A 52 45.558 35.664 19.925 1.00 0.00 H new ATOM 0 HA ASP A 52 44.353 37.792 18.677 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.763 35.347 17.480 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.632 36.920 16.718 1.00 0.00 H new ATOM 840 N GLY A 53 42.776 35.035 18.009 1.00 0.00 N ATOM 841 CA GLY A 53 41.717 34.377 17.272 1.00 0.00 C ATOM 842 C GLY A 53 40.271 34.638 17.700 1.00 0.00 C ATOM 843 O GLY A 53 39.377 34.031 17.116 1.00 0.00 O ATOM 0 H GLY A 53 43.151 34.453 18.758 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.812 34.664 16.225 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.892 33.302 17.325 1.00 0.00 H new ATOM 847 N ARG A 54 40.012 35.473 18.703 1.00 0.00 N ATOM 848 CA ARG A 54 38.678 35.771 19.187 1.00 0.00 C ATOM 849 C ARG A 54 38.430 37.269 19.373 1.00 0.00 C ATOM 850 O ARG A 54 39.344 38.077 19.224 1.00 0.00 O ATOM 851 CB ARG A 54 38.361 34.958 20.440 1.00 0.00 C ATOM 852 CG ARG A 54 38.378 33.454 20.181 1.00 0.00 C ATOM 853 CD ARG A 54 37.773 32.624 21.309 1.00 0.00 C ATOM 854 NE ARG A 54 38.406 32.862 22.606 1.00 0.00 N ATOM 855 CZ ARG A 54 39.635 32.506 23.002 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.486 31.790 22.255 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.039 32.890 24.221 1.00 0.00 N ATOM 0 H ARG A 54 40.745 35.970 19.210 1.00 0.00 H new ATOM 0 HA ARG A 54 37.977 35.463 18.411 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.086 35.198 21.218 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.381 35.247 20.818 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.833 33.248 19.260 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.408 33.135 20.021 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.709 32.848 21.385 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.859 31.567 21.059 1.00 0.00 H new ATOM 0 HE ARG A 54 37.842 33.361 23.294 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.211 31.482 21.322 1.00 0.00 H new ATOM 0 HH12 ARG A 54 41.409 31.553 22.619 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.416 33.436 24.816 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.969 32.636 24.554 1.00 0.00 H new ATOM 871 N THR A 55 37.178 37.636 19.628 1.00 0.00 N ATOM 872 CA THR A 55 36.711 39.008 19.604 1.00 0.00 C ATOM 873 C THR A 55 36.655 39.667 20.984 1.00 0.00 C ATOM 874 O THR A 55 36.635 38.987 22.008 1.00 0.00 O ATOM 875 CB THR A 55 35.357 39.154 18.917 1.00 0.00 C ATOM 876 OG1 THR A 55 34.338 38.593 19.714 1.00 0.00 O ATOM 877 CG2 THR A 55 35.289 38.509 17.535 1.00 0.00 C ATOM 0 H THR A 55 36.445 36.966 19.863 1.00 0.00 H new ATOM 0 HA THR A 55 37.465 39.534 19.018 1.00 0.00 H new ATOM 0 HB THR A 55 35.216 40.227 18.788 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.606 37.697 20.005 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.295 38.656 17.113 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.032 38.968 16.882 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.492 37.442 17.621 1.00 0.00 H new ATOM 885 N LEU A 56 36.583 40.994 21.025 1.00 0.00 N ATOM 886 CA LEU A 56 36.498 41.756 22.255 1.00 0.00 C ATOM 887 C LEU A 56 35.323 41.338 23.142 1.00 0.00 C ATOM 888 O LEU A 56 35.467 41.296 24.362 1.00 0.00 O ATOM 889 CB LEU A 56 36.446 43.246 21.928 1.00 0.00 C ATOM 890 CG LEU A 56 37.816 43.895 21.751 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.595 43.398 20.537 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.641 45.404 21.609 1.00 0.00 C ATOM 0 H LEU A 56 36.582 41.575 20.187 1.00 0.00 H new ATOM 0 HA LEU A 56 37.394 41.542 22.838 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.869 43.386 21.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.911 43.763 22.725 1.00 0.00 H new ATOM 0 HG LEU A 56 38.391 43.622 22.636 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.556 43.910 20.486 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.761 42.324 20.626 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.026 43.604 19.630 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.617 45.873 21.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.020 45.618 20.739 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.161 45.800 22.504 1.00 0.00 H new ATOM 904 N SER A 57 34.192 40.958 22.555 1.00 0.00 N ATOM 905 CA SER A 57 33.045 40.417 23.255 1.00 0.00 C ATOM 906 C SER A 57 33.255 39.008 23.814 1.00 0.00 C ATOM 907 O SER A 57 32.749 38.710 24.894 1.00 0.00 O ATOM 908 CB SER A 57 31.791 40.483 22.388 1.00 0.00 C ATOM 909 OG SER A 57 31.962 39.872 21.129 1.00 0.00 O ATOM 0 H SER A 57 34.050 41.023 21.547 1.00 0.00 H new ATOM 0 HA SER A 57 32.909 41.057 24.127 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.967 39.999 22.912 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.509 41.526 22.245 1.00 0.00 H new ATOM 0 HG SER A 57 32.417 40.493 20.523 1.00 0.00 H new ATOM 915 N ASP A 58 34.084 38.173 23.194 1.00 0.00 N ATOM 916 CA ASP A 58 34.516 36.915 23.766 1.00 0.00 C ATOM 917 C ASP A 58 35.399 37.091 25.003 1.00 0.00 C ATOM 918 O ASP A 58 35.572 36.148 25.771 1.00 0.00 O ATOM 919 CB ASP A 58 35.253 36.061 22.737 1.00 0.00 C ATOM 920 CG ASP A 58 34.388 35.711 21.525 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.337 35.058 21.701 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.772 36.074 20.392 1.00 0.00 O ATOM 0 H ASP A 58 34.475 38.359 22.271 1.00 0.00 H new ATOM 0 HA ASP A 58 33.604 36.406 24.078 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.143 36.593 22.401 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.593 35.141 23.212 1.00 0.00 H new ATOM 927 N TYR A 59 35.929 38.290 25.226 1.00 0.00 N ATOM 928 CA TYR A 59 36.649 38.687 26.418 1.00 0.00 C ATOM 929 C TYR A 59 35.852 39.609 27.345 1.00 0.00 C ATOM 930 O TYR A 59 36.390 40.053 28.356 1.00 0.00 O ATOM 931 CB TYR A 59 37.993 39.287 26.018 1.00 0.00 C ATOM 932 CG TYR A 59 38.822 38.350 25.174 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.084 38.659 23.833 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.312 37.166 25.735 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.819 37.772 23.037 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.075 36.284 24.958 1.00 0.00 C ATOM 937 CZ TYR A 59 40.323 36.585 23.604 1.00 0.00 C ATOM 938 OH TYR A 59 41.073 35.729 22.851 1.00 0.00 O ATOM 0 H TYR A 59 35.861 39.044 24.542 1.00 0.00 H new ATOM 0 HA TYR A 59 36.819 37.791 27.014 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.824 40.212 25.467 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.551 39.549 26.917 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.718 39.584 23.412 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.102 36.931 26.768 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.998 37.996 21.996 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.471 35.379 25.394 1.00 0.00 H new ATOM 0 HH TYR A 59 41.510 36.226 22.128 1.00 0.00 H new ATOM 948 N ASN A 60 34.584 39.869 27.037 1.00 0.00 N ATOM 949 CA ASN A 60 33.683 40.710 27.797 1.00 0.00 C ATOM 950 C ASN A 60 34.211 42.127 28.032 1.00 0.00 C ATOM 951 O ASN A 60 34.036 42.699 29.105 1.00 0.00 O ATOM 952 CB ASN A 60 33.211 39.974 29.047 1.00 0.00 C ATOM 953 CG ASN A 60 32.577 38.621 28.717 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.558 38.544 28.036 1.00 0.00 O ATOM 955 ND2 ASN A 60 33.156 37.519 29.187 1.00 0.00 N ATOM 0 H ASN A 60 34.141 39.475 26.207 1.00 0.00 H new ATOM 0 HA ASN A 60 32.795 40.895 27.192 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.056 39.823 29.718 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.488 40.592 29.579 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.754 36.604 28.982 1.00 0.00 H new ATOM 0 HD22 ASN A 60 34.002 37.589 29.752 1.00 0.00 H new ATOM 962 N ILE A 61 34.892 42.707 27.048 1.00 0.00 N ATOM 963 CA ILE A 61 35.438 44.048 27.113 1.00 0.00 C ATOM 964 C ILE A 61 34.308 45.066 26.946 1.00 0.00 C ATOM 965 O ILE A 61 33.493 44.965 26.032 1.00 0.00 O ATOM 966 CB ILE A 61 36.582 44.196 26.114 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.782 43.378 26.583 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.991 45.652 25.913 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.841 43.132 25.512 1.00 0.00 C ATOM 0 H ILE A 61 35.081 42.240 26.161 1.00 0.00 H new ATOM 0 HA ILE A 61 35.880 44.245 28.090 1.00 0.00 H new ATOM 0 HB ILE A 61 36.229 43.824 25.152 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.248 43.890 27.425 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.427 42.416 26.952 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.808 45.704 25.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.140 46.220 25.538 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.317 46.073 26.864 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.656 42.543 25.934 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.396 42.590 24.678 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.229 44.087 25.158 1.00 0.00 H new ATOM 981 N GLN A 62 34.265 46.056 27.833 1.00 0.00 N ATOM 982 CA GLN A 62 33.236 47.069 27.955 1.00 0.00 C ATOM 983 C GLN A 62 33.741 48.440 27.500 1.00 0.00 C ATOM 984 O GLN A 62 34.950 48.641 27.402 1.00 0.00 O ATOM 985 CB GLN A 62 32.769 47.131 29.407 1.00 0.00 C ATOM 986 CG GLN A 62 32.238 45.807 29.949 1.00 0.00 C ATOM 987 CD GLN A 62 31.756 45.953 31.393 1.00 0.00 C ATOM 988 OE1 GLN A 62 32.524 45.811 32.341 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.486 46.288 31.604 1.00 0.00 N ATOM 0 H GLN A 62 35.000 46.174 28.530 1.00 0.00 H new ATOM 0 HA GLN A 62 32.402 46.799 27.308 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.600 47.459 30.031 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.988 47.886 29.494 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.417 45.458 29.323 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.021 45.051 29.899 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.851 46.405 30.814 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.147 46.428 32.556 1.00 0.00 H new ATOM 998 N LYS A 63 32.865 49.420 27.293 1.00 0.00 N ATOM 999 CA LYS A 63 33.294 50.764 26.965 1.00 0.00 C ATOM 1000 C LYS A 63 34.058 51.424 28.115 1.00 0.00 C ATOM 1001 O LYS A 63 33.753 51.195 29.283 1.00 0.00 O ATOM 1002 CB LYS A 63 32.149 51.601 26.399 1.00 0.00 C ATOM 1003 CG LYS A 63 31.156 52.213 27.383 1.00 0.00 C ATOM 1004 CD LYS A 63 31.501 53.590 27.939 1.00 0.00 C ATOM 1005 CE LYS A 63 31.721 54.616 26.832 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.805 55.991 27.349 1.00 0.00 N ATOM 0 H LYS A 63 31.853 49.302 27.348 1.00 0.00 H new ATOM 0 HA LYS A 63 34.022 50.695 26.157 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.585 52.412 25.816 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.589 50.975 25.705 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.186 52.279 26.890 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.042 51.527 28.222 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.697 53.929 28.592 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.400 53.519 28.551 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.639 54.376 26.295 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.905 54.551 26.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 32.186 56.617 26.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.857 56.317 27.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.432 56.012 28.178 1.00 0.00 H new ATOM 1020 N GLU A 64 35.069 52.218 27.774 1.00 0.00 N ATOM 1021 CA GLU A 64 36.069 52.753 28.676 1.00 0.00 C ATOM 1022 C GLU A 64 36.828 51.690 29.474 1.00 0.00 C ATOM 1023 O GLU A 64 37.349 51.974 30.550 1.00 0.00 O ATOM 1024 CB GLU A 64 35.517 53.909 29.505 1.00 0.00 C ATOM 1025 CG GLU A 64 35.232 55.152 28.668 1.00 0.00 C ATOM 1026 CD GLU A 64 34.689 56.296 29.526 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.452 56.911 30.302 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.475 56.577 29.440 1.00 0.00 O ATOM 0 H GLU A 64 35.215 52.518 26.810 1.00 0.00 H new ATOM 0 HA GLU A 64 36.852 53.184 28.053 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.599 53.590 29.999 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.230 54.161 30.290 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.146 55.473 28.169 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.512 54.908 27.887 1.00 0.00 H new ATOM 1035 N SER A 65 36.959 50.473 28.954 1.00 0.00 N ATOM 1036 CA SER A 65 37.925 49.518 29.458 1.00 0.00 C ATOM 1037 C SER A 65 39.357 49.952 29.145 1.00 0.00 C ATOM 1038 O SER A 65 39.619 50.516 28.085 1.00 0.00 O ATOM 1039 CB SER A 65 37.748 48.122 28.867 1.00 0.00 C ATOM 1040 OG SER A 65 36.493 47.582 29.217 1.00 0.00 O ATOM 0 H SER A 65 36.398 50.128 28.175 1.00 0.00 H new ATOM 0 HA SER A 65 37.749 49.486 30.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.838 48.168 27.782 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.543 47.468 29.226 1.00 0.00 H new ATOM 0 HG SER A 65 35.781 48.113 28.803 1.00 0.00 H new ATOM 1046 N THR A 66 40.288 49.602 30.028 1.00 0.00 N ATOM 1047 CA THR A 66 41.710 49.757 29.800 1.00 0.00 C ATOM 1048 C THR A 66 42.370 48.396 29.569 1.00 0.00 C ATOM 1049 O THR A 66 42.159 47.469 30.348 1.00 0.00 O ATOM 1050 CB THR A 66 42.392 50.504 30.943 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.756 51.748 31.132 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.859 50.809 30.653 1.00 0.00 C ATOM 0 H THR A 66 40.065 49.196 30.937 1.00 0.00 H new ATOM 0 HA THR A 66 41.833 50.361 28.901 1.00 0.00 H new ATOM 0 HB THR A 66 42.323 49.859 31.819 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.191 52.229 31.867 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.294 51.341 31.499 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.400 49.876 30.494 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.932 51.428 29.759 1.00 0.00 H new ATOM 1060 N LEU A 67 43.195 48.292 28.530 1.00 0.00 N ATOM 1061 CA LEU A 67 44.010 47.136 28.215 1.00 0.00 C ATOM 1062 C LEU A 67 45.486 47.489 28.410 1.00 0.00 C ATOM 1063 O LEU A 67 45.876 48.632 28.180 1.00 0.00 O ATOM 1064 CB LEU A 67 43.738 46.668 26.789 1.00 0.00 C ATOM 1065 CG LEU A 67 42.279 46.565 26.353 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.196 46.090 24.905 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.456 45.595 27.197 1.00 0.00 C ATOM 0 H LEU A 67 43.314 49.050 27.858 1.00 0.00 H new ATOM 0 HA LEU A 67 43.755 46.316 28.886 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.247 47.350 26.107 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.198 45.688 26.662 1.00 0.00 H new ATOM 0 HG LEU A 67 41.866 47.566 26.479 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.151 46.020 24.604 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.713 46.800 24.259 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.665 45.110 24.816 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.430 45.573 26.830 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.887 44.596 27.128 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.462 45.922 28.237 1.00 0.00 H new ATOM 1079 N HIS A 68 46.321 46.528 28.795 1.00 0.00 N ATOM 1080 CA HIS A 68 47.731 46.755 29.034 1.00 0.00 C ATOM 1081 C HIS A 68 48.582 46.069 27.963 1.00 0.00 C ATOM 1082 O HIS A 68 48.512 44.855 27.791 1.00 0.00 O ATOM 1083 CB HIS A 68 48.084 46.346 30.461 1.00 0.00 C ATOM 1084 CG HIS A 68 47.324 47.147 31.482 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.676 48.417 31.934 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.117 46.801 32.032 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.682 48.817 32.730 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.734 47.871 32.817 1.00 0.00 N ATOM 0 H HIS A 68 46.029 45.563 28.949 1.00 0.00 H new ATOM 0 HA HIS A 68 47.958 47.818 28.948 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.868 45.286 30.598 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.154 46.477 30.621 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.575 45.879 31.882 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.646 49.771 33.235 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.878 47.932 33.368 1.00 0.00 H new ATOM 1096 N LEU A 69 49.356 46.854 27.219 1.00 0.00 N ATOM 1097 CA LEU A 69 50.161 46.423 26.094 1.00 0.00 C ATOM 1098 C LEU A 69 51.596 46.142 26.543 1.00 0.00 C ATOM 1099 O LEU A 69 52.277 47.018 27.074 1.00 0.00 O ATOM 1100 CB LEU A 69 50.070 47.492 25.010 1.00 0.00 C ATOM 1101 CG LEU A 69 50.942 47.273 23.777 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.580 46.004 23.012 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.774 48.460 22.833 1.00 0.00 C ATOM 0 H LEU A 69 49.439 47.855 27.398 1.00 0.00 H new ATOM 0 HA LEU A 69 49.789 45.485 25.681 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.032 47.566 24.687 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.335 48.452 25.452 1.00 0.00 H new ATOM 0 HG LEU A 69 51.970 47.173 24.126 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.234 45.902 22.146 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.703 45.139 23.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.544 46.063 22.679 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.394 48.312 21.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.729 48.542 22.534 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.079 49.375 23.341 1.00 0.00 H new ATOM 1115 N VAL A 70 52.065 44.923 26.289 1.00 0.00 N ATOM 1116 CA VAL A 70 53.377 44.425 26.649 1.00 0.00 C ATOM 1117 C VAL A 70 54.065 43.901 25.388 1.00 0.00 C ATOM 1118 O VAL A 70 53.419 43.323 24.516 1.00 0.00 O ATOM 1119 CB VAL A 70 53.270 43.343 27.721 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.641 42.941 28.259 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.422 43.783 28.910 1.00 0.00 C ATOM 0 H VAL A 70 51.505 44.224 25.800 1.00 0.00 H new ATOM 0 HA VAL A 70 53.976 45.231 27.072 1.00 0.00 H new ATOM 0 HB VAL A 70 52.795 42.497 27.225 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.521 42.169 29.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.253 42.555 27.444 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.129 43.811 28.699 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.378 42.978 29.643 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.867 44.666 29.368 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.414 44.020 28.570 1.00 0.00 H new ATOM 1131 N LEU A 71 55.372 44.114 25.264 1.00 0.00 N ATOM 1132 CA LEU A 71 56.168 43.632 24.153 1.00 0.00 C ATOM 1133 C LEU A 71 56.865 42.319 24.513 1.00 0.00 C ATOM 1134 O LEU A 71 57.365 42.146 25.623 1.00 0.00 O ATOM 1135 CB LEU A 71 57.167 44.696 23.708 1.00 0.00 C ATOM 1136 CG LEU A 71 56.612 45.810 22.824 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.596 46.712 23.518 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.761 46.689 22.340 1.00 0.00 C ATOM 0 H LEU A 71 55.913 44.639 25.951 1.00 0.00 H new ATOM 0 HA LEU A 71 55.504 43.429 23.313 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.604 45.149 24.597 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.977 44.203 23.171 1.00 0.00 H new ATOM 0 HG LEU A 71 56.096 45.309 22.004 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.252 47.476 22.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.747 46.115 23.850 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.063 47.190 24.379 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.368 47.486 21.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.272 47.125 23.198 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.465 46.085 21.767 1.00 0.00 H new ATOM 1150 N ARG A 72 56.974 41.416 23.543 1.00 0.00 N ATOM 1151 CA ARG A 72 57.840 40.256 23.602 1.00 0.00 C ATOM 1152 C ARG A 72 59.298 40.666 23.379 1.00 0.00 C ATOM 1153 O ARG A 72 59.877 40.398 22.329 1.00 0.00 O ATOM 1154 CB ARG A 72 57.383 39.170 22.631 1.00 0.00 C ATOM 1155 CG ARG A 72 56.000 38.613 22.953 1.00 0.00 C ATOM 1156 CD ARG A 72 55.741 37.234 22.350 1.00 0.00 C ATOM 1157 NE ARG A 72 55.945 37.190 20.902 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.759 36.377 20.216 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.578 35.472 20.770 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.798 36.431 18.877 1.00 0.00 N ATOM 0 H ARG A 72 56.445 41.478 22.673 1.00 0.00 H new ATOM 0 HA ARG A 72 57.773 39.823 24.600 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.376 39.576 21.620 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.107 38.355 22.642 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.884 38.555 24.035 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.244 39.308 22.588 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.400 36.507 22.825 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.718 36.932 22.576 1.00 0.00 H new ATOM 0 HE ARG A 72 55.404 37.856 20.350 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.610 35.367 21.784 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.169 34.889 20.178 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.206 37.093 18.376 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.420 35.810 18.359 1.00 0.00 H new ATOM 1174 N LEU A 73 59.873 41.391 24.334 1.00 0.00 N ATOM 1175 CA LEU A 73 61.203 41.963 24.271 1.00 0.00 C ATOM 1176 C LEU A 73 62.291 40.888 24.211 1.00 0.00 C ATOM 1177 O LEU A 73 62.179 39.869 24.889 1.00 0.00 O ATOM 1178 CB LEU A 73 61.441 42.884 25.464 1.00 0.00 C ATOM 1179 CG LEU A 73 60.546 44.119 25.536 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.868 44.918 26.796 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.738 45.049 24.342 1.00 0.00 C ATOM 0 H LEU A 73 59.397 41.602 25.211 1.00 0.00 H new ATOM 0 HA LEU A 73 61.263 42.542 23.349 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.306 42.306 26.378 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.480 43.212 25.445 1.00 0.00 H new ATOM 0 HG LEU A 73 59.518 43.758 25.541 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.227 45.798 26.843 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.696 44.297 27.675 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.912 45.231 26.772 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.078 45.911 24.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.774 45.387 24.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.499 44.515 23.422 1.00 0.00 H new ATOM 1193 N ARG A 74 63.347 41.115 23.435 1.00 0.00 N ATOM 1194 CA ARG A 74 64.454 40.203 23.228 1.00 0.00 C ATOM 1195 C ARG A 74 64.001 38.794 22.842 1.00 0.00 C ATOM 1196 O ARG A 74 64.361 37.811 23.485 1.00 0.00 O ATOM 1197 CB ARG A 74 65.422 40.227 24.407 1.00 0.00 C ATOM 1198 CG ARG A 74 65.998 41.609 24.695 1.00 0.00 C ATOM 1199 CD ARG A 74 67.054 41.528 25.794 1.00 0.00 C ATOM 1200 NE ARG A 74 67.590 42.852 26.109 1.00 0.00 N ATOM 1201 CZ ARG A 74 67.366 43.597 27.201 1.00 0.00 C ATOM 1202 NH1 ARG A 74 66.561 43.232 28.207 1.00 0.00 N ATOM 1203 NH2 ARG A 74 67.976 44.788 27.267 1.00 0.00 N ATOM 0 H ARG A 74 63.454 41.983 22.911 1.00 0.00 H new ATOM 0 HA ARG A 74 65.010 40.563 22.362 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.907 39.864 25.297 1.00 0.00 H new ATOM 0 HB3 ARG A 74 66.241 39.535 24.208 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.439 42.022 23.788 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.200 42.286 24.998 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.618 41.087 26.690 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.864 40.871 25.477 1.00 0.00 H new ATOM 0 HE ARG A 74 68.212 43.259 25.411 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.073 42.337 28.171 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.436 43.849 29.010 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.581 45.094 26.505 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.835 45.389 28.079 1.00 0.00 H new ATOM 1217 N GLY A 75 63.158 38.700 21.817 1.00 0.00 N ATOM 1218 CA GLY A 75 62.729 37.431 21.265 1.00 0.00 C ATOM 1219 C GLY A 75 61.690 37.528 20.145 1.00 0.00 C ATOM 1220 O GLY A 75 61.895 36.935 19.088 1.00 0.00 O ATOM 0 H GLY A 75 62.754 39.511 21.348 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.604 36.904 20.883 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.317 36.823 22.070 1.00 0.00 H new ATOM 1224 N GLY A 76 60.599 38.259 20.357 1.00 0.00 N ATOM 1225 CA GLY A 76 59.521 38.394 19.400 1.00 0.00 C ATOM 1226 C GLY A 76 59.865 39.229 18.164 1.00 0.00 C ATOM 1227 O GLY A 76 60.314 40.382 18.345 1.00 0.00 O ATOM 1228 OXT GLY A 76 59.660 38.734 17.035 1.00 0.00 O ATOM 0 H GLY A 76 60.443 38.782 21.219 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.214 37.400 19.076 1.00 0.00 H new ATOM 0 HA3 GLY A 76 58.664 38.845 19.900 1.00 0.00 H new TER 1232 GLY A 76