USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 60 ASN : amide:sc= 0.706 K(o=1.5,f=-1.4) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.831 K(o=1.5,f=-0.76) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0296 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00359) USER MOD Single : A 1 MET N :NH3+ -175:sc= 2.35 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.00111 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 169:sc= 1.23 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 2.11 (180deg=1.84) USER MOD Single : A 31 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.967) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 41 GLN : amide:sc= 0.55 K(o=0.55,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.813 K(o=0.81,f=-6.1!) USER MOD Single : A 55 THR OG1 : rot -45:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.409 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.132 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0963 X(o=-0.096,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.907 52.052 19.877 1.00 0.00 N ATOM 2 CA MET A 1 33.206 52.479 21.252 1.00 0.00 C ATOM 3 C MET A 1 34.704 52.733 21.427 1.00 0.00 C ATOM 4 O MET A 1 35.517 52.034 20.826 1.00 0.00 O ATOM 5 CB MET A 1 32.689 51.488 22.290 1.00 0.00 C ATOM 6 CG MET A 1 33.389 50.132 22.257 1.00 0.00 C ATOM 7 SD MET A 1 32.724 48.914 23.419 1.00 0.00 S ATOM 8 CE MET A 1 33.942 47.596 23.187 1.00 0.00 C ATOM 0 H1 MET A 1 31.878 51.967 19.756 1.00 0.00 H new ATOM 0 H2 MET A 1 33.277 52.756 19.207 1.00 0.00 H new ATOM 0 H3 MET A 1 33.354 51.131 19.694 1.00 0.00 H new ATOM 0 HA MET A 1 32.676 53.416 21.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.808 51.922 23.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.621 51.338 22.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.321 49.727 21.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.448 50.279 22.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.662 46.732 23.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.973 47.310 22.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.925 47.951 23.496 1.00 0.00 H new ATOM 20 N GLN A 2 35.070 53.680 22.287 1.00 0.00 N ATOM 21 CA GLN A 2 36.452 53.916 22.653 1.00 0.00 C ATOM 22 C GLN A 2 36.901 52.995 23.789 1.00 0.00 C ATOM 23 O GLN A 2 36.110 52.672 24.671 1.00 0.00 O ATOM 24 CB GLN A 2 36.667 55.385 23.007 1.00 0.00 C ATOM 25 CG GLN A 2 36.556 56.279 21.776 1.00 0.00 C ATOM 26 CD GLN A 2 36.678 57.775 22.071 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.647 58.239 23.209 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.757 58.609 21.039 1.00 0.00 N ATOM 0 H GLN A 2 34.409 54.305 22.748 1.00 0.00 H new ATOM 0 HA GLN A 2 37.073 53.680 21.789 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.931 55.693 23.749 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.650 55.511 23.462 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.332 55.996 21.065 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.597 56.093 21.292 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.784 58.242 20.088 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.791 59.616 21.198 1.00 0.00 H new ATOM 37 N ILE A 3 38.172 52.604 23.781 1.00 0.00 N ATOM 38 CA ILE A 3 38.895 51.955 24.856 1.00 0.00 C ATOM 39 C ILE A 3 40.236 52.660 25.078 1.00 0.00 C ATOM 40 O ILE A 3 40.572 53.588 24.345 1.00 0.00 O ATOM 41 CB ILE A 3 39.062 50.461 24.599 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.871 50.155 23.340 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.703 49.768 24.578 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.298 48.696 23.211 1.00 0.00 C ATOM 0 H ILE A 3 38.761 52.745 22.961 1.00 0.00 H new ATOM 0 HA ILE A 3 38.312 52.040 25.773 1.00 0.00 H new ATOM 0 HB ILE A 3 39.645 50.059 25.428 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.279 50.427 22.466 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.761 50.785 23.331 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.841 48.703 24.393 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.208 49.909 25.539 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.088 50.197 23.787 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.867 48.563 22.291 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.918 48.422 24.064 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.414 48.059 23.186 1.00 0.00 H new ATOM 56 N PHE A 4 41.023 52.220 26.055 1.00 0.00 N ATOM 57 CA PHE A 4 42.403 52.623 26.241 1.00 0.00 C ATOM 58 C PHE A 4 43.358 51.431 26.151 1.00 0.00 C ATOM 59 O PHE A 4 43.009 50.322 26.550 1.00 0.00 O ATOM 60 CB PHE A 4 42.592 53.314 27.589 1.00 0.00 C ATOM 61 CG PHE A 4 41.793 54.577 27.811 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.191 55.774 27.206 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.690 54.565 28.674 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.496 56.960 27.469 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.001 55.753 28.944 1.00 0.00 C ATOM 66 CZ PHE A 4 40.406 56.953 28.348 1.00 0.00 C ATOM 0 H PHE A 4 40.703 51.553 26.758 1.00 0.00 H new ATOM 0 HA PHE A 4 42.639 53.321 25.437 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.336 52.605 28.376 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.649 53.553 27.706 1.00 0.00 H new ATOM 0 HD1 PHE A 4 43.037 55.783 26.534 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.371 53.640 29.131 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.800 57.881 26.994 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.154 55.744 29.614 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.879 57.871 28.565 1.00 0.00 H new ATOM 76 N VAL A 5 44.587 51.671 25.704 1.00 0.00 N ATOM 77 CA VAL A 5 45.689 50.732 25.750 1.00 0.00 C ATOM 78 C VAL A 5 46.896 51.414 26.401 1.00 0.00 C ATOM 79 O VAL A 5 47.281 52.490 25.950 1.00 0.00 O ATOM 80 CB VAL A 5 46.041 50.197 24.365 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.099 49.102 24.457 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.840 49.613 23.627 1.00 0.00 C ATOM 0 H VAL A 5 44.847 52.563 25.284 1.00 0.00 H new ATOM 0 HA VAL A 5 45.390 49.870 26.347 1.00 0.00 H new ATOM 0 HB VAL A 5 46.413 51.058 23.809 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.333 48.737 23.457 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.001 49.506 24.916 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.720 48.280 25.064 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.155 49.250 22.649 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.425 48.787 24.204 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.081 50.385 23.500 1.00 0.00 H new ATOM 92 N LYS A 6 47.480 50.811 27.432 1.00 0.00 N ATOM 93 CA LYS A 6 48.594 51.346 28.189 1.00 0.00 C ATOM 94 C LYS A 6 49.797 50.407 28.302 1.00 0.00 C ATOM 95 O LYS A 6 49.635 49.198 28.456 1.00 0.00 O ATOM 96 CB LYS A 6 48.128 51.873 29.543 1.00 0.00 C ATOM 97 CG LYS A 6 47.598 50.805 30.495 1.00 0.00 C ATOM 98 CD LYS A 6 47.004 51.384 31.776 1.00 0.00 C ATOM 99 CE LYS A 6 48.048 51.926 32.750 1.00 0.00 C ATOM 100 NZ LYS A 6 47.420 52.508 33.946 1.00 0.00 N ATOM 0 H LYS A 6 47.174 49.900 27.772 1.00 0.00 H new ATOM 0 HA LYS A 6 48.974 52.187 27.610 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.960 52.388 30.023 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.346 52.615 29.379 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.837 50.216 29.983 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.408 50.123 30.753 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.313 52.186 31.515 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.421 50.611 32.276 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.722 51.122 33.047 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.654 52.683 32.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.157 52.866 34.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.796 53.291 33.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.862 51.779 34.435 1.00 0.00 H new ATOM 114 N THR A 7 51.002 50.966 28.263 1.00 0.00 N ATOM 115 CA THR A 7 52.265 50.261 28.340 1.00 0.00 C ATOM 116 C THR A 7 52.987 50.482 29.670 1.00 0.00 C ATOM 117 O THR A 7 52.854 51.530 30.299 1.00 0.00 O ATOM 118 CB THR A 7 53.203 50.632 27.195 1.00 0.00 C ATOM 119 OG1 THR A 7 53.442 52.022 27.176 1.00 0.00 O ATOM 120 CG2 THR A 7 52.637 50.222 25.839 1.00 0.00 C ATOM 0 H THR A 7 51.124 51.975 28.172 1.00 0.00 H new ATOM 0 HA THR A 7 52.006 49.205 28.260 1.00 0.00 H new ATOM 0 HB THR A 7 54.134 50.092 27.368 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.047 52.240 26.436 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.336 50.505 25.052 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.486 49.143 25.819 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.684 50.725 25.675 1.00 0.00 H new ATOM 128 N LEU A 8 53.791 49.509 30.089 1.00 0.00 N ATOM 129 CA LEU A 8 54.566 49.530 31.313 1.00 0.00 C ATOM 130 C LEU A 8 55.621 50.638 31.325 1.00 0.00 C ATOM 131 O LEU A 8 55.972 51.149 32.387 1.00 0.00 O ATOM 132 CB LEU A 8 55.226 48.166 31.499 1.00 0.00 C ATOM 133 CG LEU A 8 54.291 46.961 31.549 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.105 45.671 31.612 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.363 46.983 32.760 1.00 0.00 C ATOM 0 H LEU A 8 53.922 48.649 29.557 1.00 0.00 H new ATOM 0 HA LEU A 8 53.888 49.742 32.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.934 48.015 30.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.803 48.189 32.423 1.00 0.00 H new ATOM 0 HG LEU A 8 53.685 47.007 30.644 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.430 44.816 31.647 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.738 45.597 30.728 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.729 45.678 32.506 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.721 46.102 32.743 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.957 46.981 33.674 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.747 47.881 32.730 1.00 0.00 H new ATOM 147 N THR A 9 56.073 51.088 30.157 1.00 0.00 N ATOM 148 CA THR A 9 56.932 52.241 29.979 1.00 0.00 C ATOM 149 C THR A 9 56.190 53.579 29.983 1.00 0.00 C ATOM 150 O THR A 9 56.780 54.613 29.679 1.00 0.00 O ATOM 151 CB THR A 9 57.805 52.093 28.736 1.00 0.00 C ATOM 152 OG1 THR A 9 56.995 51.890 27.600 1.00 0.00 O ATOM 153 CG2 THR A 9 58.751 50.901 28.850 1.00 0.00 C ATOM 0 H THR A 9 55.836 50.635 29.274 1.00 0.00 H new ATOM 0 HA THR A 9 57.577 52.264 30.857 1.00 0.00 H new ATOM 0 HB THR A 9 58.388 53.009 28.644 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.562 51.798 26.806 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.356 50.829 27.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.403 51.035 29.713 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.171 49.986 28.972 1.00 0.00 H new ATOM 161 N GLY A 10 54.920 53.602 30.376 1.00 0.00 N ATOM 162 CA GLY A 10 54.192 54.806 30.722 1.00 0.00 C ATOM 163 C GLY A 10 53.722 55.635 29.525 1.00 0.00 C ATOM 164 O GLY A 10 53.881 56.853 29.535 1.00 0.00 O ATOM 0 H GLY A 10 54.358 52.756 30.463 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.323 54.530 31.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.826 55.430 31.352 1.00 0.00 H new ATOM 168 N LYS A 11 53.162 54.978 28.514 1.00 0.00 N ATOM 169 CA LYS A 11 52.362 55.598 27.477 1.00 0.00 C ATOM 170 C LYS A 11 50.939 55.035 27.488 1.00 0.00 C ATOM 171 O LYS A 11 50.744 53.860 27.788 1.00 0.00 O ATOM 172 CB LYS A 11 53.002 55.441 26.101 1.00 0.00 C ATOM 173 CG LYS A 11 54.389 56.072 26.013 1.00 0.00 C ATOM 174 CD LYS A 11 54.929 56.057 24.586 1.00 0.00 C ATOM 175 CE LYS A 11 54.261 57.111 23.707 1.00 0.00 C ATOM 176 NZ LYS A 11 54.573 56.899 22.285 1.00 0.00 N ATOM 0 H LYS A 11 53.259 53.970 28.395 1.00 0.00 H new ATOM 0 HA LYS A 11 52.312 56.666 27.690 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.075 54.381 25.859 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.354 55.895 25.351 1.00 0.00 H new ATOM 0 HG2 LYS A 11 54.344 57.100 26.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 55.075 55.534 26.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 56.005 56.230 24.604 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.772 55.070 24.150 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.181 57.078 23.853 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.593 58.104 24.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.105 57.631 21.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.602 56.955 22.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.233 55.961 21.991 1.00 0.00 H new ATOM 190 N THR A 12 49.959 55.851 27.106 1.00 0.00 N ATOM 191 CA THR A 12 48.584 55.436 26.910 1.00 0.00 C ATOM 192 C THR A 12 48.045 56.007 25.597 1.00 0.00 C ATOM 193 O THR A 12 48.311 57.163 25.273 1.00 0.00 O ATOM 194 CB THR A 12 47.687 55.852 28.073 1.00 0.00 C ATOM 195 OG1 THR A 12 48.158 55.321 29.290 1.00 0.00 O ATOM 196 CG2 THR A 12 46.249 55.358 27.934 1.00 0.00 C ATOM 0 H THR A 12 50.110 56.843 26.921 1.00 0.00 H new ATOM 0 HA THR A 12 48.574 54.347 26.865 1.00 0.00 H new ATOM 0 HB THR A 12 47.709 56.942 28.061 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.568 55.603 30.020 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.666 55.688 28.794 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.812 55.763 27.022 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.241 54.269 27.887 1.00 0.00 H new ATOM 204 N ILE A 13 47.285 55.203 24.859 1.00 0.00 N ATOM 205 CA ILE A 13 46.559 55.589 23.666 1.00 0.00 C ATOM 206 C ILE A 13 45.071 55.247 23.779 1.00 0.00 C ATOM 207 O ILE A 13 44.697 54.273 24.426 1.00 0.00 O ATOM 208 CB ILE A 13 47.160 54.987 22.401 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.172 53.461 22.414 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.544 55.578 22.147 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.629 52.806 21.113 1.00 0.00 C ATOM 0 H ILE A 13 47.156 54.219 25.093 1.00 0.00 H new ATOM 0 HA ILE A 13 46.653 56.672 23.584 1.00 0.00 H new ATOM 0 HB ILE A 13 46.513 55.258 21.566 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.824 53.125 23.220 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.168 53.107 22.648 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.965 55.142 21.241 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.462 56.658 22.025 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.195 55.357 22.993 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.603 51.722 21.223 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.965 53.105 20.302 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.646 53.123 20.884 1.00 0.00 H new ATOM 223 N THR A 14 44.230 56.026 23.104 1.00 0.00 N ATOM 224 CA THR A 14 42.825 55.737 22.895 1.00 0.00 C ATOM 225 C THR A 14 42.660 54.904 21.622 1.00 0.00 C ATOM 226 O THR A 14 43.357 55.143 20.640 1.00 0.00 O ATOM 227 CB THR A 14 42.007 57.023 22.824 1.00 0.00 C ATOM 228 OG1 THR A 14 42.193 57.750 24.018 1.00 0.00 O ATOM 229 CG2 THR A 14 40.505 56.793 22.687 1.00 0.00 C ATOM 0 H THR A 14 44.523 56.904 22.675 1.00 0.00 H new ATOM 0 HA THR A 14 42.450 55.163 23.742 1.00 0.00 H new ATOM 0 HB THR A 14 42.356 57.551 21.937 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.943 57.191 24.783 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.992 57.754 22.643 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.305 56.233 21.774 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.144 56.228 23.546 1.00 0.00 H new ATOM 237 N LEU A 15 41.762 53.923 21.619 1.00 0.00 N ATOM 238 CA LEU A 15 41.504 53.071 20.475 1.00 0.00 C ATOM 239 C LEU A 15 40.002 52.950 20.210 1.00 0.00 C ATOM 240 O LEU A 15 39.240 52.738 21.150 1.00 0.00 O ATOM 241 CB LEU A 15 42.152 51.710 20.706 1.00 0.00 C ATOM 242 CG LEU A 15 42.706 51.052 19.445 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.017 51.701 19.014 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.981 49.578 19.724 1.00 0.00 C ATOM 0 H LEU A 15 41.185 53.698 22.430 1.00 0.00 H new ATOM 0 HA LEU A 15 41.944 53.517 19.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.962 51.825 21.427 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.417 51.043 21.156 1.00 0.00 H new ATOM 0 HG LEU A 15 41.967 51.172 18.652 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.387 51.211 18.113 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.849 52.758 18.809 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.753 51.598 19.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.377 49.105 18.825 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.709 49.490 20.531 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.054 49.084 20.016 1.00 0.00 H new ATOM 256 N GLU A 16 39.571 53.046 18.955 1.00 0.00 N ATOM 257 CA GLU A 16 38.183 52.901 18.560 1.00 0.00 C ATOM 258 C GLU A 16 37.902 51.497 18.022 1.00 0.00 C ATOM 259 O GLU A 16 38.556 51.035 17.090 1.00 0.00 O ATOM 260 CB GLU A 16 37.813 54.020 17.590 1.00 0.00 C ATOM 261 CG GLU A 16 36.424 53.915 16.967 1.00 0.00 C ATOM 262 CD GLU A 16 35.286 53.926 17.989 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.320 54.709 18.963 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.294 53.187 17.805 1.00 0.00 O ATOM 0 H GLU A 16 40.196 53.231 18.170 1.00 0.00 H new ATOM 0 HA GLU A 16 37.536 53.004 19.431 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.886 54.972 18.116 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.551 54.042 16.788 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.284 54.743 16.273 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.366 52.996 16.383 1.00 0.00 H new ATOM 271 N VAL A 17 36.940 50.802 18.622 1.00 0.00 N ATOM 272 CA VAL A 17 36.654 49.396 18.418 1.00 0.00 C ATOM 273 C VAL A 17 35.156 49.087 18.403 1.00 0.00 C ATOM 274 O VAL A 17 34.340 49.839 18.931 1.00 0.00 O ATOM 275 CB VAL A 17 37.345 48.529 19.466 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.865 48.593 19.353 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.949 48.879 20.897 1.00 0.00 C ATOM 0 H VAL A 17 36.309 51.232 19.298 1.00 0.00 H new ATOM 0 HA VAL A 17 37.051 49.155 17.432 1.00 0.00 H new ATOM 0 HB VAL A 17 37.003 47.516 19.252 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.314 47.960 20.119 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.172 48.243 18.367 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.197 49.622 19.492 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.477 48.225 21.591 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.213 49.916 21.104 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.874 48.747 21.020 1.00 0.00 H new ATOM 287 N GLU A 18 34.795 47.928 17.859 1.00 0.00 N ATOM 288 CA GLU A 18 33.516 47.287 18.089 1.00 0.00 C ATOM 289 C GLU A 18 33.711 45.984 18.866 1.00 0.00 C ATOM 290 O GLU A 18 34.733 45.328 18.670 1.00 0.00 O ATOM 291 CB GLU A 18 32.804 46.976 16.775 1.00 0.00 C ATOM 292 CG GLU A 18 32.430 48.183 15.920 1.00 0.00 C ATOM 293 CD GLU A 18 31.468 49.164 16.596 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.607 48.761 17.406 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.532 50.370 16.276 1.00 0.00 O ATOM 0 H GLU A 18 35.403 47.401 17.232 1.00 0.00 H new ATOM 0 HA GLU A 18 32.903 47.979 18.666 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.443 46.320 16.184 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.895 46.418 16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.341 48.716 15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.978 47.830 14.993 1.00 0.00 H new ATOM 302 N PRO A 19 32.766 45.536 19.688 1.00 0.00 N ATOM 303 CA PRO A 19 32.832 44.255 20.362 1.00 0.00 C ATOM 304 C PRO A 19 33.123 43.050 19.465 1.00 0.00 C ATOM 305 O PRO A 19 33.729 42.075 19.905 1.00 0.00 O ATOM 306 CB PRO A 19 31.490 44.099 21.070 1.00 0.00 C ATOM 307 CG PRO A 19 31.070 45.539 21.356 1.00 0.00 C ATOM 308 CD PRO A 19 31.613 46.288 20.141 1.00 0.00 C ATOM 0 HA PRO A 19 33.684 44.262 21.042 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.762 43.585 20.442 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.585 43.519 21.988 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.988 45.637 21.443 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.499 45.910 22.287 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.859 46.356 19.356 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.892 47.308 20.405 1.00 0.00 H new ATOM 316 N SER A 20 32.748 43.118 18.191 1.00 0.00 N ATOM 317 CA SER A 20 33.020 42.129 17.168 1.00 0.00 C ATOM 318 C SER A 20 34.467 42.063 16.674 1.00 0.00 C ATOM 319 O SER A 20 34.782 41.144 15.921 1.00 0.00 O ATOM 320 CB SER A 20 32.082 42.373 15.989 1.00 0.00 C ATOM 321 OG SER A 20 32.270 43.662 15.450 1.00 0.00 O ATOM 0 H SER A 20 32.217 43.911 17.831 1.00 0.00 H new ATOM 0 HA SER A 20 32.847 41.161 17.639 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.259 41.623 15.218 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.048 42.258 16.313 1.00 0.00 H new ATOM 0 HG SER A 20 31.659 43.793 14.695 1.00 0.00 H new ATOM 327 N ASP A 21 35.343 42.994 17.044 1.00 0.00 N ATOM 328 CA ASP A 21 36.715 43.037 16.581 1.00 0.00 C ATOM 329 C ASP A 21 37.549 41.885 17.143 1.00 0.00 C ATOM 330 O ASP A 21 37.583 41.643 18.348 1.00 0.00 O ATOM 331 CB ASP A 21 37.383 44.368 16.914 1.00 0.00 C ATOM 332 CG ASP A 21 36.952 45.553 16.047 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.198 46.710 16.454 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.481 45.358 14.906 1.00 0.00 O ATOM 0 H ASP A 21 35.108 43.751 17.686 1.00 0.00 H new ATOM 0 HA ASP A 21 36.672 42.930 15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.176 44.608 17.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.462 44.246 16.823 1.00 0.00 H new ATOM 339 N THR A 22 38.275 41.196 16.267 1.00 0.00 N ATOM 340 CA THR A 22 39.217 40.137 16.563 1.00 0.00 C ATOM 341 C THR A 22 40.563 40.656 17.072 1.00 0.00 C ATOM 342 O THR A 22 40.948 41.790 16.796 1.00 0.00 O ATOM 343 CB THR A 22 39.475 39.267 15.336 1.00 0.00 C ATOM 344 OG1 THR A 22 39.787 40.068 14.219 1.00 0.00 O ATOM 345 CG2 THR A 22 38.287 38.393 14.940 1.00 0.00 C ATOM 0 H THR A 22 38.212 41.380 15.266 1.00 0.00 H new ATOM 0 HA THR A 22 38.750 39.551 17.355 1.00 0.00 H new ATOM 0 HB THR A 22 40.305 38.620 15.619 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.114 39.500 13.490 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.546 37.804 14.060 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.037 37.724 15.764 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.429 39.026 14.713 1.00 0.00 H new ATOM 353 N ILE A 23 41.310 39.828 17.797 1.00 0.00 N ATOM 354 CA ILE A 23 42.591 40.192 18.368 1.00 0.00 C ATOM 355 C ILE A 23 43.598 40.685 17.327 1.00 0.00 C ATOM 356 O ILE A 23 44.248 41.698 17.581 1.00 0.00 O ATOM 357 CB ILE A 23 43.121 39.067 19.251 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.445 39.072 20.619 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.638 39.062 19.418 1.00 0.00 C ATOM 360 CD1 ILE A 23 42.833 40.208 21.562 1.00 0.00 C ATOM 0 H ILE A 23 41.031 38.869 18.004 1.00 0.00 H new ATOM 0 HA ILE A 23 42.433 41.058 19.011 1.00 0.00 H new ATOM 0 HB ILE A 23 42.868 38.149 18.720 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.366 39.107 20.467 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.667 38.126 21.113 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.931 38.231 20.060 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.111 38.951 18.442 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.957 40.000 19.871 1.00 0.00 H new ATOM 0 HD11 ILE A 23 42.288 40.104 22.500 1.00 0.00 H new ATOM 0 HD12 ILE A 23 43.904 40.168 21.758 1.00 0.00 H new ATOM 0 HD13 ILE A 23 42.584 41.164 21.102 1.00 0.00 H new ATOM 372 N GLU A 24 43.706 40.082 16.146 1.00 0.00 N ATOM 373 CA GLU A 24 44.645 40.550 15.146 1.00 0.00 C ATOM 374 C GLU A 24 44.271 41.919 14.575 1.00 0.00 C ATOM 375 O GLU A 24 45.162 42.713 14.283 1.00 0.00 O ATOM 376 CB GLU A 24 44.920 39.511 14.062 1.00 0.00 C ATOM 377 CG GLU A 24 43.850 39.281 12.998 1.00 0.00 C ATOM 378 CD GLU A 24 42.558 38.634 13.500 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.549 38.014 14.587 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.525 38.741 12.806 1.00 0.00 O ATOM 0 H GLU A 24 43.154 39.272 15.864 1.00 0.00 H new ATOM 0 HA GLU A 24 45.591 40.694 15.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.841 39.796 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.111 38.558 14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.603 40.239 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.271 38.652 12.213 1.00 0.00 H new ATOM 387 N ASN A 25 42.985 42.252 14.501 1.00 0.00 N ATOM 388 CA ASN A 25 42.544 43.567 14.084 1.00 0.00 C ATOM 389 C ASN A 25 42.722 44.620 15.181 1.00 0.00 C ATOM 390 O ASN A 25 43.077 45.755 14.871 1.00 0.00 O ATOM 391 CB ASN A 25 41.122 43.498 13.535 1.00 0.00 C ATOM 392 CG ASN A 25 41.066 43.000 12.089 1.00 0.00 C ATOM 393 OD1 ASN A 25 42.003 42.431 11.534 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.947 43.216 11.402 1.00 0.00 N ATOM 0 H ASN A 25 42.224 41.613 14.730 1.00 0.00 H new ATOM 0 HA ASN A 25 43.189 43.902 13.271 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.526 42.837 14.165 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.668 44.487 13.591 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.878 42.911 10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.159 43.687 11.846 1.00 0.00 H new ATOM 401 N VAL A 26 42.602 44.260 16.455 1.00 0.00 N ATOM 402 CA VAL A 26 42.983 45.130 17.549 1.00 0.00 C ATOM 403 C VAL A 26 44.488 45.402 17.536 1.00 0.00 C ATOM 404 O VAL A 26 44.900 46.557 17.617 1.00 0.00 O ATOM 405 CB VAL A 26 42.500 44.587 18.891 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.962 45.446 20.066 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.976 44.545 18.945 1.00 0.00 C ATOM 0 H VAL A 26 42.237 43.355 16.752 1.00 0.00 H new ATOM 0 HA VAL A 26 42.485 46.089 17.406 1.00 0.00 H new ATOM 0 HB VAL A 26 42.926 43.587 18.975 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.592 45.017 20.998 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.051 45.477 20.088 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.572 46.458 19.952 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.657 44.154 19.911 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.579 45.551 18.811 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.601 43.899 18.151 1.00 0.00 H new ATOM 417 N LYS A 27 45.314 44.381 17.326 1.00 0.00 N ATOM 418 CA LYS A 27 46.746 44.526 17.163 1.00 0.00 C ATOM 419 C LYS A 27 47.123 45.366 15.941 1.00 0.00 C ATOM 420 O LYS A 27 48.070 46.147 16.018 1.00 0.00 O ATOM 421 CB LYS A 27 47.413 43.154 17.139 1.00 0.00 C ATOM 422 CG LYS A 27 47.384 42.457 18.497 1.00 0.00 C ATOM 423 CD LYS A 27 47.962 41.047 18.423 1.00 0.00 C ATOM 424 CE LYS A 27 48.072 40.439 19.818 1.00 0.00 C ATOM 425 NZ LYS A 27 48.626 39.077 19.768 1.00 0.00 N ATOM 0 H LYS A 27 44.995 43.414 17.264 1.00 0.00 H new ATOM 0 HA LYS A 27 47.120 45.079 18.025 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.913 42.525 16.402 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.448 43.264 16.814 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.951 43.045 19.219 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.357 42.410 18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.328 40.420 17.796 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.945 41.075 17.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.706 41.069 20.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.087 40.416 20.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.547 38.635 20.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.096 38.512 19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.627 39.119 19.489 1.00 0.00 H new ATOM 439 N ALA A 28 46.361 45.284 14.854 1.00 0.00 N ATOM 440 CA ALA A 28 46.542 46.118 13.684 1.00 0.00 C ATOM 441 C ALA A 28 46.198 47.585 13.951 1.00 0.00 C ATOM 442 O ALA A 28 46.941 48.471 13.533 1.00 0.00 O ATOM 443 CB ALA A 28 45.713 45.557 12.531 1.00 0.00 C ATOM 0 H ALA A 28 45.589 44.623 14.766 1.00 0.00 H new ATOM 0 HA ALA A 28 47.598 46.100 13.415 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.847 46.183 11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.040 44.541 12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.660 45.546 12.812 1.00 0.00 H new ATOM 449 N LYS A 29 45.141 47.871 14.706 1.00 0.00 N ATOM 450 CA LYS A 29 44.792 49.215 15.121 1.00 0.00 C ATOM 451 C LYS A 29 45.877 49.850 15.993 1.00 0.00 C ATOM 452 O LYS A 29 46.155 51.038 15.842 1.00 0.00 O ATOM 453 CB LYS A 29 43.438 49.208 15.824 1.00 0.00 C ATOM 454 CG LYS A 29 42.267 49.012 14.864 1.00 0.00 C ATOM 455 CD LYS A 29 40.940 48.909 15.612 1.00 0.00 C ATOM 456 CE LYS A 29 39.783 48.836 14.620 1.00 0.00 C ATOM 457 NZ LYS A 29 38.470 48.849 15.282 1.00 0.00 N ATOM 0 H LYS A 29 44.496 47.159 15.049 1.00 0.00 H new ATOM 0 HA LYS A 29 44.717 49.835 14.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.426 48.413 16.569 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.308 50.149 16.359 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.227 49.846 14.163 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.425 48.108 14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.940 48.024 16.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.814 49.772 16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.847 49.678 13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.877 47.928 14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.724 48.985 14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.320 47.944 15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.437 49.626 15.972 1.00 0.00 H new ATOM 471 N ILE A 30 46.520 49.070 16.857 1.00 0.00 N ATOM 472 CA ILE A 30 47.651 49.478 17.667 1.00 0.00 C ATOM 473 C ILE A 30 48.908 49.673 16.818 1.00 0.00 C ATOM 474 O ILE A 30 49.617 50.659 17.014 1.00 0.00 O ATOM 475 CB ILE A 30 47.863 48.479 18.801 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.678 48.488 19.762 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.157 48.738 19.568 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.627 47.287 20.702 1.00 0.00 C ATOM 0 H ILE A 30 46.252 48.098 17.014 1.00 0.00 H new ATOM 0 HA ILE A 30 47.434 50.449 18.112 1.00 0.00 H new ATOM 0 HB ILE A 30 47.943 47.495 18.340 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.714 49.400 20.358 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.755 48.522 19.183 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.262 48.001 20.364 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.005 48.660 18.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.130 49.738 20.001 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.756 47.370 21.352 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.557 46.370 20.117 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.531 47.262 21.310 1.00 0.00 H new ATOM 490 N GLN A 31 49.166 48.802 15.847 1.00 0.00 N ATOM 491 CA GLN A 31 50.255 48.936 14.901 1.00 0.00 C ATOM 492 C GLN A 31 50.160 50.247 14.118 1.00 0.00 C ATOM 493 O GLN A 31 51.155 50.958 13.996 1.00 0.00 O ATOM 494 CB GLN A 31 50.265 47.741 13.953 1.00 0.00 C ATOM 495 CG GLN A 31 51.412 47.796 12.948 1.00 0.00 C ATOM 496 CD GLN A 31 51.308 46.761 11.826 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.406 45.930 11.754 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.258 46.803 10.898 1.00 0.00 N ATOM 0 H GLN A 31 48.605 47.963 15.697 1.00 0.00 H new ATOM 0 HA GLN A 31 51.192 48.958 15.458 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.340 46.822 14.534 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.318 47.701 13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.447 48.792 12.507 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.353 47.649 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.004 47.495 10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.241 46.143 10.120 1.00 0.00 H new ATOM 507 N ASP A 32 48.981 50.607 13.620 1.00 0.00 N ATOM 508 CA ASP A 32 48.786 51.871 12.939 1.00 0.00 C ATOM 509 C ASP A 32 49.026 53.078 13.848 1.00 0.00 C ATOM 510 O ASP A 32 49.651 54.046 13.420 1.00 0.00 O ATOM 511 CB ASP A 32 47.388 51.908 12.328 1.00 0.00 C ATOM 512 CG ASP A 32 47.119 53.252 11.649 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.892 53.635 10.744 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.136 53.921 12.036 1.00 0.00 O ATOM 0 H ASP A 32 48.142 50.030 13.679 1.00 0.00 H new ATOM 0 HA ASP A 32 49.531 51.942 12.147 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.284 51.103 11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.644 51.734 13.105 1.00 0.00 H new ATOM 519 N LYS A 33 48.574 53.026 15.098 1.00 0.00 N ATOM 520 CA LYS A 33 48.631 54.158 16.002 1.00 0.00 C ATOM 521 C LYS A 33 49.991 54.387 16.664 1.00 0.00 C ATOM 522 O LYS A 33 50.346 55.547 16.861 1.00 0.00 O ATOM 523 CB LYS A 33 47.456 54.091 16.971 1.00 0.00 C ATOM 524 CG LYS A 33 47.219 55.419 17.683 1.00 0.00 C ATOM 525 CD LYS A 33 45.857 55.546 18.360 1.00 0.00 C ATOM 526 CE LYS A 33 44.691 55.573 17.374 1.00 0.00 C ATOM 527 NZ LYS A 33 43.471 56.085 18.017 1.00 0.00 N ATOM 0 H LYS A 33 48.157 52.191 15.509 1.00 0.00 H new ATOM 0 HA LYS A 33 48.525 55.064 15.405 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.555 53.806 16.428 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.641 53.312 17.711 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.997 55.557 18.434 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.327 56.228 16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.722 54.712 19.048 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.840 56.458 18.957 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.947 56.199 16.519 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.511 54.569 16.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.638 55.627 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.502 55.877 19.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.410 57.114 17.876 1.00 0.00 H new ATOM 541 N GLU A 34 50.773 53.355 16.967 1.00 0.00 N ATOM 542 CA GLU A 34 52.058 53.447 17.629 1.00 0.00 C ATOM 543 C GLU A 34 53.239 52.823 16.883 1.00 0.00 C ATOM 544 O GLU A 34 54.374 52.951 17.335 1.00 0.00 O ATOM 545 CB GLU A 34 51.963 52.870 19.038 1.00 0.00 C ATOM 546 CG GLU A 34 51.313 53.796 20.061 1.00 0.00 C ATOM 547 CD GLU A 34 52.230 54.948 20.480 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.188 54.733 21.254 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.002 56.096 20.041 1.00 0.00 O ATOM 0 H GLU A 34 50.512 52.394 16.746 1.00 0.00 H new ATOM 0 HA GLU A 34 52.281 54.514 17.655 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.396 51.940 18.998 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.966 52.618 19.382 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.392 54.203 19.643 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.035 53.219 20.943 1.00 0.00 H new ATOM 556 N GLY A 35 53.035 52.137 15.761 1.00 0.00 N ATOM 557 CA GLY A 35 54.096 51.564 14.957 1.00 0.00 C ATOM 558 C GLY A 35 54.649 50.226 15.451 1.00 0.00 C ATOM 559 O GLY A 35 55.610 49.710 14.883 1.00 0.00 O ATOM 0 H GLY A 35 52.104 51.964 15.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.726 51.431 13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.917 52.280 14.906 1.00 0.00 H new ATOM 563 N ILE A 36 54.060 49.654 16.497 1.00 0.00 N ATOM 564 CA ILE A 36 54.509 48.446 17.159 1.00 0.00 C ATOM 565 C ILE A 36 54.178 47.221 16.303 1.00 0.00 C ATOM 566 O ILE A 36 52.995 47.000 16.052 1.00 0.00 O ATOM 567 CB ILE A 36 53.905 48.356 18.557 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.309 49.547 19.423 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.319 47.052 19.234 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.538 49.674 20.733 1.00 0.00 C ATOM 0 H ILE A 36 53.218 50.043 16.921 1.00 0.00 H new ATOM 0 HA ILE A 36 55.592 48.476 17.276 1.00 0.00 H new ATOM 0 HB ILE A 36 52.821 48.374 18.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.372 49.470 19.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.171 50.462 18.846 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.880 47.004 20.230 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.968 46.207 18.641 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.405 47.013 19.314 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.893 50.547 21.281 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.475 49.786 20.520 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.695 48.779 21.336 1.00 0.00 H new ATOM 582 N PRO A 37 55.141 46.408 15.880 1.00 0.00 N ATOM 583 CA PRO A 37 54.886 45.293 14.990 1.00 0.00 C ATOM 584 C PRO A 37 53.897 44.273 15.556 1.00 0.00 C ATOM 585 O PRO A 37 53.918 43.999 16.755 1.00 0.00 O ATOM 586 CB PRO A 37 56.239 44.654 14.687 1.00 0.00 C ATOM 587 CG PRO A 37 57.206 45.817 14.888 1.00 0.00 C ATOM 588 CD PRO A 37 56.570 46.564 16.056 1.00 0.00 C ATOM 0 HA PRO A 37 54.406 45.658 14.082 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.456 43.825 15.360 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.283 44.260 13.672 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.213 45.473 15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.283 46.442 13.998 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.896 46.151 17.011 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.854 47.616 16.051 1.00 0.00 H new ATOM 596 N PRO A 38 53.032 43.685 14.734 1.00 0.00 N ATOM 597 CA PRO A 38 51.871 42.953 15.198 1.00 0.00 C ATOM 598 C PRO A 38 52.223 41.669 15.952 1.00 0.00 C ATOM 599 O PRO A 38 51.540 41.310 16.909 1.00 0.00 O ATOM 600 CB PRO A 38 51.054 42.665 13.942 1.00 0.00 C ATOM 601 CG PRO A 38 52.097 42.645 12.828 1.00 0.00 C ATOM 602 CD PRO A 38 53.060 43.737 13.286 1.00 0.00 C ATOM 0 HA PRO A 38 51.314 43.540 15.929 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.529 41.713 14.016 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.300 43.433 13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.588 41.675 12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 38 51.660 42.867 11.854 1.00 0.00 H new ATOM 0 HD2 PRO A 38 54.066 43.560 12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.748 44.716 12.921 1.00 0.00 H new ATOM 610 N ASP A 39 53.316 41.001 15.594 1.00 0.00 N ATOM 611 CA ASP A 39 53.789 39.807 16.264 1.00 0.00 C ATOM 612 C ASP A 39 54.468 40.091 17.606 1.00 0.00 C ATOM 613 O ASP A 39 54.678 39.164 18.385 1.00 0.00 O ATOM 614 CB ASP A 39 54.666 38.987 15.323 1.00 0.00 C ATOM 615 CG ASP A 39 56.027 39.624 15.038 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.062 40.775 14.552 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.064 38.966 15.273 1.00 0.00 O ATOM 0 H ASP A 39 53.906 41.286 14.812 1.00 0.00 H new ATOM 0 HA ASP A 39 52.914 39.210 16.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.821 37.998 15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.137 38.844 14.381 1.00 0.00 H new ATOM 622 N GLN A 40 54.779 41.346 17.922 1.00 0.00 N ATOM 623 CA GLN A 40 55.466 41.752 19.131 1.00 0.00 C ATOM 624 C GLN A 40 54.537 42.179 20.269 1.00 0.00 C ATOM 625 O GLN A 40 55.028 42.528 21.341 1.00 0.00 O ATOM 626 CB GLN A 40 56.466 42.856 18.803 1.00 0.00 C ATOM 627 CG GLN A 40 57.564 42.421 17.837 1.00 0.00 C ATOM 628 CD GLN A 40 58.575 43.532 17.550 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.677 44.530 18.262 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.370 43.415 16.491 1.00 0.00 N ATOM 0 H GLN A 40 54.548 42.133 17.315 1.00 0.00 H new ATOM 0 HA GLN A 40 55.986 40.870 19.504 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.931 43.703 18.374 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.925 43.205 19.728 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.086 41.559 18.252 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.110 42.098 16.900 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.300 42.595 15.889 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.050 44.146 16.281 1.00 0.00 H new ATOM 639 N GLN A 41 53.224 42.153 20.066 1.00 0.00 N ATOM 640 CA GLN A 41 52.231 42.638 21.003 1.00 0.00 C ATOM 641 C GLN A 41 51.598 41.505 21.812 1.00 0.00 C ATOM 642 O GLN A 41 50.914 40.661 21.237 1.00 0.00 O ATOM 643 CB GLN A 41 51.139 43.394 20.250 1.00 0.00 C ATOM 644 CG GLN A 41 51.602 44.604 19.445 1.00 0.00 C ATOM 645 CD GLN A 41 50.444 45.282 18.709 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.305 45.280 19.169 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.657 45.886 17.544 1.00 0.00 N ATOM 0 H GLN A 41 52.813 41.779 19.211 1.00 0.00 H new ATOM 0 HA GLN A 41 52.739 43.302 21.702 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.644 42.699 19.572 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.391 43.725 20.970 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.077 45.323 20.112 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.357 44.292 18.723 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.594 45.901 17.141 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.883 46.334 17.053 1.00 0.00 H new ATOM 656 N ARG A 42 51.739 41.493 23.135 1.00 0.00 N ATOM 657 CA ARG A 42 50.869 40.760 24.032 1.00 0.00 C ATOM 658 C ARG A 42 49.811 41.711 24.596 1.00 0.00 C ATOM 659 O ARG A 42 50.183 42.767 25.103 1.00 0.00 O ATOM 660 CB ARG A 42 51.643 40.146 25.196 1.00 0.00 C ATOM 661 CG ARG A 42 52.652 39.057 24.844 1.00 0.00 C ATOM 662 CD ARG A 42 53.406 38.661 26.110 1.00 0.00 C ATOM 663 NE ARG A 42 54.477 37.697 25.860 1.00 0.00 N ATOM 664 CZ ARG A 42 54.501 36.392 26.164 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.445 35.714 26.634 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.648 35.715 26.011 1.00 0.00 N ATOM 0 H ARG A 42 52.478 42.005 23.617 1.00 0.00 H new ATOM 0 HA ARG A 42 50.406 39.954 23.463 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.172 40.946 25.714 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.924 39.730 25.902 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.142 38.191 24.422 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.348 39.417 24.087 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.829 39.555 26.569 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.703 38.237 26.827 1.00 0.00 H new ATOM 0 HE ARG A 42 55.309 38.063 25.397 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.556 36.192 26.780 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.530 34.720 26.846 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.481 36.194 25.669 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.688 34.721 26.237 1.00 0.00 H new ATOM 680 N LEU A 43 48.534 41.343 24.553 1.00 0.00 N ATOM 681 CA LEU A 43 47.437 42.121 25.093 1.00 0.00 C ATOM 682 C LEU A 43 46.844 41.446 26.332 1.00 0.00 C ATOM 683 O LEU A 43 46.693 40.226 26.352 1.00 0.00 O ATOM 684 CB LEU A 43 46.374 42.359 24.024 1.00 0.00 C ATOM 685 CG LEU A 43 46.850 43.112 22.784 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.700 43.241 21.789 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.360 44.514 23.104 1.00 0.00 C ATOM 0 H LEU A 43 48.231 40.467 24.127 1.00 0.00 H new ATOM 0 HA LEU A 43 47.823 43.092 25.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.975 41.394 23.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.550 42.915 24.472 1.00 0.00 H new ATOM 0 HG LEU A 43 47.676 42.536 22.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.042 43.779 20.905 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.356 42.248 21.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.879 43.788 22.251 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.685 45.002 22.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.560 45.097 23.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.200 44.447 23.795 1.00 0.00 H new ATOM 699 N ILE A 44 46.504 42.236 27.346 1.00 0.00 N ATOM 700 CA ILE A 44 45.962 41.800 28.617 1.00 0.00 C ATOM 701 C ILE A 44 44.705 42.596 28.978 1.00 0.00 C ATOM 702 O ILE A 44 44.690 43.820 28.868 1.00 0.00 O ATOM 703 CB ILE A 44 47.034 41.868 29.701 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.122 40.821 29.479 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.464 41.728 31.109 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.380 41.022 30.320 1.00 0.00 C ATOM 0 H ILE A 44 46.607 43.250 27.295 1.00 0.00 H new ATOM 0 HA ILE A 44 45.654 40.758 28.534 1.00 0.00 H new ATOM 0 HB ILE A 44 47.473 42.862 29.620 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.709 39.836 29.696 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.401 40.824 28.425 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.274 41.784 31.837 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.752 42.532 31.295 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.958 40.767 31.203 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.097 40.232 30.096 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.822 41.991 30.087 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.120 40.987 31.378 1.00 0.00 H new ATOM 718 N PHE A 45 43.671 41.917 29.466 1.00 0.00 N ATOM 719 CA PHE A 45 42.499 42.494 30.092 1.00 0.00 C ATOM 720 C PHE A 45 42.046 41.686 31.311 1.00 0.00 C ATOM 721 O PHE A 45 42.035 40.458 31.281 1.00 0.00 O ATOM 722 CB PHE A 45 41.355 42.629 29.091 1.00 0.00 C ATOM 723 CG PHE A 45 40.074 43.171 29.680 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.984 44.521 30.042 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.983 42.322 29.890 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.806 45.015 30.614 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.798 42.821 30.445 1.00 0.00 C ATOM 728 CZ PHE A 45 37.709 44.168 30.815 1.00 0.00 C ATOM 0 H PHE A 45 43.632 40.898 29.431 1.00 0.00 H new ATOM 0 HA PHE A 45 42.780 43.489 30.439 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.673 43.283 28.279 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.154 41.652 28.652 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.824 45.181 29.880 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.054 41.278 29.623 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.743 46.054 30.902 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.952 42.166 30.588 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.800 44.552 31.253 1.00 0.00 H new ATOM 738 N ALA A 46 41.670 42.380 32.381 1.00 0.00 N ATOM 739 CA ALA A 46 41.299 41.828 33.668 1.00 0.00 C ATOM 740 C ALA A 46 42.256 40.744 34.168 1.00 0.00 C ATOM 741 O ALA A 46 41.852 39.701 34.677 1.00 0.00 O ATOM 742 CB ALA A 46 39.818 41.462 33.657 1.00 0.00 C ATOM 0 H ALA A 46 41.615 43.398 32.366 1.00 0.00 H new ATOM 0 HA ALA A 46 41.419 42.593 34.435 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.539 41.047 34.625 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.224 42.355 33.460 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.632 40.723 32.878 1.00 0.00 H new ATOM 748 N GLY A 47 43.556 40.971 34.001 1.00 0.00 N ATOM 749 CA GLY A 47 44.620 40.092 34.444 1.00 0.00 C ATOM 750 C GLY A 47 44.971 38.915 33.530 1.00 0.00 C ATOM 751 O GLY A 47 45.991 38.278 33.780 1.00 0.00 O ATOM 0 H GLY A 47 43.905 41.808 33.534 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.519 40.692 34.585 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.346 39.693 35.421 1.00 0.00 H new ATOM 755 N LYS A 48 44.213 38.653 32.469 1.00 0.00 N ATOM 756 CA LYS A 48 44.434 37.563 31.540 1.00 0.00 C ATOM 757 C LYS A 48 45.053 38.030 30.222 1.00 0.00 C ATOM 758 O LYS A 48 44.646 39.061 29.689 1.00 0.00 O ATOM 759 CB LYS A 48 43.130 36.828 31.243 1.00 0.00 C ATOM 760 CG LYS A 48 42.676 35.971 32.422 1.00 0.00 C ATOM 761 CD LYS A 48 41.440 35.144 32.081 1.00 0.00 C ATOM 762 CE LYS A 48 41.142 34.180 33.226 1.00 0.00 C ATOM 763 NZ LYS A 48 39.886 33.450 32.996 1.00 0.00 N ATOM 0 H LYS A 48 43.399 39.219 32.229 1.00 0.00 H new ATOM 0 HA LYS A 48 45.139 36.889 32.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.352 37.552 31.001 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.262 36.196 30.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.486 35.306 32.721 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.459 36.613 33.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.586 35.800 31.912 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.604 34.589 31.157 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.963 33.471 33.331 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.077 34.733 34.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.710 32.803 33.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.100 34.127 32.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.959 32.904 32.114 1.00 0.00 H new ATOM 777 N GLN A 49 45.964 37.238 29.663 1.00 0.00 N ATOM 778 CA GLN A 49 46.509 37.453 28.338 1.00 0.00 C ATOM 779 C GLN A 49 45.535 36.944 27.273 1.00 0.00 C ATOM 780 O GLN A 49 45.066 35.811 27.345 1.00 0.00 O ATOM 781 CB GLN A 49 47.886 36.807 28.229 1.00 0.00 C ATOM 782 CG GLN A 49 48.631 37.236 26.967 1.00 0.00 C ATOM 783 CD GLN A 49 49.922 36.436 26.787 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.895 36.603 27.520 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.987 35.527 25.818 1.00 0.00 N ATOM 0 H GLN A 49 46.347 36.417 30.131 1.00 0.00 H new ATOM 0 HA GLN A 49 46.638 38.521 28.164 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.479 37.071 29.105 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.777 35.722 28.233 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.989 37.096 26.097 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.864 38.299 27.023 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.187 35.379 25.203 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.837 34.978 25.690 1.00 0.00 H new ATOM 794 N LEU A 50 45.221 37.773 26.282 1.00 0.00 N ATOM 795 CA LEU A 50 44.135 37.555 25.348 1.00 0.00 C ATOM 796 C LEU A 50 44.570 36.683 24.169 1.00 0.00 C ATOM 797 O LEU A 50 45.622 36.919 23.579 1.00 0.00 O ATOM 798 CB LEU A 50 43.552 38.895 24.908 1.00 0.00 C ATOM 799 CG LEU A 50 43.204 39.856 26.040 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.577 41.127 25.474 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.249 39.251 27.066 1.00 0.00 C ATOM 0 H LEU A 50 45.733 38.638 26.107 1.00 0.00 H new ATOM 0 HA LEU A 50 43.344 36.999 25.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.266 39.383 24.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.652 38.707 24.323 1.00 0.00 H new ATOM 0 HG LEU A 50 44.140 40.080 26.551 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.332 41.807 26.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.282 41.611 24.798 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.668 40.873 24.929 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.040 39.984 27.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.318 38.969 26.574 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.706 38.368 27.512 1.00 0.00 H new ATOM 813 N GLU A 51 43.783 35.654 23.867 1.00 0.00 N ATOM 814 CA GLU A 51 44.094 34.607 22.915 1.00 0.00 C ATOM 815 C GLU A 51 43.868 35.036 21.463 1.00 0.00 C ATOM 816 O GLU A 51 42.801 35.529 21.103 1.00 0.00 O ATOM 817 CB GLU A 51 43.259 33.366 23.214 1.00 0.00 C ATOM 818 CG GLU A 51 43.639 32.672 24.519 1.00 0.00 C ATOM 819 CD GLU A 51 42.683 31.542 24.905 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.834 30.992 26.017 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.760 31.190 24.139 1.00 0.00 O ATOM 0 H GLU A 51 42.870 35.527 24.303 1.00 0.00 H new ATOM 0 HA GLU A 51 45.156 34.386 23.026 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.207 33.648 23.255 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.367 32.659 22.392 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.648 32.270 24.428 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.661 33.409 25.321 1.00 0.00 H new ATOM 828 N ASP A 52 44.845 34.767 20.603 1.00 0.00 N ATOM 829 CA ASP A 52 44.725 35.054 19.187 1.00 0.00 C ATOM 830 C ASP A 52 43.672 34.148 18.546 1.00 0.00 C ATOM 831 O ASP A 52 43.699 32.927 18.690 1.00 0.00 O ATOM 832 CB ASP A 52 46.077 34.957 18.486 1.00 0.00 C ATOM 833 CG ASP A 52 47.110 35.937 19.045 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.183 37.099 18.591 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.898 35.530 19.927 1.00 0.00 O ATOM 0 H ASP A 52 45.735 34.347 20.870 1.00 0.00 H new ATOM 0 HA ASP A 52 44.387 36.083 19.068 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.459 33.941 18.583 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.943 35.147 17.421 1.00 0.00 H new ATOM 840 N GLY A 53 42.727 34.757 17.836 1.00 0.00 N ATOM 841 CA GLY A 53 41.516 34.156 17.314 1.00 0.00 C ATOM 842 C GLY A 53 40.222 34.522 18.046 1.00 0.00 C ATOM 843 O GLY A 53 39.155 34.266 17.493 1.00 0.00 O ATOM 0 H GLY A 53 42.796 35.746 17.598 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.413 34.442 16.267 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.631 33.072 17.338 1.00 0.00 H new ATOM 847 N ARG A 54 40.278 35.134 19.225 1.00 0.00 N ATOM 848 CA ARG A 54 39.119 35.612 19.953 1.00 0.00 C ATOM 849 C ARG A 54 38.761 37.061 19.616 1.00 0.00 C ATOM 850 O ARG A 54 39.535 37.772 18.978 1.00 0.00 O ATOM 851 CB ARG A 54 39.301 35.370 21.448 1.00 0.00 C ATOM 852 CG ARG A 54 39.271 33.884 21.793 1.00 0.00 C ATOM 853 CD ARG A 54 39.193 33.659 23.300 1.00 0.00 C ATOM 854 NE ARG A 54 39.136 32.239 23.647 1.00 0.00 N ATOM 855 CZ ARG A 54 38.035 31.486 23.767 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.813 31.930 23.445 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.112 30.228 24.222 1.00 0.00 N ATOM 0 H ARG A 54 41.158 35.314 19.709 1.00 0.00 H new ATOM 0 HA ARG A 54 38.255 35.033 19.628 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.249 35.799 21.772 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.514 35.886 21.998 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.414 33.415 21.310 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.164 33.400 21.398 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.061 34.113 23.778 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.311 34.163 23.695 1.00 0.00 H new ATOM 0 HE ARG A 54 40.028 31.774 23.815 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.692 32.879 23.091 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.003 31.319 23.554 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.016 29.834 24.481 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.266 29.664 24.309 1.00 0.00 H new ATOM 871 N THR A 55 37.577 37.497 20.037 1.00 0.00 N ATOM 872 CA THR A 55 37.045 38.833 19.858 1.00 0.00 C ATOM 873 C THR A 55 36.888 39.582 21.183 1.00 0.00 C ATOM 874 O THR A 55 37.036 38.991 22.250 1.00 0.00 O ATOM 875 CB THR A 55 35.717 38.827 19.106 1.00 0.00 C ATOM 876 OG1 THR A 55 34.665 38.246 19.843 1.00 0.00 O ATOM 877 CG2 THR A 55 35.806 38.097 17.769 1.00 0.00 C ATOM 0 H THR A 55 36.931 36.888 20.540 1.00 0.00 H new ATOM 0 HA THR A 55 37.781 39.363 19.254 1.00 0.00 H new ATOM 0 HB THR A 55 35.500 39.882 18.940 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.978 37.417 20.262 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.835 38.122 17.275 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.547 38.585 17.136 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.100 37.061 17.939 1.00 0.00 H new ATOM 885 N LEU A 56 36.601 40.880 21.159 1.00 0.00 N ATOM 886 CA LEU A 56 36.370 41.644 22.368 1.00 0.00 C ATOM 887 C LEU A 56 35.149 41.144 23.143 1.00 0.00 C ATOM 888 O LEU A 56 35.167 41.121 24.372 1.00 0.00 O ATOM 889 CB LEU A 56 36.269 43.132 22.047 1.00 0.00 C ATOM 890 CG LEU A 56 37.521 43.801 21.488 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.242 45.281 21.242 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.722 43.740 22.427 1.00 0.00 C ATOM 0 H LEU A 56 36.523 41.425 20.301 1.00 0.00 H new ATOM 0 HA LEU A 56 37.228 41.496 23.024 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.460 43.271 21.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.981 43.657 22.958 1.00 0.00 H new ATOM 0 HG LEU A 56 37.761 43.255 20.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.137 45.758 20.843 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.426 45.383 20.527 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.964 45.760 22.181 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.574 44.236 21.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.478 44.242 23.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.974 42.699 22.628 1.00 0.00 H new ATOM 904 N SER A 57 34.129 40.654 22.446 1.00 0.00 N ATOM 905 CA SER A 57 32.973 39.999 23.023 1.00 0.00 C ATOM 906 C SER A 57 33.269 38.697 23.769 1.00 0.00 C ATOM 907 O SER A 57 32.514 38.363 24.680 1.00 0.00 O ATOM 908 CB SER A 57 31.948 39.696 21.935 1.00 0.00 C ATOM 909 OG SER A 57 31.323 40.884 21.498 1.00 0.00 O ATOM 0 H SER A 57 34.089 40.707 21.428 1.00 0.00 H new ATOM 0 HA SER A 57 32.595 40.706 23.761 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.437 39.205 21.094 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.198 39.003 22.317 1.00 0.00 H new ATOM 0 HG SER A 57 30.670 40.672 20.799 1.00 0.00 H new ATOM 915 N ASP A 58 34.343 37.980 23.450 1.00 0.00 N ATOM 916 CA ASP A 58 34.749 36.804 24.194 1.00 0.00 C ATOM 917 C ASP A 58 35.090 37.152 25.644 1.00 0.00 C ATOM 918 O ASP A 58 34.691 36.437 26.560 1.00 0.00 O ATOM 919 CB ASP A 58 35.954 36.117 23.559 1.00 0.00 C ATOM 920 CG ASP A 58 35.657 35.430 22.224 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.775 34.187 22.162 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.348 36.115 21.225 1.00 0.00 O ATOM 0 H ASP A 58 34.954 38.204 22.665 1.00 0.00 H new ATOM 0 HA ASP A 58 33.899 36.122 24.173 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.740 36.856 23.407 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.344 35.376 24.257 1.00 0.00 H new ATOM 927 N TYR A 59 35.774 38.271 25.860 1.00 0.00 N ATOM 928 CA TYR A 59 36.287 38.693 27.148 1.00 0.00 C ATOM 929 C TYR A 59 35.425 39.732 27.866 1.00 0.00 C ATOM 930 O TYR A 59 35.798 40.145 28.962 1.00 0.00 O ATOM 931 CB TYR A 59 37.731 39.156 26.977 1.00 0.00 C ATOM 932 CG TYR A 59 38.699 38.044 26.649 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.209 37.244 27.679 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.118 37.836 25.329 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.151 36.248 27.398 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.068 36.850 25.036 1.00 0.00 C ATOM 937 CZ TYR A 59 40.592 36.053 26.073 1.00 0.00 C ATOM 938 OH TYR A 59 41.543 35.117 25.796 1.00 0.00 O ATOM 0 H TYR A 59 35.991 38.929 25.112 1.00 0.00 H new ATOM 0 HA TYR A 59 36.251 37.829 27.812 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.770 39.903 26.185 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.055 39.647 27.895 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.874 37.396 28.694 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.706 38.439 24.533 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.539 35.630 28.194 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.398 36.701 24.019 1.00 0.00 H new ATOM 0 HH TYR A 59 41.128 34.230 25.761 1.00 0.00 H new ATOM 948 N ASN A 60 34.296 40.151 27.300 1.00 0.00 N ATOM 949 CA ASN A 60 33.450 41.205 27.820 1.00 0.00 C ATOM 950 C ASN A 60 34.223 42.499 28.089 1.00 0.00 C ATOM 951 O ASN A 60 34.194 43.055 29.184 1.00 0.00 O ATOM 952 CB ASN A 60 32.614 40.696 28.991 1.00 0.00 C ATOM 953 CG ASN A 60 31.475 41.642 29.378 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.187 42.647 28.734 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.756 41.339 30.455 1.00 0.00 N ATOM 0 H ASN A 60 33.938 39.746 26.435 1.00 0.00 H new ATOM 0 HA ASN A 60 32.735 41.491 27.049 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.197 39.722 28.734 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.263 40.547 29.854 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.979 41.938 30.735 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.982 40.508 31.001 1.00 0.00 H new ATOM 962 N ILE A 61 34.944 42.960 27.072 1.00 0.00 N ATOM 963 CA ILE A 61 35.600 44.253 27.051 1.00 0.00 C ATOM 964 C ILE A 61 34.570 45.303 26.628 1.00 0.00 C ATOM 965 O ILE A 61 33.769 45.052 25.731 1.00 0.00 O ATOM 966 CB ILE A 61 36.839 44.194 26.163 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.900 43.305 26.806 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.409 45.584 25.899 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.968 42.777 25.850 1.00 0.00 C ATOM 0 H ILE A 61 35.089 42.424 26.216 1.00 0.00 H new ATOM 0 HA ILE A 61 35.966 44.538 28.037 1.00 0.00 H new ATOM 0 HB ILE A 61 36.543 43.770 25.204 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.391 43.868 27.600 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.404 42.456 27.277 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.290 45.501 25.263 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.658 46.196 25.400 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.687 46.049 26.845 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.675 42.157 26.401 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.495 42.182 25.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.497 43.615 25.397 1.00 0.00 H new ATOM 981 N GLN A 62 34.564 46.455 27.292 1.00 0.00 N ATOM 982 CA GLN A 62 33.505 47.441 27.226 1.00 0.00 C ATOM 983 C GLN A 62 34.015 48.846 26.900 1.00 0.00 C ATOM 984 O GLN A 62 35.214 49.091 26.793 1.00 0.00 O ATOM 985 CB GLN A 62 32.730 47.425 28.541 1.00 0.00 C ATOM 986 CG GLN A 62 32.064 46.079 28.811 1.00 0.00 C ATOM 987 CD GLN A 62 31.037 46.111 29.945 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.643 47.153 30.463 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.550 44.947 30.365 1.00 0.00 N ATOM 0 H GLN A 62 35.326 46.732 27.911 1.00 0.00 H new ATOM 0 HA GLN A 62 32.844 47.171 26.402 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.408 47.662 29.361 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.969 48.205 28.520 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.573 45.738 27.899 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.834 45.346 29.052 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.871 44.077 29.941 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.855 44.924 31.111 1.00 0.00 H new ATOM 998 N LYS A 63 33.096 49.796 26.756 1.00 0.00 N ATOM 999 CA LYS A 63 33.415 51.190 26.526 1.00 0.00 C ATOM 1000 C LYS A 63 34.244 51.761 27.678 1.00 0.00 C ATOM 1001 O LYS A 63 33.912 51.580 28.849 1.00 0.00 O ATOM 1002 CB LYS A 63 32.118 51.959 26.281 1.00 0.00 C ATOM 1003 CG LYS A 63 32.338 53.461 26.128 1.00 0.00 C ATOM 1004 CD LYS A 63 31.102 54.203 25.627 1.00 0.00 C ATOM 1005 CE LYS A 63 29.829 53.947 26.428 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.928 54.380 27.830 1.00 0.00 N ATOM 0 H LYS A 63 32.094 49.610 26.798 1.00 0.00 H new ATOM 0 HA LYS A 63 34.038 51.291 25.638 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.638 51.574 25.382 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.433 51.780 27.110 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.638 53.877 27.090 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.162 53.632 25.435 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.310 55.273 25.636 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.923 53.922 24.589 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.998 54.467 25.952 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.598 52.882 26.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.033 54.179 28.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.701 53.866 28.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.120 55.402 27.865 1.00 0.00 H new ATOM 1020 N GLU A 64 35.318 52.463 27.329 1.00 0.00 N ATOM 1021 CA GLU A 64 36.322 53.030 28.206 1.00 0.00 C ATOM 1022 C GLU A 64 37.039 52.024 29.109 1.00 0.00 C ATOM 1023 O GLU A 64 37.680 52.418 30.081 1.00 0.00 O ATOM 1024 CB GLU A 64 35.810 54.281 28.916 1.00 0.00 C ATOM 1025 CG GLU A 64 35.400 55.384 27.944 1.00 0.00 C ATOM 1026 CD GLU A 64 35.055 56.690 28.661 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.988 57.457 28.985 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.854 56.981 28.850 1.00 0.00 O ATOM 0 H GLU A 64 35.519 52.662 26.349 1.00 0.00 H new ATOM 0 HA GLU A 64 37.131 53.362 27.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.956 54.016 29.540 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.586 54.659 29.582 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.211 55.563 27.238 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.539 55.052 27.364 1.00 0.00 H new ATOM 1035 N SER A 65 36.990 50.731 28.801 1.00 0.00 N ATOM 1036 CA SER A 65 37.870 49.745 29.394 1.00 0.00 C ATOM 1037 C SER A 65 39.337 50.013 29.048 1.00 0.00 C ATOM 1038 O SER A 65 39.648 50.559 27.992 1.00 0.00 O ATOM 1039 CB SER A 65 37.501 48.330 28.956 1.00 0.00 C ATOM 1040 OG SER A 65 36.276 47.906 29.508 1.00 0.00 O ATOM 0 H SER A 65 36.331 50.341 28.127 1.00 0.00 H new ATOM 0 HA SER A 65 37.742 49.828 30.473 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.440 48.292 27.868 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.291 47.641 29.255 1.00 0.00 H new ATOM 0 HG SER A 65 36.345 46.965 29.773 1.00 0.00 H new ATOM 1046 N THR A 66 40.245 49.600 29.927 1.00 0.00 N ATOM 1047 CA THR A 66 41.678 49.712 29.743 1.00 0.00 C ATOM 1048 C THR A 66 42.304 48.330 29.542 1.00 0.00 C ATOM 1049 O THR A 66 42.126 47.434 30.364 1.00 0.00 O ATOM 1050 CB THR A 66 42.315 50.448 30.918 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.006 51.823 30.851 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.840 50.407 30.930 1.00 0.00 C ATOM 0 H THR A 66 39.990 49.165 30.814 1.00 0.00 H new ATOM 0 HA THR A 66 41.869 50.297 28.843 1.00 0.00 H new ATOM 0 HB THR A 66 41.920 49.942 31.799 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.417 52.288 31.609 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.212 50.953 31.797 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.176 49.371 30.982 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.224 50.867 30.019 1.00 0.00 H new ATOM 1060 N LEU A 67 43.075 48.186 28.468 1.00 0.00 N ATOM 1061 CA LEU A 67 43.903 47.039 28.156 1.00 0.00 C ATOM 1062 C LEU A 67 45.370 47.362 28.449 1.00 0.00 C ATOM 1063 O LEU A 67 45.817 48.491 28.264 1.00 0.00 O ATOM 1064 CB LEU A 67 43.720 46.627 26.699 1.00 0.00 C ATOM 1065 CG LEU A 67 42.556 45.679 26.426 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.185 46.261 26.763 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.548 45.289 24.951 1.00 0.00 C ATOM 0 H LEU A 67 43.138 48.912 27.755 1.00 0.00 H new ATOM 0 HA LEU A 67 43.598 46.201 28.783 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.581 47.527 26.100 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.640 46.154 26.355 1.00 0.00 H new ATOM 0 HG LEU A 67 42.717 44.820 27.078 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.413 45.525 26.540 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.148 46.516 27.822 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.014 47.158 26.167 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.716 44.612 24.758 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.437 46.184 24.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.485 44.792 24.701 1.00 0.00 H new ATOM 1079 N HIS A 68 46.139 46.356 28.856 1.00 0.00 N ATOM 1080 CA HIS A 68 47.569 46.468 29.061 1.00 0.00 C ATOM 1081 C HIS A 68 48.312 45.804 27.900 1.00 0.00 C ATOM 1082 O HIS A 68 47.925 44.727 27.453 1.00 0.00 O ATOM 1083 CB HIS A 68 47.948 45.909 30.429 1.00 0.00 C ATOM 1084 CG HIS A 68 47.379 46.694 31.580 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.089 47.586 32.382 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.076 46.659 32.005 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.210 48.078 33.258 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.993 47.544 33.061 1.00 0.00 N ATOM 0 H HIS A 68 45.773 45.425 29.055 1.00 0.00 H new ATOM 0 HA HIS A 68 47.871 47.515 29.065 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.604 44.877 30.499 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.034 45.889 30.516 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.276 46.060 31.596 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.445 48.806 34.021 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.153 47.756 33.599 1.00 0.00 H new ATOM 1096 N LEU A 69 49.365 46.448 27.406 1.00 0.00 N ATOM 1097 CA LEU A 69 50.174 46.013 26.285 1.00 0.00 C ATOM 1098 C LEU A 69 51.607 45.738 26.745 1.00 0.00 C ATOM 1099 O LEU A 69 52.260 46.629 27.284 1.00 0.00 O ATOM 1100 CB LEU A 69 50.086 47.080 25.195 1.00 0.00 C ATOM 1101 CG LEU A 69 51.094 46.987 24.054 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.013 45.692 23.250 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.864 48.142 23.085 1.00 0.00 C ATOM 0 H LEU A 69 49.689 47.331 27.800 1.00 0.00 H new ATOM 0 HA LEU A 69 49.806 45.074 25.871 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.084 47.045 24.766 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.197 48.056 25.667 1.00 0.00 H new ATOM 0 HG LEU A 69 52.077 47.021 24.525 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.763 45.707 22.459 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.197 44.843 23.908 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.021 45.600 22.808 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.582 48.080 22.268 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.852 48.084 22.684 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.993 49.089 23.610 1.00 0.00 H new ATOM 1115 N VAL A 70 52.109 44.530 26.510 1.00 0.00 N ATOM 1116 CA VAL A 70 53.452 44.109 26.853 1.00 0.00 C ATOM 1117 C VAL A 70 54.223 43.736 25.585 1.00 0.00 C ATOM 1118 O VAL A 70 53.710 43.023 24.728 1.00 0.00 O ATOM 1119 CB VAL A 70 53.444 42.981 27.882 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.858 42.606 28.315 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.663 43.360 29.136 1.00 0.00 C ATOM 0 H VAL A 70 51.567 43.794 26.058 1.00 0.00 H new ATOM 0 HA VAL A 70 53.969 44.944 27.326 1.00 0.00 H new ATOM 0 HB VAL A 70 52.965 42.135 27.389 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.813 41.800 29.048 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.429 42.276 27.447 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.344 43.474 28.760 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.683 42.529 29.842 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.117 44.238 29.596 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.631 43.584 28.868 1.00 0.00 H new ATOM 1131 N LEU A 71 55.451 44.236 25.472 1.00 0.00 N ATOM 1132 CA LEU A 71 56.304 44.093 24.310 1.00 0.00 C ATOM 1133 C LEU A 71 57.179 42.842 24.410 1.00 0.00 C ATOM 1134 O LEU A 71 57.826 42.608 25.429 1.00 0.00 O ATOM 1135 CB LEU A 71 57.159 45.344 24.133 1.00 0.00 C ATOM 1136 CG LEU A 71 56.493 46.616 23.615 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.906 46.428 22.220 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.412 47.213 24.512 1.00 0.00 C ATOM 0 H LEU A 71 55.890 44.772 26.221 1.00 0.00 H new ATOM 0 HA LEU A 71 55.669 43.975 23.432 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.610 45.576 25.098 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.973 45.095 23.452 1.00 0.00 H new ATOM 0 HG LEU A 71 57.319 47.327 23.599 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.442 47.358 21.892 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.700 46.153 21.525 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.156 45.638 22.244 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.008 48.112 24.046 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.612 46.486 24.651 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.843 47.468 25.480 1.00 0.00 H new ATOM 1150 N ARG A 72 57.212 42.043 23.349 1.00 0.00 N ATOM 1151 CA ARG A 72 57.915 40.776 23.306 1.00 0.00 C ATOM 1152 C ARG A 72 59.409 40.887 22.995 1.00 0.00 C ATOM 1153 O ARG A 72 60.176 40.063 23.487 1.00 0.00 O ATOM 1154 CB ARG A 72 57.244 39.823 22.319 1.00 0.00 C ATOM 1155 CG ARG A 72 55.791 39.525 22.679 1.00 0.00 C ATOM 1156 CD ARG A 72 55.146 38.519 21.730 1.00 0.00 C ATOM 1157 NE ARG A 72 55.378 37.141 22.162 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.453 36.204 22.410 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.149 36.370 22.153 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.831 35.047 22.971 1.00 0.00 N ATOM 0 H ARG A 72 56.737 42.269 22.475 1.00 0.00 H new ATOM 0 HA ARG A 72 57.851 40.378 24.319 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.284 40.255 21.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.804 38.889 22.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.745 39.140 23.698 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.219 40.453 22.663 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.074 38.707 21.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.546 38.658 20.726 1.00 0.00 H new ATOM 0 HE ARG A 72 56.351 36.863 22.288 1.00 0.00 H new ATOM 0 HH11 ARG A 72 52.816 37.245 21.748 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.489 35.621 22.363 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.812 34.889 23.203 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.138 34.324 23.166 1.00 0.00 H new ATOM 1174 N LEU A 73 59.829 41.876 22.212 1.00 0.00 N ATOM 1175 CA LEU A 73 61.176 42.014 21.698 1.00 0.00 C ATOM 1176 C LEU A 73 61.701 43.437 21.902 1.00 0.00 C ATOM 1177 O LEU A 73 61.620 44.283 21.014 1.00 0.00 O ATOM 1178 CB LEU A 73 61.185 41.560 20.240 1.00 0.00 C ATOM 1179 CG LEU A 73 62.551 41.548 19.560 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.545 40.615 20.245 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.393 41.104 18.109 1.00 0.00 C ATOM 0 H LEU A 73 59.212 42.630 21.910 1.00 0.00 H new ATOM 0 HA LEU A 73 61.865 41.377 22.252 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.765 40.555 20.189 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.522 42.212 19.671 1.00 0.00 H new ATOM 0 HG LEU A 73 62.945 42.562 19.624 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.498 40.648 19.717 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.690 40.933 21.277 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.157 39.596 20.230 1.00 0.00 H new ATOM 0 HD21 LEU A 73 63.369 41.095 17.623 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.964 40.102 18.080 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.733 41.797 17.586 1.00 0.00 H new ATOM 1193 N ARG A 74 62.217 43.705 23.098 1.00 0.00 N ATOM 1194 CA ARG A 74 62.902 44.920 23.490 1.00 0.00 C ATOM 1195 C ARG A 74 64.164 44.591 24.291 1.00 0.00 C ATOM 1196 O ARG A 74 64.458 45.243 25.291 1.00 0.00 O ATOM 1197 CB ARG A 74 61.955 45.860 24.229 1.00 0.00 C ATOM 1198 CG ARG A 74 60.761 46.387 23.441 1.00 0.00 C ATOM 1199 CD ARG A 74 61.139 47.320 22.293 1.00 0.00 C ATOM 1200 NE ARG A 74 59.959 47.793 21.569 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.113 48.754 21.960 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.280 49.478 23.075 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.011 49.017 21.244 1.00 0.00 N ATOM 0 H ARG A 74 62.161 43.033 23.863 1.00 0.00 H new ATOM 0 HA ARG A 74 63.228 45.451 22.596 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.579 45.340 25.110 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.532 46.714 24.585 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.202 45.542 23.040 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.094 46.916 24.122 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.692 48.174 22.685 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.804 46.799 21.604 1.00 0.00 H new ATOM 0 HE ARG A 74 59.761 47.345 20.675 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.086 49.309 23.677 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.601 50.198 23.322 1.00 0.00 H new ATOM 0 HH21 ARG A 74 57.814 48.484 20.397 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.369 49.750 21.546 1.00 0.00 H new ATOM 1217 N GLY A 75 64.879 43.541 23.898 1.00 0.00 N ATOM 1218 CA GLY A 75 66.039 43.008 24.584 1.00 0.00 C ATOM 1219 C GLY A 75 66.168 41.485 24.506 1.00 0.00 C ATOM 1220 O GLY A 75 65.454 40.812 23.768 1.00 0.00 O ATOM 0 H GLY A 75 64.650 43.018 23.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.937 43.460 24.162 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.996 43.305 25.632 1.00 0.00 H new ATOM 1224 N GLY A 76 67.082 40.950 25.311 1.00 0.00 N ATOM 1225 CA GLY A 76 67.429 39.548 25.431 1.00 0.00 C ATOM 1226 C GLY A 76 68.044 38.943 24.167 1.00 0.00 C ATOM 1227 O GLY A 76 67.562 37.879 23.721 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.022 39.528 23.652 1.00 0.00 O ATOM 0 H GLY A 76 67.636 41.532 25.939 1.00 0.00 H new ATOM 0 HA2 GLY A 76 68.131 39.429 26.256 1.00 0.00 H new ATOM 0 HA3 GLY A 76 66.533 38.985 25.691 1.00 0.00 H new TER 1232 GLY A 76