USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 Single : A 1 MET CE :methyl -162:sc= -0.344 (180deg=-0.825) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0184 (180deg=-0.0111) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -38:sc= 0.00598 USER MOD Single : A 15 TYR OH : rot 26:sc= 0.807 USER MOD Single : A 16 SER OG : rot 176:sc= 1.19 USER MOD Single : A 20 SER OG : rot 68:sc= 0.583 USER MOD Single : A 21 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.061) USER MOD Single : A 29 SER OG : rot 83:sc= 1.26 USER MOD Single : A 30 MET CE :methyl -157:sc= -1.72 (180deg=-2.8) USER MOD Single : A 51 GLN : amide:sc= -1.91! C(o=-1.9!,f=-7.2!) USER MOD Single : A 54 THR OG1 : rot -67:sc= 0.668 USER MOD Single : A 56 GLN : amide:sc= 0.672 K(o=0.67,f=-0.067) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.54 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.122 -6.774 -20.584 1.00 0.00 N ATOM 2 CA MET A 1 4.163 -7.060 -19.575 1.00 0.00 C ATOM 3 C MET A 1 3.588 -7.890 -18.437 1.00 0.00 C ATOM 4 O MET A 1 2.453 -7.674 -18.017 1.00 0.00 O ATOM 5 CB MET A 1 4.750 -5.757 -19.018 1.00 0.00 C ATOM 6 CG MET A 1 3.739 -4.877 -18.294 1.00 0.00 C ATOM 7 SD MET A 1 4.493 -3.422 -17.528 1.00 0.00 S ATOM 8 CE MET A 1 5.632 -4.187 -16.381 1.00 0.00 C ATOM 0 H1 MET A 1 3.305 -5.847 -21.019 1.00 0.00 H new ATOM 0 H2 MET A 1 3.138 -7.510 -21.318 1.00 0.00 H new ATOM 0 H3 MET A 1 2.188 -6.763 -20.126 1.00 0.00 H new ATOM 0 HA MET A 1 4.958 -7.625 -20.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.560 -6.001 -18.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.188 -5.189 -19.839 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.974 -4.554 -19.000 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.236 -5.466 -17.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.931 -3.460 -15.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.147 -5.035 -15.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.514 -4.533 -16.920 1.00 0.00 H new ATOM 17 N SER A 2 4.366 -8.834 -17.941 1.00 0.00 N ATOM 18 CA SER A 2 3.971 -9.621 -16.790 1.00 0.00 C ATOM 19 C SER A 2 4.944 -9.344 -15.651 1.00 0.00 C ATOM 20 O SER A 2 5.900 -10.094 -15.443 1.00 0.00 O ATOM 21 CB SER A 2 3.957 -11.107 -17.149 1.00 0.00 C ATOM 22 OG SER A 2 3.298 -11.319 -18.390 1.00 0.00 O ATOM 0 H SER A 2 5.281 -9.075 -18.321 1.00 0.00 H new ATOM 0 HA SER A 2 2.964 -9.345 -16.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.979 -11.482 -17.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.454 -11.671 -16.364 1.00 0.00 H new ATOM 0 HG SER A 2 3.301 -12.276 -18.603 1.00 0.00 H new ATOM 28 N ALA A 3 4.713 -8.228 -14.954 1.00 0.00 N ATOM 29 CA ALA A 3 5.651 -7.707 -13.956 1.00 0.00 C ATOM 30 C ALA A 3 6.956 -7.278 -14.629 1.00 0.00 C ATOM 31 O ALA A 3 7.119 -7.428 -15.841 1.00 0.00 O ATOM 32 CB ALA A 3 5.917 -8.727 -12.850 1.00 0.00 C ATOM 0 H ALA A 3 3.872 -7.661 -15.065 1.00 0.00 H new ATOM 0 HA ALA A 3 5.196 -6.834 -13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.617 -8.306 -12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.981 -8.972 -12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.343 -9.631 -13.284 1.00 0.00 H new ATOM 38 N LEU A 4 7.876 -6.726 -13.857 1.00 0.00 N ATOM 39 CA LEU A 4 9.150 -6.289 -14.403 1.00 0.00 C ATOM 40 C LEU A 4 10.262 -6.483 -13.385 1.00 0.00 C ATOM 41 O LEU A 4 10.426 -5.672 -12.476 1.00 0.00 O ATOM 42 CB LEU A 4 9.075 -4.824 -14.831 1.00 0.00 C ATOM 43 CG LEU A 4 10.354 -4.257 -15.450 1.00 0.00 C ATOM 44 CD1 LEU A 4 10.693 -4.986 -16.741 1.00 0.00 C ATOM 45 CD2 LEU A 4 10.208 -2.765 -15.703 1.00 0.00 C ATOM 0 H LEU A 4 7.766 -6.570 -12.855 1.00 0.00 H new ATOM 0 HA LEU A 4 9.372 -6.897 -15.280 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.263 -4.714 -15.550 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.814 -4.221 -13.961 1.00 0.00 H new ATOM 0 HG LEU A 4 11.172 -4.409 -14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.606 -4.568 -17.166 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.842 -6.045 -16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.875 -4.868 -17.451 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.127 -2.379 -16.143 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.377 -2.592 -16.387 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.015 -2.253 -14.760 1.00 0.00 H new ATOM 57 N GLN A 5 10.999 -7.580 -13.547 1.00 0.00 N ATOM 58 CA GLN A 5 12.130 -7.906 -12.681 1.00 0.00 C ATOM 59 C GLN A 5 11.723 -7.889 -11.205 1.00 0.00 C ATOM 60 O GLN A 5 12.098 -6.984 -10.458 1.00 0.00 O ATOM 61 CB GLN A 5 13.294 -6.938 -12.929 1.00 0.00 C ATOM 62 CG GLN A 5 13.863 -7.017 -14.338 1.00 0.00 C ATOM 63 CD GLN A 5 14.879 -5.927 -14.622 1.00 0.00 C ATOM 64 OE1 GLN A 5 15.573 -5.450 -13.723 1.00 0.00 O ATOM 65 NE2 GLN A 5 14.988 -5.537 -15.882 1.00 0.00 N ATOM 0 H GLN A 5 10.829 -8.267 -14.281 1.00 0.00 H new ATOM 0 HA GLN A 5 12.458 -8.916 -12.926 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.955 -5.919 -12.740 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.089 -7.148 -12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.331 -7.991 -14.482 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.048 -6.945 -15.059 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.395 -5.956 -16.599 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.665 -4.818 -16.136 1.00 0.00 H new ATOM 74 N PRO A 6 10.951 -8.891 -10.762 1.00 0.00 N ATOM 75 CA PRO A 6 10.466 -8.954 -9.388 1.00 0.00 C ATOM 76 C PRO A 6 11.560 -9.374 -8.413 1.00 0.00 C ATOM 77 O PRO A 6 12.098 -10.477 -8.499 1.00 0.00 O ATOM 78 CB PRO A 6 9.359 -10.018 -9.427 1.00 0.00 C ATOM 79 CG PRO A 6 9.217 -10.424 -10.861 1.00 0.00 C ATOM 80 CD PRO A 6 10.497 -10.041 -11.548 1.00 0.00 C ATOM 0 HA PRO A 6 10.119 -7.980 -9.043 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.620 -10.874 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.421 -9.618 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.039 -11.496 -10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.366 -9.923 -11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.223 -10.854 -11.534 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.333 -9.778 -12.593 1.00 0.00 H new ATOM 88 N SER A 7 11.886 -8.487 -7.492 1.00 0.00 N ATOM 89 CA SER A 7 12.900 -8.764 -6.488 1.00 0.00 C ATOM 90 C SER A 7 12.242 -9.301 -5.221 1.00 0.00 C ATOM 91 O SER A 7 12.654 -10.319 -4.673 1.00 0.00 O ATOM 92 CB SER A 7 13.700 -7.490 -6.188 1.00 0.00 C ATOM 93 OG SER A 7 14.741 -7.734 -5.258 1.00 0.00 O ATOM 0 H SER A 7 11.461 -7.563 -7.417 1.00 0.00 H new ATOM 0 HA SER A 7 13.587 -9.521 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.123 -7.099 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.032 -6.724 -5.794 1.00 0.00 H new ATOM 0 HG SER A 7 15.232 -6.902 -5.090 1.00 0.00 H new ATOM 99 N ARG A 8 11.208 -8.610 -4.770 1.00 0.00 N ATOM 100 CA ARG A 8 10.479 -8.993 -3.573 1.00 0.00 C ATOM 101 C ARG A 8 9.006 -8.658 -3.720 1.00 0.00 C ATOM 102 O ARG A 8 8.625 -7.824 -4.544 1.00 0.00 O ATOM 103 CB ARG A 8 11.037 -8.263 -2.350 1.00 0.00 C ATOM 104 CG ARG A 8 12.253 -8.921 -1.722 1.00 0.00 C ATOM 105 CD ARG A 8 12.860 -8.030 -0.651 1.00 0.00 C ATOM 106 NE ARG A 8 13.846 -8.729 0.169 1.00 0.00 N ATOM 107 CZ ARG A 8 14.984 -8.181 0.586 1.00 0.00 C ATOM 108 NH1 ARG A 8 15.353 -6.986 0.139 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.768 -8.832 1.432 1.00 0.00 N ATOM 0 H ARG A 8 10.851 -7.769 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 8 10.595 -10.068 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.299 -7.245 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.252 -8.188 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.969 -9.878 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.996 -9.130 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.332 -7.169 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.066 -7.646 -0.010 1.00 0.00 H new ATOM 0 HE ARG A 8 13.651 -9.693 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.763 -6.486 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.226 -6.568 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.500 -9.758 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.640 -8.408 1.749 1.00 0.00 H new ATOM 123 N SER A 9 8.186 -9.307 -2.921 1.00 0.00 N ATOM 124 CA SER A 9 6.772 -8.993 -2.864 1.00 0.00 C ATOM 125 C SER A 9 6.393 -8.584 -1.446 1.00 0.00 C ATOM 126 O SER A 9 6.796 -9.225 -0.470 1.00 0.00 O ATOM 127 CB SER A 9 5.935 -10.183 -3.334 1.00 0.00 C ATOM 128 OG SER A 9 6.220 -10.500 -4.686 1.00 0.00 O ATOM 0 H SER A 9 8.476 -10.060 -2.298 1.00 0.00 H new ATOM 0 HA SER A 9 6.566 -8.159 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.139 -11.048 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.875 -9.952 -3.226 1.00 0.00 H new ATOM 0 HG SER A 9 5.675 -11.265 -4.965 1.00 0.00 H new ATOM 134 N TYR A 10 5.643 -7.503 -1.337 1.00 0.00 N ATOM 135 CA TYR A 10 5.251 -6.968 -0.045 1.00 0.00 C ATOM 136 C TYR A 10 3.742 -7.088 0.123 1.00 0.00 C ATOM 137 O TYR A 10 2.986 -6.682 -0.758 1.00 0.00 O ATOM 138 CB TYR A 10 5.658 -5.493 0.073 1.00 0.00 C ATOM 139 CG TYR A 10 7.142 -5.227 -0.097 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.728 -5.182 -1.359 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.956 -5.011 1.007 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.078 -4.928 -1.512 1.00 0.00 C ATOM 143 CE2 TYR A 10 9.308 -4.759 0.861 1.00 0.00 C ATOM 144 CZ TYR A 10 9.864 -4.718 -0.400 1.00 0.00 C ATOM 145 OH TYR A 10 11.208 -4.458 -0.550 1.00 0.00 O ATOM 0 H TYR A 10 5.290 -6.974 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 10 5.757 -7.538 0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.112 -4.919 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.346 -5.122 1.049 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.117 -5.348 -2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.526 -5.040 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.515 -4.894 -2.499 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.926 -4.595 1.731 1.00 0.00 H new ATOM 0 HH TYR A 10 11.617 -4.333 0.332 1.00 0.00 H new ATOM 155 N ARG A 11 3.305 -7.648 1.237 1.00 0.00 N ATOM 156 CA ARG A 11 1.880 -7.785 1.502 1.00 0.00 C ATOM 157 C ARG A 11 1.363 -6.592 2.288 1.00 0.00 C ATOM 158 O ARG A 11 2.122 -5.904 2.966 1.00 0.00 O ATOM 159 CB ARG A 11 1.584 -9.051 2.302 1.00 0.00 C ATOM 160 CG ARG A 11 1.966 -10.340 1.604 1.00 0.00 C ATOM 161 CD ARG A 11 1.532 -11.538 2.428 1.00 0.00 C ATOM 162 NE ARG A 11 1.984 -12.800 1.856 1.00 0.00 N ATOM 163 CZ ARG A 11 2.280 -13.869 2.587 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.145 -13.833 3.908 1.00 0.00 N ATOM 165 NH2 ARG A 11 2.703 -14.978 2.001 1.00 0.00 N ATOM 0 H ARG A 11 3.911 -8.014 1.971 1.00 0.00 H new ATOM 0 HA ARG A 11 1.380 -7.841 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.114 -8.997 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.519 -9.079 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.500 -10.380 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.044 -10.370 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.924 -11.440 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.445 -11.547 2.507 1.00 0.00 H new ATOM 0 HE ARG A 11 2.078 -12.866 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.813 -12.983 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.373 -14.655 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.802 -15.013 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.930 -15.798 2.564 1.00 0.00 H new ATOM 179 N ILE A 12 0.068 -6.362 2.205 1.00 0.00 N ATOM 180 CA ILE A 12 -0.573 -5.339 3.006 1.00 0.00 C ATOM 181 C ILE A 12 -1.154 -5.985 4.254 1.00 0.00 C ATOM 182 O ILE A 12 -2.174 -6.669 4.186 1.00 0.00 O ATOM 183 CB ILE A 12 -1.696 -4.626 2.223 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.170 -4.116 0.877 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.263 -3.476 3.043 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.230 -3.471 0.007 1.00 0.00 C ATOM 0 H ILE A 12 -0.564 -6.872 1.588 1.00 0.00 H new ATOM 0 HA ILE A 12 0.173 -4.591 3.274 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.495 -5.343 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.375 -3.393 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.725 -4.949 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.054 -2.982 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.670 -3.862 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.471 -2.759 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.780 -3.136 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.015 -4.196 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.659 -2.616 0.530 1.00 0.00 H new ATOM 198 N THR A 13 -0.499 -5.785 5.386 1.00 0.00 N ATOM 199 CA THR A 13 -0.916 -6.434 6.617 1.00 0.00 C ATOM 200 C THR A 13 -2.062 -5.663 7.264 1.00 0.00 C ATOM 201 O THR A 13 -2.748 -6.169 8.152 1.00 0.00 O ATOM 202 CB THR A 13 0.261 -6.582 7.613 1.00 0.00 C ATOM 203 OG1 THR A 13 -0.026 -7.615 8.567 1.00 0.00 O ATOM 204 CG2 THR A 13 0.543 -5.273 8.345 1.00 0.00 C ATOM 0 H THR A 13 0.319 -5.182 5.478 1.00 0.00 H new ATOM 0 HA THR A 13 -1.261 -7.435 6.360 1.00 0.00 H new ATOM 0 HB THR A 13 1.148 -6.849 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.977 -7.587 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.375 -5.414 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.799 -4.499 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.343 -4.969 8.902 1.00 0.00 H new ATOM 212 N GLY A 14 -2.270 -4.437 6.804 1.00 0.00 N ATOM 213 CA GLY A 14 -3.335 -3.620 7.330 1.00 0.00 C ATOM 214 C GLY A 14 -3.091 -2.153 7.094 1.00 0.00 C ATOM 215 O GLY A 14 -2.248 -1.782 6.277 1.00 0.00 O ATOM 0 H GLY A 14 -1.714 -3.995 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.277 -3.910 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.437 -3.803 8.400 1.00 0.00 H new ATOM 219 N TYR A 15 -3.816 -1.321 7.812 1.00 0.00 N ATOM 220 CA TYR A 15 -3.679 0.117 7.680 1.00 0.00 C ATOM 221 C TYR A 15 -2.770 0.655 8.774 1.00 0.00 C ATOM 222 O TYR A 15 -2.651 0.052 9.843 1.00 0.00 O ATOM 223 CB TYR A 15 -5.051 0.791 7.751 1.00 0.00 C ATOM 224 CG TYR A 15 -6.045 0.241 6.748 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.116 0.753 5.460 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.905 -0.798 7.087 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.014 0.248 4.539 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.803 -1.308 6.169 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.852 -0.782 4.897 1.00 0.00 C ATOM 230 OH TYR A 15 -8.744 -1.287 3.981 1.00 0.00 O ATOM 0 H TYR A 15 -4.511 -1.617 8.498 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.234 0.340 6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.455 0.670 8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.931 1.861 7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.458 1.560 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.870 -1.213 8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.058 0.661 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.464 -2.116 6.448 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.407 -1.128 3.075 1.00 0.00 H new ATOM 240 N SER A 16 -2.122 1.773 8.503 1.00 0.00 N ATOM 241 CA SER A 16 -1.219 2.387 9.454 1.00 0.00 C ATOM 242 C SER A 16 -1.995 3.066 10.581 1.00 0.00 C ATOM 243 O SER A 16 -3.192 3.319 10.452 1.00 0.00 O ATOM 244 CB SER A 16 -0.355 3.408 8.724 1.00 0.00 C ATOM 245 OG SER A 16 -1.153 4.437 8.169 1.00 0.00 O ATOM 0 H SER A 16 -2.207 2.278 7.621 1.00 0.00 H new ATOM 0 HA SER A 16 -0.589 1.616 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.371 3.837 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.210 2.914 7.934 1.00 0.00 H new ATOM 0 HG SER A 16 -0.575 5.118 7.767 1.00 0.00 H new ATOM 251 N PRO A 17 -1.334 3.357 11.710 1.00 0.00 N ATOM 252 CA PRO A 17 -1.944 4.108 12.810 1.00 0.00 C ATOM 253 C PRO A 17 -2.140 5.583 12.460 1.00 0.00 C ATOM 254 O PRO A 17 -2.848 6.312 13.156 1.00 0.00 O ATOM 255 CB PRO A 17 -0.937 3.964 13.963 1.00 0.00 C ATOM 256 CG PRO A 17 0.024 2.906 13.530 1.00 0.00 C ATOM 257 CD PRO A 17 0.040 2.947 12.031 1.00 0.00 C ATOM 0 HA PRO A 17 -2.937 3.730 13.052 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.423 4.906 14.154 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.439 3.682 14.888 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.018 3.093 13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.288 1.925 13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.775 3.658 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.285 1.976 11.601 1.00 0.00 H new ATOM 265 N ALA A 18 -1.516 6.014 11.370 1.00 0.00 N ATOM 266 CA ALA A 18 -1.586 7.407 10.946 1.00 0.00 C ATOM 267 C ALA A 18 -2.775 7.658 10.025 1.00 0.00 C ATOM 268 O ALA A 18 -3.001 8.787 9.585 1.00 0.00 O ATOM 269 CB ALA A 18 -0.296 7.813 10.255 1.00 0.00 C ATOM 0 H ALA A 18 -0.955 5.417 10.763 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.723 8.016 11.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.362 8.856 9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.540 7.693 10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.138 7.183 9.380 1.00 0.00 H new ATOM 275 N ILE A 19 -3.534 6.608 9.736 1.00 0.00 N ATOM 276 CA ILE A 19 -4.700 6.732 8.874 1.00 0.00 C ATOM 277 C ILE A 19 -5.758 7.609 9.547 1.00 0.00 C ATOM 278 O ILE A 19 -6.160 7.358 10.685 1.00 0.00 O ATOM 279 CB ILE A 19 -5.282 5.346 8.502 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.370 5.488 7.441 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.825 4.623 9.730 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.871 4.160 6.920 1.00 0.00 C ATOM 0 H ILE A 19 -3.363 5.665 10.085 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.388 7.209 7.945 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.471 4.744 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.207 6.045 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.982 6.075 6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.226 3.654 9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.021 4.478 10.452 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.616 5.220 10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.643 4.331 6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.044 3.610 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.288 3.580 7.743 1.00 0.00 H new ATOM 294 N SER A 20 -6.185 8.656 8.857 1.00 0.00 N ATOM 295 CA SER A 20 -7.070 9.641 9.465 1.00 0.00 C ATOM 296 C SER A 20 -8.171 10.086 8.505 1.00 0.00 C ATOM 297 O SER A 20 -8.062 9.899 7.293 1.00 0.00 O ATOM 298 CB SER A 20 -6.252 10.860 9.909 1.00 0.00 C ATOM 299 OG SER A 20 -5.117 10.461 10.663 1.00 0.00 O ATOM 0 H SER A 20 -5.937 8.846 7.886 1.00 0.00 H new ATOM 0 HA SER A 20 -7.548 9.174 10.326 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.932 11.426 9.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.876 11.524 10.507 1.00 0.00 H new ATOM 0 HG SER A 20 -4.490 9.983 10.081 1.00 0.00 H new ATOM 305 N ASN A 21 -9.247 10.630 9.076 1.00 0.00 N ATOM 306 CA ASN A 21 -10.293 11.335 8.323 1.00 0.00 C ATOM 307 C ASN A 21 -10.978 10.441 7.285 1.00 0.00 C ATOM 308 O ASN A 21 -11.264 10.875 6.166 1.00 0.00 O ATOM 309 CB ASN A 21 -9.702 12.588 7.650 1.00 0.00 C ATOM 310 CG ASN A 21 -10.772 13.565 7.192 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.844 13.656 7.791 1.00 0.00 O ATOM 312 ND2 ASN A 21 -10.489 14.307 6.134 1.00 0.00 N ATOM 0 H ASN A 21 -9.421 10.595 10.080 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.062 11.631 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.032 13.090 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.100 12.286 6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.170 14.983 5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.590 14.203 5.664 1.00 0.00 H new ATOM 319 N GLY A 22 -11.253 9.193 7.656 1.00 0.00 N ATOM 320 CA GLY A 22 -12.000 8.309 6.779 1.00 0.00 C ATOM 321 C GLY A 22 -11.213 7.885 5.557 1.00 0.00 C ATOM 322 O GLY A 22 -11.795 7.476 4.551 1.00 0.00 O ATOM 0 H GLY A 22 -10.973 8.780 8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.301 7.422 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.914 8.810 6.460 1.00 0.00 H new ATOM 326 N TYR A 23 -9.889 7.963 5.642 1.00 0.00 N ATOM 327 CA TYR A 23 -9.033 7.578 4.530 1.00 0.00 C ATOM 328 C TYR A 23 -9.134 6.083 4.245 1.00 0.00 C ATOM 329 O TYR A 23 -8.867 5.648 3.129 1.00 0.00 O ATOM 330 CB TYR A 23 -7.583 7.971 4.794 1.00 0.00 C ATOM 331 CG TYR A 23 -7.148 9.204 4.032 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.211 9.238 2.644 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.670 10.329 4.693 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.809 10.356 1.938 1.00 0.00 C ATOM 335 CE2 TYR A 23 -6.269 11.451 3.994 1.00 0.00 C ATOM 336 CZ TYR A 23 -6.339 11.459 2.618 1.00 0.00 C ATOM 337 OH TYR A 23 -5.932 12.574 1.919 1.00 0.00 O ATOM 0 H TYR A 23 -9.388 8.289 6.469 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.381 8.116 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.450 8.147 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.933 7.138 4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.580 8.376 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.611 10.326 5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.863 10.365 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.902 12.318 4.524 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.630 13.262 2.548 1.00 0.00 H new ATOM 347 N ARG A 24 -9.540 5.304 5.245 1.00 0.00 N ATOM 348 CA ARG A 24 -9.735 3.872 5.055 1.00 0.00 C ATOM 349 C ARG A 24 -10.779 3.641 3.976 1.00 0.00 C ATOM 350 O ARG A 24 -10.677 2.714 3.176 1.00 0.00 O ATOM 351 CB ARG A 24 -10.196 3.199 6.349 1.00 0.00 C ATOM 352 CG ARG A 24 -10.040 1.688 6.311 1.00 0.00 C ATOM 353 CD ARG A 24 -11.142 0.969 7.073 1.00 0.00 C ATOM 354 NE ARG A 24 -11.278 1.435 8.452 1.00 0.00 N ATOM 355 CZ ARG A 24 -11.029 0.681 9.522 1.00 0.00 C ATOM 356 NH1 ARG A 24 -10.563 -0.554 9.372 1.00 0.00 N ATOM 357 NH2 ARG A 24 -11.248 1.158 10.740 1.00 0.00 N ATOM 0 H ARG A 24 -9.739 5.639 6.188 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.781 3.436 4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.623 3.599 7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.241 3.448 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.041 1.352 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.073 1.415 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.089 1.111 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.936 -0.101 7.075 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.582 2.397 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.395 -0.926 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.373 -1.130 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.608 2.105 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.056 0.578 11.557 1.00 0.00 H new ATOM 371 N GLN A 25 -11.775 4.514 3.959 1.00 0.00 N ATOM 372 CA GLN A 25 -12.849 4.448 2.995 1.00 0.00 C ATOM 373 C GLN A 25 -12.345 4.791 1.601 1.00 0.00 C ATOM 374 O GLN A 25 -12.775 4.198 0.614 1.00 0.00 O ATOM 375 CB GLN A 25 -13.958 5.399 3.426 1.00 0.00 C ATOM 376 CG GLN A 25 -14.692 4.939 4.678 1.00 0.00 C ATOM 377 CD GLN A 25 -15.607 6.006 5.251 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.648 5.700 5.835 1.00 0.00 O ATOM 379 NE2 GLN A 25 -15.219 7.263 5.104 1.00 0.00 N ATOM 0 H GLN A 25 -11.856 5.288 4.618 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.242 3.432 2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.532 6.386 3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.674 5.504 2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.279 4.051 4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.963 4.648 5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.350 7.474 4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.789 8.020 5.481 1.00 0.00 H new ATOM 388 N ARG A 26 -11.414 5.734 1.529 1.00 0.00 N ATOM 389 CA ARG A 26 -10.793 6.095 0.263 1.00 0.00 C ATOM 390 C ARG A 26 -9.953 4.930 -0.244 1.00 0.00 C ATOM 391 O ARG A 26 -9.983 4.592 -1.426 1.00 0.00 O ATOM 392 CB ARG A 26 -9.912 7.337 0.432 1.00 0.00 C ATOM 393 CG ARG A 26 -9.317 7.852 -0.872 1.00 0.00 C ATOM 394 CD ARG A 26 -10.384 8.452 -1.779 1.00 0.00 C ATOM 395 NE ARG A 26 -10.967 9.664 -1.202 1.00 0.00 N ATOM 396 CZ ARG A 26 -11.953 10.369 -1.758 1.00 0.00 C ATOM 397 NH1 ARG A 26 -12.503 9.980 -2.901 1.00 0.00 N ATOM 398 NH2 ARG A 26 -12.388 11.470 -1.161 1.00 0.00 N ATOM 0 H ARG A 26 -11.073 6.262 2.332 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.576 6.321 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.503 8.131 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.102 7.105 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.559 8.605 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.815 7.035 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.947 8.685 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.170 7.717 -1.952 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.593 9.993 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.172 9.133 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.257 10.527 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.969 11.773 -0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.142 12.014 -1.581 1.00 0.00 H new ATOM 412 N LEU A 27 -9.229 4.310 0.677 1.00 0.00 N ATOM 413 CA LEU A 27 -8.369 3.177 0.353 1.00 0.00 C ATOM 414 C LEU A 27 -9.210 1.987 -0.089 1.00 0.00 C ATOM 415 O LEU A 27 -8.887 1.320 -1.068 1.00 0.00 O ATOM 416 CB LEU A 27 -7.515 2.792 1.566 1.00 0.00 C ATOM 417 CG LEU A 27 -6.594 3.894 2.094 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.905 3.444 3.369 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.564 4.282 1.047 1.00 0.00 C ATOM 0 H LEU A 27 -9.219 4.574 1.662 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.708 3.466 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.179 2.479 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.906 1.928 1.301 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.204 4.770 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.254 4.240 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.655 3.216 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.311 2.553 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.920 5.067 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.960 3.412 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.072 4.646 0.154 1.00 0.00 H new ATOM 431 N PHE A 28 -10.300 1.744 0.625 1.00 0.00 N ATOM 432 CA PHE A 28 -11.215 0.656 0.299 1.00 0.00 C ATOM 433 C PHE A 28 -11.809 0.865 -1.085 1.00 0.00 C ATOM 434 O PHE A 28 -11.945 -0.075 -1.869 1.00 0.00 O ATOM 435 CB PHE A 28 -12.331 0.587 1.336 1.00 0.00 C ATOM 436 CG PHE A 28 -13.132 -0.683 1.277 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.592 -1.882 1.722 1.00 0.00 C ATOM 438 CD2 PHE A 28 -14.424 -0.679 0.778 1.00 0.00 C ATOM 439 CE1 PHE A 28 -13.327 -3.050 1.669 1.00 0.00 C ATOM 440 CE2 PHE A 28 -15.163 -1.845 0.723 1.00 0.00 C ATOM 441 CZ PHE A 28 -14.613 -3.033 1.167 1.00 0.00 C ATOM 0 H PHE A 28 -10.575 2.290 1.441 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.661 -0.282 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.897 0.687 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -13.000 1.435 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.586 -1.902 2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.859 0.246 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.896 -3.976 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -16.170 -1.828 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 28 -15.188 -3.946 1.121 1.00 0.00 H new ATOM 451 N SER A 29 -12.157 2.111 -1.369 1.00 0.00 N ATOM 452 CA SER A 29 -12.658 2.493 -2.680 1.00 0.00 C ATOM 453 C SER A 29 -11.618 2.209 -3.762 1.00 0.00 C ATOM 454 O SER A 29 -11.961 1.808 -4.873 1.00 0.00 O ATOM 455 CB SER A 29 -13.025 3.976 -2.692 1.00 0.00 C ATOM 456 OG SER A 29 -14.049 4.261 -1.751 1.00 0.00 O ATOM 0 H SER A 29 -12.101 2.881 -0.702 1.00 0.00 H new ATOM 0 HA SER A 29 -13.549 1.901 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.142 4.573 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.355 4.263 -3.690 1.00 0.00 H new ATOM 0 HG SER A 29 -13.653 4.384 -0.863 1.00 0.00 H new ATOM 462 N MET A 30 -10.349 2.398 -3.418 1.00 0.00 N ATOM 463 CA MET A 30 -9.260 2.205 -4.368 1.00 0.00 C ATOM 464 C MET A 30 -8.836 0.739 -4.448 1.00 0.00 C ATOM 465 O MET A 30 -8.079 0.350 -5.340 1.00 0.00 O ATOM 466 CB MET A 30 -8.064 3.082 -3.991 1.00 0.00 C ATOM 467 CG MET A 30 -8.295 4.562 -4.251 1.00 0.00 C ATOM 468 SD MET A 30 -6.808 5.558 -4.025 1.00 0.00 S ATOM 469 CE MET A 30 -6.440 5.245 -2.300 1.00 0.00 C ATOM 0 H MET A 30 -10.049 2.685 -2.486 1.00 0.00 H new ATOM 0 HA MET A 30 -9.623 2.500 -5.352 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.835 2.938 -2.935 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.190 2.754 -4.554 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.662 4.693 -5.269 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.074 4.926 -3.581 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.836 6.061 -1.903 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.370 5.175 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.890 4.308 -2.209 1.00 0.00 H new ATOM 479 N GLY A 31 -9.321 -0.067 -3.515 1.00 0.00 N ATOM 480 CA GLY A 31 -9.018 -1.487 -3.525 1.00 0.00 C ATOM 481 C GLY A 31 -7.816 -1.834 -2.668 1.00 0.00 C ATOM 482 O GLY A 31 -7.119 -2.812 -2.933 1.00 0.00 O ATOM 0 H GLY A 31 -9.921 0.236 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.886 -2.042 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.833 -1.808 -4.550 1.00 0.00 H new ATOM 486 N LEU A 32 -7.570 -1.030 -1.644 1.00 0.00 N ATOM 487 CA LEU A 32 -6.459 -1.272 -0.733 1.00 0.00 C ATOM 488 C LEU A 32 -6.967 -1.809 0.601 1.00 0.00 C ATOM 489 O LEU A 32 -7.505 -1.065 1.423 1.00 0.00 O ATOM 490 CB LEU A 32 -5.658 0.015 -0.519 1.00 0.00 C ATOM 491 CG LEU A 32 -5.023 0.605 -1.782 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.323 1.916 -1.462 1.00 0.00 C ATOM 493 CD2 LEU A 32 -4.044 -0.384 -2.397 1.00 0.00 C ATOM 0 H LEU A 32 -8.125 -0.203 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.804 -2.021 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.316 0.764 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.869 -0.183 0.207 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.814 0.803 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.877 2.322 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.047 2.627 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.542 1.740 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.602 0.051 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.257 -0.612 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.571 -1.301 -2.661 1.00 0.00 H new ATOM 505 N LEU A 33 -6.820 -3.111 0.796 1.00 0.00 N ATOM 506 CA LEU A 33 -7.269 -3.759 2.010 1.00 0.00 C ATOM 507 C LEU A 33 -6.231 -4.775 2.481 1.00 0.00 C ATOM 508 O LEU A 33 -5.406 -5.240 1.689 1.00 0.00 O ATOM 509 CB LEU A 33 -8.620 -4.451 1.780 1.00 0.00 C ATOM 510 CG LEU A 33 -8.637 -5.572 0.733 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.843 -6.468 0.951 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.671 -5.005 -0.678 1.00 0.00 C ATOM 0 H LEU A 33 -6.389 -3.741 0.120 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.394 -3.000 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.959 -4.864 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.346 -3.694 1.484 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.723 -6.154 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.847 -7.261 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.794 -6.908 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.755 -5.879 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.682 -5.823 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.567 -4.397 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.788 -4.388 -0.844 1.00 0.00 H new ATOM 524 N PRO A 34 -6.240 -5.113 3.780 1.00 0.00 N ATOM 525 CA PRO A 34 -5.322 -6.107 4.343 1.00 0.00 C ATOM 526 C PRO A 34 -5.526 -7.485 3.724 1.00 0.00 C ATOM 527 O PRO A 34 -6.661 -7.926 3.527 1.00 0.00 O ATOM 528 CB PRO A 34 -5.682 -6.140 5.833 1.00 0.00 C ATOM 529 CG PRO A 34 -6.426 -4.874 6.082 1.00 0.00 C ATOM 530 CD PRO A 34 -7.141 -4.560 4.801 1.00 0.00 C ATOM 0 HA PRO A 34 -4.280 -5.848 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.294 -7.010 6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.788 -6.200 6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.131 -4.991 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.745 -4.068 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.127 -5.024 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.288 -3.488 4.672 1.00 0.00 H new ATOM 538 N GLY A 35 -4.429 -8.153 3.411 1.00 0.00 N ATOM 539 CA GLY A 35 -4.513 -9.472 2.821 1.00 0.00 C ATOM 540 C GLY A 35 -3.977 -9.504 1.406 1.00 0.00 C ATOM 541 O GLY A 35 -3.667 -10.574 0.881 1.00 0.00 O ATOM 0 H GLY A 35 -3.481 -7.806 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.954 -10.178 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.552 -9.802 2.821 1.00 0.00 H new ATOM 545 N ALA A 36 -3.861 -8.334 0.788 1.00 0.00 N ATOM 546 CA ALA A 36 -3.363 -8.237 -0.562 1.00 0.00 C ATOM 547 C ALA A 36 -1.847 -8.168 -0.558 1.00 0.00 C ATOM 548 O ALA A 36 -1.215 -8.112 0.501 1.00 0.00 O ATOM 549 CB ALA A 36 -3.955 -7.023 -1.266 1.00 0.00 C ATOM 0 H ALA A 36 -4.109 -7.440 1.211 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.668 -9.129 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.567 -6.967 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.041 -7.113 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.681 -6.118 -0.723 1.00 0.00 H new ATOM 555 N ALA A 37 -1.278 -8.160 -1.737 1.00 0.00 N ATOM 556 CA ALA A 37 0.169 -8.158 -1.898 1.00 0.00 C ATOM 557 C ALA A 37 0.578 -7.408 -3.159 1.00 0.00 C ATOM 558 O ALA A 37 -0.152 -7.394 -4.151 1.00 0.00 O ATOM 559 CB ALA A 37 0.699 -9.586 -1.937 1.00 0.00 C ATOM 0 H ALA A 37 -1.796 -8.155 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 37 0.604 -7.644 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.782 -9.569 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.446 -10.094 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.249 -10.118 -2.775 1.00 0.00 H new ATOM 565 N LEU A 38 1.742 -6.778 -3.111 1.00 0.00 N ATOM 566 CA LEU A 38 2.268 -6.046 -4.249 1.00 0.00 C ATOM 567 C LEU A 38 3.639 -6.589 -4.632 1.00 0.00 C ATOM 568 O LEU A 38 4.517 -6.749 -3.782 1.00 0.00 O ATOM 569 CB LEU A 38 2.384 -4.557 -3.925 1.00 0.00 C ATOM 570 CG LEU A 38 1.114 -3.896 -3.381 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.401 -2.458 -2.976 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.002 -3.942 -4.418 1.00 0.00 C ATOM 0 H LEU A 38 2.344 -6.760 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 38 1.580 -6.174 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.182 -4.424 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.688 -4.030 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 38 0.786 -4.448 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.490 -2.000 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.169 -2.444 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.750 -1.898 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.892 -3.468 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.320 -3.412 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.219 -4.980 -4.669 1.00 0.00 H new ATOM 584 N ARG A 39 3.807 -6.874 -5.905 1.00 0.00 N ATOM 585 CA ARG A 39 5.073 -7.371 -6.428 1.00 0.00 C ATOM 586 C ARG A 39 5.856 -6.217 -7.039 1.00 0.00 C ATOM 587 O ARG A 39 5.384 -5.574 -7.972 1.00 0.00 O ATOM 588 CB ARG A 39 4.802 -8.458 -7.471 1.00 0.00 C ATOM 589 CG ARG A 39 6.054 -9.086 -8.055 1.00 0.00 C ATOM 590 CD ARG A 39 5.710 -10.273 -8.941 1.00 0.00 C ATOM 591 NE ARG A 39 5.021 -11.325 -8.195 1.00 0.00 N ATOM 592 CZ ARG A 39 5.307 -12.621 -8.292 1.00 0.00 C ATOM 593 NH1 ARG A 39 6.201 -13.047 -9.178 1.00 0.00 N ATOM 594 NH2 ARG A 39 4.666 -13.494 -7.526 1.00 0.00 N ATOM 0 H ARG A 39 3.076 -6.770 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 39 5.665 -7.804 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.196 -9.240 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.212 -8.029 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.601 -8.342 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.712 -9.409 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.080 -9.940 -9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.623 -10.676 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 39 4.273 -11.048 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.672 -12.379 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.416 -14.042 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.958 -13.171 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.881 -14.489 -7.596 1.00 0.00 H new ATOM 608 N VAL A 40 7.041 -5.953 -6.509 1.00 0.00 N ATOM 609 CA VAL A 40 7.806 -4.769 -6.889 1.00 0.00 C ATOM 610 C VAL A 40 8.172 -4.750 -8.376 1.00 0.00 C ATOM 611 O VAL A 40 8.697 -5.727 -8.920 1.00 0.00 O ATOM 612 CB VAL A 40 9.096 -4.625 -6.041 1.00 0.00 C ATOM 613 CG1 VAL A 40 10.066 -5.767 -6.305 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.764 -3.284 -6.300 1.00 0.00 C ATOM 0 H VAL A 40 7.497 -6.543 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 40 7.149 -3.922 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 40 8.807 -4.670 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.959 -5.634 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.590 -6.714 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.345 -5.772 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.667 -3.204 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.026 -3.206 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.078 -2.479 -6.036 1.00 0.00 H new ATOM 624 N VAL A 41 7.837 -3.645 -9.033 1.00 0.00 N ATOM 625 CA VAL A 41 8.371 -3.343 -10.347 1.00 0.00 C ATOM 626 C VAL A 41 9.541 -2.379 -10.191 1.00 0.00 C ATOM 627 O VAL A 41 10.646 -2.662 -10.647 1.00 0.00 O ATOM 628 CB VAL A 41 7.300 -2.735 -11.282 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.915 -2.296 -12.600 1.00 0.00 C ATOM 630 CG2 VAL A 41 6.176 -3.733 -11.526 1.00 0.00 C ATOM 0 H VAL A 41 7.193 -2.942 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 41 8.705 -4.273 -10.807 1.00 0.00 H new ATOM 0 HB VAL A 41 6.884 -1.855 -10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.141 -1.872 -13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.682 -1.544 -12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.364 -3.156 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.431 -3.288 -12.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.582 -4.632 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.709 -3.995 -10.576 1.00 0.00 H new ATOM 640 N ARG A 42 9.285 -1.249 -9.515 1.00 0.00 N ATOM 641 CA ARG A 42 10.336 -0.276 -9.183 1.00 0.00 C ATOM 642 C ARG A 42 9.761 0.995 -8.558 1.00 0.00 C ATOM 643 O ARG A 42 8.593 1.334 -8.754 1.00 0.00 O ATOM 644 CB ARG A 42 11.168 0.117 -10.413 1.00 0.00 C ATOM 645 CG ARG A 42 10.383 0.817 -11.512 1.00 0.00 C ATOM 646 CD ARG A 42 11.309 1.344 -12.595 1.00 0.00 C ATOM 647 NE ARG A 42 10.586 2.012 -13.673 1.00 0.00 N ATOM 648 CZ ARG A 42 10.845 3.253 -14.088 1.00 0.00 C ATOM 649 NH1 ARG A 42 11.773 3.983 -13.476 1.00 0.00 N ATOM 650 NH2 ARG A 42 10.165 3.763 -15.107 1.00 0.00 N ATOM 0 H ARG A 42 8.356 -0.986 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 42 10.980 -0.775 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.980 0.770 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.626 -0.781 -10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.665 0.123 -11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.811 1.641 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.020 2.041 -12.152 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.887 0.517 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 42 9.837 1.498 -14.137 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.289 3.594 -12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.969 4.932 -13.796 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.447 3.206 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.361 4.712 -15.427 1.00 0.00 H new ATOM 664 N ILE A 43 10.604 1.686 -7.797 1.00 0.00 N ATOM 665 CA ILE A 43 10.300 3.022 -7.295 1.00 0.00 C ATOM 666 C ILE A 43 11.335 3.993 -7.865 1.00 0.00 C ATOM 667 O ILE A 43 12.504 3.632 -8.018 1.00 0.00 O ATOM 668 CB ILE A 43 10.341 3.088 -5.746 1.00 0.00 C ATOM 669 CG1 ILE A 43 9.277 2.156 -5.155 1.00 0.00 C ATOM 670 CG2 ILE A 43 10.139 4.526 -5.248 1.00 0.00 C ATOM 671 CD1 ILE A 43 9.306 2.073 -3.645 1.00 0.00 C ATOM 0 H ILE A 43 11.518 1.335 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 43 9.290 3.286 -7.608 1.00 0.00 H new ATOM 0 HB ILE A 43 11.325 2.758 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.292 2.498 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.414 1.156 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.172 4.542 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.930 5.163 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.171 4.896 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.524 1.395 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.277 1.701 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.137 3.064 -3.223 1.00 0.00 H new ATOM 683 N ALA A 44 10.914 5.199 -8.211 1.00 0.00 N ATOM 684 CA ALA A 44 11.843 6.214 -8.699 1.00 0.00 C ATOM 685 C ALA A 44 12.667 6.786 -7.546 1.00 0.00 C ATOM 686 O ALA A 44 12.120 7.129 -6.496 1.00 0.00 O ATOM 687 CB ALA A 44 11.095 7.326 -9.420 1.00 0.00 C ATOM 0 H ALA A 44 9.941 5.501 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 44 12.522 5.741 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.806 8.072 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.552 6.909 -10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.390 7.795 -8.733 1.00 0.00 H new ATOM 693 N PRO A 45 13.992 6.910 -7.741 1.00 0.00 N ATOM 694 CA PRO A 45 14.927 7.341 -6.686 1.00 0.00 C ATOM 695 C PRO A 45 14.716 8.791 -6.258 1.00 0.00 C ATOM 696 O PRO A 45 15.150 9.194 -5.175 1.00 0.00 O ATOM 697 CB PRO A 45 16.300 7.176 -7.341 1.00 0.00 C ATOM 698 CG PRO A 45 16.033 7.276 -8.800 1.00 0.00 C ATOM 699 CD PRO A 45 14.692 6.637 -9.010 1.00 0.00 C ATOM 0 HA PRO A 45 14.795 6.760 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.993 7.950 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.749 6.216 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.027 8.316 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.805 6.765 -9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.167 7.070 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.780 5.567 -9.200 1.00 0.00 H new ATOM 707 N LEU A 46 14.057 9.562 -7.122 1.00 0.00 N ATOM 708 CA LEU A 46 13.708 10.955 -6.831 1.00 0.00 C ATOM 709 C LEU A 46 13.003 11.057 -5.497 1.00 0.00 C ATOM 710 O LEU A 46 13.304 11.920 -4.674 1.00 0.00 O ATOM 711 CB LEU A 46 12.782 11.513 -7.915 1.00 0.00 C ATOM 712 CG LEU A 46 13.481 12.204 -9.091 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.315 13.383 -8.598 1.00 0.00 C ATOM 714 CD2 LEU A 46 14.347 11.214 -9.859 1.00 0.00 C ATOM 0 H LEU A 46 13.750 9.242 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 46 14.633 11.531 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.175 10.696 -8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.098 12.225 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 46 12.718 12.584 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.804 13.862 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.667 14.103 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.070 13.027 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.834 11.725 -10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.104 10.800 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.723 10.408 -10.245 1.00 0.00 H new ATOM 726 N GLY A 47 12.075 10.151 -5.300 1.00 0.00 N ATOM 727 CA GLY A 47 11.283 10.133 -4.108 1.00 0.00 C ATOM 728 C GLY A 47 10.396 8.933 -4.093 1.00 0.00 C ATOM 729 O GLY A 47 10.672 7.962 -3.383 1.00 0.00 O ATOM 0 H GLY A 47 11.853 9.410 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.932 10.125 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.681 11.040 -4.050 1.00 0.00 H new ATOM 733 N ASP A 48 9.351 8.974 -4.912 1.00 0.00 N ATOM 734 CA ASP A 48 8.419 7.875 -4.962 1.00 0.00 C ATOM 735 C ASP A 48 7.308 8.044 -5.976 1.00 0.00 C ATOM 736 O ASP A 48 6.665 9.080 -6.073 1.00 0.00 O ATOM 737 CB ASP A 48 7.744 7.740 -3.604 1.00 0.00 C ATOM 738 CG ASP A 48 6.925 8.974 -3.253 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.519 9.974 -2.801 1.00 0.00 O ATOM 740 OD2 ASP A 48 5.683 8.955 -3.439 1.00 0.00 O ATOM 0 H ASP A 48 9.137 9.749 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 48 9.008 7.003 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.097 6.863 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.501 7.576 -2.837 1.00 0.00 H new ATOM 745 N PRO A 49 7.169 7.039 -6.814 1.00 0.00 N ATOM 746 CA PRO A 49 5.931 6.377 -7.086 1.00 0.00 C ATOM 747 C PRO A 49 6.076 4.957 -6.567 1.00 0.00 C ATOM 748 O PRO A 49 7.046 4.656 -5.867 1.00 0.00 O ATOM 749 CB PRO A 49 5.894 6.398 -8.610 1.00 0.00 C ATOM 750 CG PRO A 49 7.346 6.392 -9.024 1.00 0.00 C ATOM 751 CD PRO A 49 8.170 6.576 -7.762 1.00 0.00 C ATOM 0 HA PRO A 49 5.038 6.814 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.365 5.531 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.379 7.284 -8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.602 5.455 -9.518 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.547 7.193 -9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.637 5.645 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.970 7.304 -7.899 1.00 0.00 H new ATOM 759 N ILE A 50 5.169 4.081 -6.903 1.00 0.00 N ATOM 760 CA ILE A 50 5.371 2.679 -6.600 1.00 0.00 C ATOM 761 C ILE A 50 4.777 1.836 -7.703 1.00 0.00 C ATOM 762 O ILE A 50 3.567 1.651 -7.761 1.00 0.00 O ATOM 763 CB ILE A 50 4.753 2.252 -5.241 1.00 0.00 C ATOM 764 CG1 ILE A 50 5.408 3.007 -4.080 1.00 0.00 C ATOM 765 CG2 ILE A 50 4.901 0.748 -5.040 1.00 0.00 C ATOM 766 CD1 ILE A 50 4.879 2.614 -2.720 1.00 0.00 C ATOM 0 H ILE A 50 4.294 4.301 -7.379 1.00 0.00 H new ATOM 0 HA ILE A 50 6.447 2.523 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 50 3.693 2.503 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.483 2.831 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.256 4.077 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.463 0.464 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.388 0.221 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.958 0.482 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.391 3.191 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.809 2.816 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.055 1.551 -2.554 1.00 0.00 H new ATOM 778 N GLN A 51 5.624 1.366 -8.598 1.00 0.00 N ATOM 779 CA GLN A 51 5.191 0.453 -9.628 1.00 0.00 C ATOM 780 C GLN A 51 5.248 -0.963 -9.101 1.00 0.00 C ATOM 781 O GLN A 51 6.302 -1.429 -8.665 1.00 0.00 O ATOM 782 CB GLN A 51 6.057 0.591 -10.876 1.00 0.00 C ATOM 783 CG GLN A 51 5.768 1.837 -11.695 1.00 0.00 C ATOM 784 CD GLN A 51 4.401 1.818 -12.362 1.00 0.00 C ATOM 785 OE1 GLN A 51 3.448 1.220 -11.863 1.00 0.00 O ATOM 786 NE2 GLN A 51 4.303 2.471 -13.511 1.00 0.00 N ATOM 0 H GLN A 51 6.615 1.604 -8.630 1.00 0.00 H new ATOM 0 HA GLN A 51 4.165 0.695 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.106 0.599 -10.579 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.911 -0.287 -11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.836 2.712 -11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.536 1.946 -12.461 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.115 2.955 -13.893 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.415 2.489 -14.013 1.00 0.00 H new ATOM 795 N VAL A 52 4.114 -1.632 -9.116 1.00 0.00 N ATOM 796 CA VAL A 52 4.021 -2.995 -8.620 1.00 0.00 C ATOM 797 C VAL A 52 3.083 -3.822 -9.480 1.00 0.00 C ATOM 798 O VAL A 52 2.426 -3.301 -10.375 1.00 0.00 O ATOM 799 CB VAL A 52 3.530 -3.055 -7.154 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.609 -2.588 -6.192 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.259 -2.238 -6.977 1.00 0.00 C ATOM 0 H VAL A 52 3.235 -1.253 -9.469 1.00 0.00 H new ATOM 0 HA VAL A 52 5.030 -3.405 -8.666 1.00 0.00 H new ATOM 0 HB VAL A 52 3.304 -4.095 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.233 -2.642 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.486 -3.228 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.883 -1.559 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.932 -2.294 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.455 -1.198 -7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.478 -2.635 -7.626 1.00 0.00 H new ATOM 811 N GLU A 53 3.041 -5.111 -9.207 1.00 0.00 N ATOM 812 CA GLU A 53 2.152 -6.026 -9.894 1.00 0.00 C ATOM 813 C GLU A 53 1.271 -6.702 -8.848 1.00 0.00 C ATOM 814 O GLU A 53 1.684 -6.852 -7.697 1.00 0.00 O ATOM 815 CB GLU A 53 2.984 -7.050 -10.683 1.00 0.00 C ATOM 816 CG GLU A 53 2.360 -7.482 -12.004 1.00 0.00 C ATOM 817 CD GLU A 53 1.182 -8.413 -11.829 1.00 0.00 C ATOM 818 OE1 GLU A 53 1.402 -9.637 -11.757 1.00 0.00 O ATOM 819 OE2 GLU A 53 0.036 -7.921 -11.753 1.00 0.00 O ATOM 0 H GLU A 53 3.626 -5.555 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 53 1.516 -5.500 -10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.968 -6.625 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.137 -7.932 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.037 -6.597 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.118 -7.976 -12.612 1.00 0.00 H new ATOM 826 N THR A 54 0.066 -7.085 -9.228 1.00 0.00 N ATOM 827 CA THR A 54 -0.898 -7.615 -8.275 1.00 0.00 C ATOM 828 C THR A 54 -1.325 -9.040 -8.628 1.00 0.00 C ATOM 829 O THR A 54 -1.628 -9.846 -7.741 1.00 0.00 O ATOM 830 CB THR A 54 -2.147 -6.712 -8.206 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.651 -6.470 -9.528 1.00 0.00 O ATOM 832 CG2 THR A 54 -1.825 -5.387 -7.524 1.00 0.00 C ATOM 0 H THR A 54 -0.271 -7.040 -10.190 1.00 0.00 H new ATOM 0 HA THR A 54 -0.405 -7.635 -7.303 1.00 0.00 H new ATOM 0 HB THR A 54 -2.907 -7.226 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.004 -5.934 -10.032 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.722 -4.769 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.474 -5.576 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.049 -4.868 -8.086 1.00 0.00 H new ATOM 840 N ARG A 55 -1.321 -9.344 -9.922 1.00 0.00 N ATOM 841 CA ARG A 55 -1.785 -10.629 -10.433 1.00 0.00 C ATOM 842 C ARG A 55 -1.683 -10.649 -11.954 1.00 0.00 C ATOM 843 O ARG A 55 -1.066 -11.542 -12.538 1.00 0.00 O ATOM 844 CB ARG A 55 -3.237 -10.899 -10.004 1.00 0.00 C ATOM 845 CG ARG A 55 -3.836 -12.160 -10.613 1.00 0.00 C ATOM 846 CD ARG A 55 -3.103 -13.419 -10.167 1.00 0.00 C ATOM 847 NE ARG A 55 -3.562 -14.599 -10.894 1.00 0.00 N ATOM 848 CZ ARG A 55 -3.089 -15.830 -10.702 1.00 0.00 C ATOM 849 NH1 ARG A 55 -2.220 -16.070 -9.728 1.00 0.00 N ATOM 850 NH2 ARG A 55 -3.514 -16.826 -11.463 1.00 0.00 N ATOM 0 H ARG A 55 -0.995 -8.705 -10.647 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.152 -11.412 -10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.276 -10.978 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.853 -10.044 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.886 -12.234 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.802 -12.088 -11.700 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.032 -13.290 -10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.255 -13.569 -9.098 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.292 -14.473 -11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.911 -15.310 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.861 -17.014 -9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.202 -16.651 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.153 -17.769 -11.318 1.00 0.00 H new ATOM 864 N GLN A 56 -2.300 -9.660 -12.586 1.00 0.00 N ATOM 865 CA GLN A 56 -2.306 -9.554 -14.044 1.00 0.00 C ATOM 866 C GLN A 56 -2.233 -8.100 -14.501 1.00 0.00 C ATOM 867 O GLN A 56 -2.314 -7.808 -15.693 1.00 0.00 O ATOM 868 CB GLN A 56 -3.574 -10.187 -14.610 1.00 0.00 C ATOM 869 CG GLN A 56 -3.556 -11.707 -14.648 1.00 0.00 C ATOM 870 CD GLN A 56 -2.547 -12.259 -15.640 1.00 0.00 C ATOM 871 OE1 GLN A 56 -2.865 -12.478 -16.809 1.00 0.00 O ATOM 872 NE2 GLN A 56 -1.324 -12.484 -15.185 1.00 0.00 N ATOM 0 H GLN A 56 -2.807 -8.913 -12.111 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.426 -10.080 -14.413 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.426 -9.861 -14.013 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.732 -9.813 -15.621 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.326 -12.088 -13.653 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.550 -12.071 -14.907 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.099 -12.290 -14.209 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.607 -12.852 -15.810 1.00 0.00 H new ATOM 881 N THR A 57 -2.079 -7.194 -13.556 1.00 0.00 N ATOM 882 CA THR A 57 -2.085 -5.772 -13.859 1.00 0.00 C ATOM 883 C THR A 57 -1.207 -4.997 -12.876 1.00 0.00 C ATOM 884 O THR A 57 -1.201 -5.269 -11.669 1.00 0.00 O ATOM 885 CB THR A 57 -3.526 -5.202 -13.860 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.517 -3.817 -14.232 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.189 -5.360 -12.498 1.00 0.00 C ATOM 0 H THR A 57 -1.948 -7.415 -12.569 1.00 0.00 H new ATOM 0 HA THR A 57 -1.671 -5.650 -14.860 1.00 0.00 H new ATOM 0 HB THR A 57 -4.102 -5.770 -14.591 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.434 -3.472 -14.230 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.198 -4.950 -12.535 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.236 -6.417 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.608 -4.826 -11.746 1.00 0.00 H new ATOM 895 N SER A 58 -0.459 -4.038 -13.407 1.00 0.00 N ATOM 896 CA SER A 58 0.452 -3.236 -12.606 1.00 0.00 C ATOM 897 C SER A 58 -0.288 -2.123 -11.867 1.00 0.00 C ATOM 898 O SER A 58 -1.290 -1.597 -12.356 1.00 0.00 O ATOM 899 CB SER A 58 1.538 -2.650 -13.506 1.00 0.00 C ATOM 900 OG SER A 58 0.968 -2.048 -14.659 1.00 0.00 O ATOM 0 H SER A 58 -0.467 -3.797 -14.398 1.00 0.00 H new ATOM 0 HA SER A 58 0.910 -3.879 -11.854 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.115 -1.910 -12.952 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.231 -3.436 -13.806 1.00 0.00 H new ATOM 0 HG SER A 58 1.680 -1.678 -15.221 1.00 0.00 H new ATOM 906 N LEU A 59 0.216 -1.762 -10.697 1.00 0.00 N ATOM 907 CA LEU A 59 -0.405 -0.743 -9.873 1.00 0.00 C ATOM 908 C LEU A 59 0.635 0.289 -9.452 1.00 0.00 C ATOM 909 O LEU A 59 1.810 -0.037 -9.309 1.00 0.00 O ATOM 910 CB LEU A 59 -1.060 -1.415 -8.656 1.00 0.00 C ATOM 911 CG LEU A 59 -2.095 -0.595 -7.867 1.00 0.00 C ATOM 912 CD1 LEU A 59 -1.431 0.367 -6.898 1.00 0.00 C ATOM 913 CD2 LEU A 59 -3.029 0.149 -8.812 1.00 0.00 C ATOM 0 H LEU A 59 1.062 -2.166 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.177 -0.220 -10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.544 -2.330 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.268 -1.710 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.686 -1.296 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.196 0.927 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.825 -0.194 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.795 1.059 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.752 0.722 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.449 0.826 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.555 -0.568 -9.442 1.00 0.00 H new ATOM 925 N ALA A 60 0.197 1.530 -9.282 1.00 0.00 N ATOM 926 CA ALA A 60 1.081 2.624 -8.884 1.00 0.00 C ATOM 927 C ALA A 60 0.397 3.538 -7.872 1.00 0.00 C ATOM 928 O ALA A 60 -0.822 3.719 -7.922 1.00 0.00 O ATOM 929 CB ALA A 60 1.515 3.422 -10.103 1.00 0.00 C ATOM 0 H ALA A 60 -0.775 1.808 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 60 1.963 2.192 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.173 4.233 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.047 2.769 -10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.637 3.837 -10.598 1.00 0.00 H new ATOM 935 N LEU A 61 1.182 4.123 -6.966 1.00 0.00 N ATOM 936 CA LEU A 61 0.653 5.005 -5.929 1.00 0.00 C ATOM 937 C LEU A 61 1.788 5.832 -5.335 1.00 0.00 C ATOM 938 O LEU A 61 2.933 5.707 -5.775 1.00 0.00 O ATOM 939 CB LEU A 61 -0.090 4.198 -4.844 1.00 0.00 C ATOM 940 CG LEU A 61 0.683 3.039 -4.211 1.00 0.00 C ATOM 941 CD1 LEU A 61 1.528 3.514 -3.041 1.00 0.00 C ATOM 942 CD2 LEU A 61 -0.272 1.941 -3.766 1.00 0.00 C ATOM 0 H LEU A 61 2.194 3.999 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.074 5.685 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.387 4.884 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.006 3.800 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 61 1.355 2.633 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.065 2.668 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.243 4.260 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.883 3.956 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.295 1.125 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.971 2.342 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.825 1.568 -4.628 1.00 0.00 H new ATOM 954 N ARG A 62 1.485 6.682 -4.359 1.00 0.00 N ATOM 955 CA ARG A 62 2.508 7.548 -3.782 1.00 0.00 C ATOM 956 C ARG A 62 2.849 7.164 -2.362 1.00 0.00 C ATOM 957 O ARG A 62 2.163 6.374 -1.718 1.00 0.00 O ATOM 958 CB ARG A 62 2.077 9.008 -3.779 1.00 0.00 C ATOM 959 CG ARG A 62 1.739 9.535 -5.145 1.00 0.00 C ATOM 960 CD ARG A 62 2.890 9.395 -6.127 1.00 0.00 C ATOM 961 NE ARG A 62 4.088 10.116 -5.703 1.00 0.00 N ATOM 962 CZ ARG A 62 4.532 11.227 -6.290 1.00 0.00 C ATOM 963 NH1 ARG A 62 3.800 11.831 -7.224 1.00 0.00 N ATOM 964 NH2 ARG A 62 5.701 11.739 -5.934 1.00 0.00 N ATOM 0 H ARG A 62 0.554 6.790 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 62 3.386 7.419 -4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.209 9.121 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.876 9.614 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.870 9.002 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.459 10.586 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.131 8.339 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.576 9.765 -7.103 1.00 0.00 H new ATOM 0 HE ARG A 62 4.615 9.747 -4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.896 11.444 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.144 12.681 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.259 11.283 -5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.043 12.589 -6.382 1.00 0.00 H new ATOM 978 N ARG A 63 3.905 7.785 -1.884 1.00 0.00 N ATOM 979 CA ARG A 63 4.403 7.555 -0.522 1.00 0.00 C ATOM 980 C ARG A 63 3.376 7.974 0.526 1.00 0.00 C ATOM 981 O ARG A 63 3.273 7.359 1.582 1.00 0.00 O ATOM 982 CB ARG A 63 5.713 8.310 -0.270 1.00 0.00 C ATOM 983 CG ARG A 63 5.565 9.824 -0.190 1.00 0.00 C ATOM 984 CD ARG A 63 6.903 10.501 0.049 1.00 0.00 C ATOM 985 NE ARG A 63 6.778 11.957 0.160 1.00 0.00 N ATOM 986 CZ ARG A 63 7.283 12.821 -0.728 1.00 0.00 C ATOM 987 NH1 ARG A 63 7.829 12.383 -1.858 1.00 0.00 N ATOM 988 NH2 ARG A 63 7.210 14.129 -0.499 1.00 0.00 N ATOM 0 H ARG A 63 4.449 8.463 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 63 4.586 6.484 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.151 7.951 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.416 8.068 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.127 10.197 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.877 10.082 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.349 10.106 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.582 10.258 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 63 6.275 12.335 0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.865 11.382 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.212 13.048 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.769 14.474 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.595 14.788 -1.176 1.00 0.00 H new ATOM 1002 N LYS A 64 2.636 9.033 0.234 1.00 0.00 N ATOM 1003 CA LYS A 64 1.642 9.547 1.167 1.00 0.00 C ATOM 1004 C LYS A 64 0.445 8.612 1.259 1.00 0.00 C ATOM 1005 O LYS A 64 -0.157 8.462 2.319 1.00 0.00 O ATOM 1006 CB LYS A 64 1.196 10.940 0.736 1.00 0.00 C ATOM 1007 CG LYS A 64 2.334 11.944 0.693 1.00 0.00 C ATOM 1008 CD LYS A 64 1.837 13.348 0.393 1.00 0.00 C ATOM 1009 CE LYS A 64 2.977 14.350 0.411 1.00 0.00 C ATOM 1010 NZ LYS A 64 2.497 15.750 0.271 1.00 0.00 N ATOM 0 H LYS A 64 2.704 9.554 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 64 2.097 9.609 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.736 10.879 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.429 11.298 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.858 11.940 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.055 11.644 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.351 13.364 -0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.085 13.635 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.532 14.250 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.671 14.123 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.309 16.399 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.990 15.855 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.855 15.977 1.057 1.00 0.00 H new ATOM 1024 N ASP A 65 0.117 7.980 0.146 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.962 7.003 0.107 1.00 0.00 C ATOM 1026 C ASP A 65 -0.498 5.706 0.755 1.00 0.00 C ATOM 1027 O ASP A 65 -1.250 5.038 1.458 1.00 0.00 O ATOM 1028 CB ASP A 65 -1.392 6.772 -1.344 1.00 0.00 C ATOM 1029 CG ASP A 65 -2.614 5.883 -1.477 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -3.667 6.225 -0.902 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.527 4.858 -2.187 1.00 0.00 O ATOM 0 H ASP A 65 0.584 8.126 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.822 7.376 0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.600 7.735 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.564 6.323 -1.893 1.00 0.00 H new ATOM 1036 N LEU A 66 0.768 5.380 0.535 1.00 0.00 N ATOM 1037 CA LEU A 66 1.387 4.226 1.174 1.00 0.00 C ATOM 1038 C LEU A 66 1.448 4.414 2.684 1.00 0.00 C ATOM 1039 O LEU A 66 1.390 3.453 3.447 1.00 0.00 O ATOM 1040 CB LEU A 66 2.801 4.020 0.638 1.00 0.00 C ATOM 1041 CG LEU A 66 3.515 2.774 1.161 1.00 0.00 C ATOM 1042 CD1 LEU A 66 2.857 1.522 0.603 1.00 0.00 C ATOM 1043 CD2 LEU A 66 4.994 2.819 0.811 1.00 0.00 C ATOM 0 H LEU A 66 1.389 5.901 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 66 0.779 3.350 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.757 3.965 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.400 4.896 0.889 1.00 0.00 H new ATOM 0 HG LEU A 66 3.431 2.749 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.373 0.640 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.812 1.492 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.913 1.536 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.485 1.924 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.110 2.864 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.448 3.701 1.262 1.00 0.00 H new ATOM 1055 N ALA A 67 1.561 5.666 3.105 1.00 0.00 N ATOM 1056 CA ALA A 67 1.663 6.000 4.520 1.00 0.00 C ATOM 1057 C ALA A 67 0.363 5.709 5.260 1.00 0.00 C ATOM 1058 O ALA A 67 0.317 5.774 6.486 1.00 0.00 O ATOM 1059 CB ALA A 67 2.054 7.459 4.692 1.00 0.00 C ATOM 0 H ALA A 67 1.585 6.473 2.482 1.00 0.00 H new ATOM 0 HA ALA A 67 2.440 5.371 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.126 7.694 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.018 7.636 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.299 8.095 4.231 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.694 5.405 4.516 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.965 5.021 5.115 1.00 0.00 C ATOM 1067 C LEU A 68 -2.045 3.504 5.278 1.00 0.00 C ATOM 1068 O LEU A 68 -2.985 2.978 5.876 1.00 0.00 O ATOM 1069 CB LEU A 68 -3.120 5.521 4.249 1.00 0.00 C ATOM 1070 CG LEU A 68 -3.139 7.031 3.998 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -4.199 7.382 2.969 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -3.390 7.785 5.295 1.00 0.00 C ATOM 0 H LEU A 68 -0.695 5.417 3.496 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.038 5.477 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.080 5.009 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.059 5.236 4.723 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.165 7.328 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.201 8.459 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.981 6.869 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.178 7.070 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.400 8.857 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.352 7.484 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.598 7.555 6.008 1.00 0.00 H new ATOM 1084 N LEU A 69 -1.039 2.810 4.765 1.00 0.00 N ATOM 1085 CA LEU A 69 -1.001 1.359 4.822 1.00 0.00 C ATOM 1086 C LEU A 69 0.225 0.876 5.585 1.00 0.00 C ATOM 1087 O LEU A 69 1.239 1.569 5.665 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.975 0.770 3.405 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.203 1.066 2.541 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.992 0.548 1.128 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.454 0.447 3.154 1.00 0.00 C ATOM 0 H LEU A 69 -0.235 3.233 4.302 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.898 1.023 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.092 1.148 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.860 -0.311 3.483 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.342 2.146 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.874 0.766 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.122 1.035 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.829 -0.529 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.316 0.669 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.327 -0.633 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.615 0.862 4.149 1.00 0.00 H new ATOM 1103 N THR A 70 0.119 -0.304 6.162 1.00 0.00 N ATOM 1104 CA THR A 70 1.266 -0.970 6.753 1.00 0.00 C ATOM 1105 C THR A 70 1.593 -2.231 5.955 1.00 0.00 C ATOM 1106 O THR A 70 0.746 -3.120 5.808 1.00 0.00 O ATOM 1107 CB THR A 70 1.008 -1.341 8.222 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.473 -0.212 8.927 1.00 0.00 O ATOM 1109 CG2 THR A 70 2.291 -1.804 8.903 1.00 0.00 C ATOM 0 H THR A 70 -0.755 -0.825 6.235 1.00 0.00 H new ATOM 0 HA THR A 70 2.109 -0.280 6.723 1.00 0.00 H new ATOM 0 HB THR A 70 0.289 -2.160 8.242 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.310 -0.457 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.080 -2.060 9.941 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.682 -2.680 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.030 -1.003 8.870 1.00 0.00 H new ATOM 1117 N LEU A 71 2.806 -2.297 5.432 1.00 0.00 N ATOM 1118 CA LEU A 71 3.209 -3.407 4.577 1.00 0.00 C ATOM 1119 C LEU A 71 4.100 -4.389 5.319 1.00 0.00 C ATOM 1120 O LEU A 71 4.890 -4.008 6.183 1.00 0.00 O ATOM 1121 CB LEU A 71 3.951 -2.904 3.334 1.00 0.00 C ATOM 1122 CG LEU A 71 3.157 -1.987 2.405 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.970 -1.666 1.164 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.824 -2.613 2.027 1.00 0.00 C ATOM 0 H LEU A 71 3.531 -1.596 5.583 1.00 0.00 H new ATOM 0 HA LEU A 71 2.295 -3.917 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.845 -2.372 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.285 -3.768 2.760 1.00 0.00 H new ATOM 0 HG LEU A 71 2.950 -1.058 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.393 -1.012 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.894 -1.166 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.207 -2.589 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.280 -1.939 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.999 -3.560 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.236 -2.790 2.928 1.00 0.00 H new ATOM 1136 N VAL A 72 3.962 -5.655 4.966 1.00 0.00 N ATOM 1137 CA VAL A 72 4.832 -6.703 5.474 1.00 0.00 C ATOM 1138 C VAL A 72 5.372 -7.530 4.312 1.00 0.00 C ATOM 1139 O VAL A 72 4.611 -8.142 3.563 1.00 0.00 O ATOM 1140 CB VAL A 72 4.112 -7.630 6.482 1.00 0.00 C ATOM 1141 CG1 VAL A 72 3.865 -6.910 7.800 1.00 0.00 C ATOM 1142 CG2 VAL A 72 2.800 -8.148 5.908 1.00 0.00 C ATOM 0 H VAL A 72 3.245 -5.986 4.320 1.00 0.00 H new ATOM 0 HA VAL A 72 5.651 -6.218 6.005 1.00 0.00 H new ATOM 0 HB VAL A 72 4.763 -8.483 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.358 -7.582 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.818 -6.599 8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.242 -6.033 7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.315 -8.797 6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.146 -7.307 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.999 -8.712 4.996 1.00 0.00 H new ATOM 1152 N PRO A 73 6.693 -7.538 4.119 1.00 0.00 N ATOM 1153 CA PRO A 73 7.309 -8.269 3.016 1.00 0.00 C ATOM 1154 C PRO A 73 7.237 -9.775 3.228 1.00 0.00 C ATOM 1155 O PRO A 73 6.991 -10.243 4.344 1.00 0.00 O ATOM 1156 CB PRO A 73 8.775 -7.805 3.037 1.00 0.00 C ATOM 1157 CG PRO A 73 8.839 -6.670 4.012 1.00 0.00 C ATOM 1158 CD PRO A 73 7.687 -6.853 4.953 1.00 0.00 C ATOM 0 HA PRO A 73 6.805 -8.075 2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.436 -8.617 3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.097 -7.486 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.786 -6.675 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.771 -5.712 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.965 -7.449 5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.314 -5.899 5.326 1.00 0.00 H new ATOM 1166 N LEU A 74 7.442 -10.530 2.156 1.00 0.00 N ATOM 1167 CA LEU A 74 7.551 -11.977 2.255 1.00 0.00 C ATOM 1168 C LEU A 74 8.695 -12.341 3.195 1.00 0.00 C ATOM 1169 O LEU A 74 8.536 -13.167 4.097 1.00 0.00 O ATOM 1170 CB LEU A 74 7.791 -12.590 0.877 1.00 0.00 C ATOM 1171 CG LEU A 74 6.652 -12.409 -0.127 1.00 0.00 C ATOM 1172 CD1 LEU A 74 7.010 -13.057 -1.453 1.00 0.00 C ATOM 1173 CD2 LEU A 74 5.357 -12.990 0.420 1.00 0.00 C ATOM 0 H LEU A 74 7.536 -10.163 1.209 1.00 0.00 H new ATOM 0 HA LEU A 74 6.617 -12.375 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.697 -12.153 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.979 -13.657 1.000 1.00 0.00 H new ATOM 0 HG LEU A 74 6.503 -11.342 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.190 -12.920 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.913 -12.594 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.185 -14.122 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.559 -12.851 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.489 -14.054 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.093 -12.482 1.347 1.00 0.00 H new ATOM 1185 N ASP A 75 9.835 -11.701 2.974 1.00 0.00 N ATOM 1186 CA ASP A 75 10.993 -11.842 3.844 1.00 0.00 C ATOM 1187 C ASP A 75 11.654 -10.487 4.042 1.00 0.00 C ATOM 1188 O ASP A 75 11.234 -9.752 4.962 1.00 0.00 O ATOM 1189 CB ASP A 75 12.000 -12.844 3.267 1.00 0.00 C ATOM 1190 CG ASP A 75 11.634 -14.278 3.576 1.00 0.00 C ATOM 1191 OD1 ASP A 75 10.877 -14.892 2.795 1.00 0.00 O ATOM 1192 OD2 ASP A 75 12.095 -14.799 4.612 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.570 -10.148 3.261 1.00 0.00 O ATOM 0 H ASP A 75 9.982 -11.070 2.187 1.00 0.00 H new ATOM 0 HA ASP A 75 10.655 -12.224 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.060 -12.713 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.990 -12.631 3.669 1.00 0.00 H new TER 1198 ASP A 75