USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 62 GLN : amide:sc= 0.77 K(o=1.6,f=-2.8) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -173:sc= 0.878 (180deg=-0.0172) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.29 X(o=0.98,f=1.3) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.16) USER MOD Set 3.1: A 7 THR OG1 : rot -77:sc= 0.152 USER MOD Set 3.2: A 9 THR OG1 : rot -10:sc=0.000765 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.24 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc=-0.000747 X(o=-0.00075,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0216 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.71 (180deg=0.264) USER MOD Single : A 31 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 GLN : amide:sc= 1.67 K(o=1.7,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.28 K(o=1.3,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 57 SER OG : rot 87:sc= 1.02 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.579 USER MOD Single : A 60 ASN : amide:sc= -0.0395 X(o=-0.04,f=-0.41) USER MOD Single : A 65 SER OG : rot 102:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.859 51.857 20.584 1.00 0.00 N ATOM 2 CA MET A 1 33.062 52.071 22.026 1.00 0.00 C ATOM 3 C MET A 1 34.459 52.639 22.286 1.00 0.00 C ATOM 4 O MET A 1 35.416 52.197 21.656 1.00 0.00 O ATOM 5 CB MET A 1 32.879 50.789 22.832 1.00 0.00 C ATOM 6 CG MET A 1 31.436 50.290 22.855 1.00 0.00 C ATOM 7 SD MET A 1 31.176 48.861 23.936 1.00 0.00 S ATOM 8 CE MET A 1 29.394 48.639 23.707 1.00 0.00 C ATOM 0 H1 MET A 1 31.844 51.735 20.391 1.00 0.00 H new ATOM 0 H2 MET A 1 33.216 52.680 20.057 1.00 0.00 H new ATOM 0 H3 MET A 1 33.373 51.004 20.284 1.00 0.00 H new ATOM 0 HA MET A 1 32.304 52.783 22.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.518 50.011 22.414 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.213 50.961 23.855 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.785 51.102 23.179 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.136 50.026 21.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.053 47.793 24.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.871 49.541 24.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.183 48.449 22.655 1.00 0.00 H new ATOM 20 N GLN A 2 34.589 53.559 23.237 1.00 0.00 N ATOM 21 CA GLN A 2 35.861 54.081 23.694 1.00 0.00 C ATOM 22 C GLN A 2 36.540 53.135 24.685 1.00 0.00 C ATOM 23 O GLN A 2 35.905 52.703 25.645 1.00 0.00 O ATOM 24 CB GLN A 2 35.648 55.470 24.290 1.00 0.00 C ATOM 25 CG GLN A 2 36.930 56.111 24.816 1.00 0.00 C ATOM 26 CD GLN A 2 36.823 57.635 24.876 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.737 58.258 25.933 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.826 58.292 23.720 1.00 0.00 N ATOM 0 H GLN A 2 33.789 53.969 23.720 1.00 0.00 H new ATOM 0 HA GLN A 2 36.536 54.162 22.842 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.212 56.119 23.531 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.926 55.401 25.103 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.148 55.723 25.811 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.766 55.831 24.175 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.897 57.778 22.842 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.757 59.310 23.712 1.00 0.00 H new ATOM 37 N ILE A 3 37.826 52.853 24.492 1.00 0.00 N ATOM 38 CA ILE A 3 38.657 52.097 25.406 1.00 0.00 C ATOM 39 C ILE A 3 40.021 52.763 25.596 1.00 0.00 C ATOM 40 O ILE A 3 40.373 53.689 24.868 1.00 0.00 O ATOM 41 CB ILE A 3 38.808 50.638 24.982 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.537 50.485 23.650 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.466 49.913 24.988 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.086 49.079 23.426 1.00 0.00 C ATOM 0 H ILE A 3 38.331 53.160 23.660 1.00 0.00 H new ATOM 0 HA ILE A 3 38.146 52.095 26.369 1.00 0.00 H new ATOM 0 HB ILE A 3 39.441 50.158 25.729 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.854 50.736 22.838 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.358 51.200 23.608 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.611 48.877 24.681 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.043 49.938 25.992 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.784 50.405 24.295 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.593 49.036 22.462 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.793 48.834 24.219 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.265 48.362 23.437 1.00 0.00 H new ATOM 56 N PHE A 4 40.817 52.261 26.535 1.00 0.00 N ATOM 57 CA PHE A 4 42.151 52.750 26.821 1.00 0.00 C ATOM 58 C PHE A 4 43.204 51.642 26.737 1.00 0.00 C ATOM 59 O PHE A 4 42.925 50.500 27.093 1.00 0.00 O ATOM 60 CB PHE A 4 42.154 53.401 28.202 1.00 0.00 C ATOM 61 CG PHE A 4 41.082 54.447 28.400 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.207 55.697 27.784 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.948 54.153 29.167 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.186 56.646 27.918 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.931 55.105 29.312 1.00 0.00 C ATOM 66 CZ PHE A 4 39.048 56.346 28.676 1.00 0.00 C ATOM 0 H PHE A 4 40.539 51.482 27.131 1.00 0.00 H new ATOM 0 HA PHE A 4 42.419 53.487 26.064 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.031 52.624 28.957 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.128 53.859 28.372 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.089 55.930 27.206 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.857 53.190 29.648 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.276 57.609 27.437 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.061 54.882 29.912 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.257 57.075 28.770 1.00 0.00 H new ATOM 76 N VAL A 5 44.420 51.972 26.311 1.00 0.00 N ATOM 77 CA VAL A 5 45.545 51.058 26.286 1.00 0.00 C ATOM 78 C VAL A 5 46.754 51.667 26.998 1.00 0.00 C ATOM 79 O VAL A 5 47.201 52.748 26.620 1.00 0.00 O ATOM 80 CB VAL A 5 45.907 50.630 24.867 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.976 49.542 24.879 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.710 50.076 24.097 1.00 0.00 C ATOM 0 H VAL A 5 44.650 52.904 25.967 1.00 0.00 H new ATOM 0 HA VAL A 5 45.243 50.159 26.823 1.00 0.00 H new ATOM 0 HB VAL A 5 46.270 51.532 24.375 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.215 49.256 23.855 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.873 49.919 25.369 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.604 48.673 25.421 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.025 49.787 23.094 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.314 49.205 24.618 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.936 50.840 24.028 1.00 0.00 H new ATOM 92 N LYS A 6 47.310 50.973 27.988 1.00 0.00 N ATOM 93 CA LYS A 6 48.583 51.286 28.603 1.00 0.00 C ATOM 94 C LYS A 6 49.710 50.770 27.706 1.00 0.00 C ATOM 95 O LYS A 6 49.810 49.565 27.491 1.00 0.00 O ATOM 96 CB LYS A 6 48.636 50.701 30.011 1.00 0.00 C ATOM 97 CG LYS A 6 49.881 51.132 30.780 1.00 0.00 C ATOM 98 CD LYS A 6 50.079 50.389 32.098 1.00 0.00 C ATOM 99 CE LYS A 6 48.970 50.633 33.119 1.00 0.00 C ATOM 100 NZ LYS A 6 49.280 49.988 34.404 1.00 0.00 N ATOM 0 H LYS A 6 46.865 50.149 28.393 1.00 0.00 H new ATOM 0 HA LYS A 6 48.707 52.364 28.704 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.748 51.010 30.562 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.610 49.613 29.949 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.757 50.976 30.151 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.820 52.201 30.982 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.144 49.320 31.895 1.00 0.00 H new ATOM 0 HD3 LYS A 6 51.032 50.689 32.533 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.839 51.705 33.269 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.026 50.248 32.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.510 50.170 35.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.381 48.963 34.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.169 50.375 34.781 1.00 0.00 H new ATOM 114 N THR A 7 50.534 51.665 27.166 1.00 0.00 N ATOM 115 CA THR A 7 51.596 51.369 26.225 1.00 0.00 C ATOM 116 C THR A 7 52.896 50.918 26.893 1.00 0.00 C ATOM 117 O THR A 7 52.962 50.812 28.115 1.00 0.00 O ATOM 118 CB THR A 7 51.848 52.573 25.323 1.00 0.00 C ATOM 119 OG1 THR A 7 52.405 53.625 26.079 1.00 0.00 O ATOM 120 CG2 THR A 7 50.603 53.071 24.595 1.00 0.00 C ATOM 0 H THR A 7 50.472 52.659 27.386 1.00 0.00 H new ATOM 0 HA THR A 7 51.254 50.524 25.627 1.00 0.00 H new ATOM 0 HB THR A 7 52.542 52.238 24.553 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.700 54.062 26.601 1.00 0.00 H new ATOM 0 HG21 THR A 7 50.863 53.928 23.974 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.206 52.274 23.966 1.00 0.00 H new ATOM 0 HG23 THR A 7 49.849 53.367 25.324 1.00 0.00 H new ATOM 128 N LEU A 8 53.959 50.669 26.133 1.00 0.00 N ATOM 129 CA LEU A 8 55.245 50.257 26.660 1.00 0.00 C ATOM 130 C LEU A 8 55.962 51.363 27.437 1.00 0.00 C ATOM 131 O LEU A 8 56.740 51.072 28.342 1.00 0.00 O ATOM 132 CB LEU A 8 56.147 49.753 25.537 1.00 0.00 C ATOM 133 CG LEU A 8 55.629 48.592 24.691 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.705 48.187 23.687 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.274 47.360 25.519 1.00 0.00 C ATOM 0 H LEU A 8 53.945 50.751 25.116 1.00 0.00 H new ATOM 0 HA LEU A 8 55.040 49.451 27.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.355 50.590 24.870 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.098 49.452 25.977 1.00 0.00 H new ATOM 0 HG LEU A 8 54.721 48.941 24.200 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.342 47.358 23.079 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.939 49.034 23.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.604 47.879 24.221 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.912 46.571 24.860 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.159 47.012 26.051 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.496 47.617 26.238 1.00 0.00 H new ATOM 147 N THR A 9 55.667 52.626 27.144 1.00 0.00 N ATOM 148 CA THR A 9 56.056 53.775 27.938 1.00 0.00 C ATOM 149 C THR A 9 55.094 54.064 29.092 1.00 0.00 C ATOM 150 O THR A 9 55.305 55.012 29.845 1.00 0.00 O ATOM 151 CB THR A 9 56.169 55.037 27.089 1.00 0.00 C ATOM 152 OG1 THR A 9 54.906 55.313 26.525 1.00 0.00 O ATOM 153 CG2 THR A 9 57.180 54.929 25.952 1.00 0.00 C ATOM 0 H THR A 9 55.130 52.881 26.315 1.00 0.00 H new ATOM 0 HA THR A 9 57.029 53.510 28.352 1.00 0.00 H new ATOM 0 HB THR A 9 56.515 55.829 27.753 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.305 54.555 26.682 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.202 55.866 25.395 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.169 54.727 26.363 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.892 54.117 25.285 1.00 0.00 H new ATOM 161 N GLY A 10 54.025 53.291 29.262 1.00 0.00 N ATOM 162 CA GLY A 10 53.007 53.521 30.267 1.00 0.00 C ATOM 163 C GLY A 10 52.043 54.669 29.962 1.00 0.00 C ATOM 164 O GLY A 10 51.242 55.020 30.825 1.00 0.00 O ATOM 0 H GLY A 10 53.844 52.468 28.687 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.429 52.605 30.393 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.497 53.722 31.219 1.00 0.00 H new ATOM 168 N LYS A 11 52.083 55.258 28.769 1.00 0.00 N ATOM 169 CA LYS A 11 51.101 56.231 28.337 1.00 0.00 C ATOM 170 C LYS A 11 49.749 55.533 28.168 1.00 0.00 C ATOM 171 O LYS A 11 49.699 54.420 27.648 1.00 0.00 O ATOM 172 CB LYS A 11 51.577 56.918 27.059 1.00 0.00 C ATOM 173 CG LYS A 11 50.653 58.041 26.595 1.00 0.00 C ATOM 174 CD LYS A 11 51.157 58.666 25.297 1.00 0.00 C ATOM 175 CE LYS A 11 50.165 59.710 24.794 1.00 0.00 C ATOM 176 NZ LYS A 11 50.589 60.286 23.508 1.00 0.00 N ATOM 0 H LYS A 11 52.806 55.067 28.075 1.00 0.00 H new ATOM 0 HA LYS A 11 50.978 57.013 29.086 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.575 57.323 27.223 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.661 56.175 26.266 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.646 57.650 26.447 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.588 58.806 27.369 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.130 59.128 25.462 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.295 57.892 24.542 1.00 0.00 H new ATOM 0 HE2 LYS A 11 49.181 59.254 24.682 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.066 60.504 25.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 49.891 60.991 23.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.516 60.743 23.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.660 59.531 22.796 1.00 0.00 H new ATOM 190 N THR A 12 48.662 56.170 28.594 1.00 0.00 N ATOM 191 CA THR A 12 47.325 55.634 28.433 1.00 0.00 C ATOM 192 C THR A 12 46.669 56.256 27.199 1.00 0.00 C ATOM 193 O THR A 12 46.158 57.372 27.268 1.00 0.00 O ATOM 194 CB THR A 12 46.495 55.813 29.701 1.00 0.00 C ATOM 195 OG1 THR A 12 47.098 55.092 30.752 1.00 0.00 O ATOM 196 CG2 THR A 12 45.093 55.224 29.574 1.00 0.00 C ATOM 0 H THR A 12 48.690 57.076 29.062 1.00 0.00 H new ATOM 0 HA THR A 12 47.386 54.558 28.270 1.00 0.00 H new ATOM 0 HB THR A 12 46.439 56.887 29.880 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.571 55.204 31.570 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.547 55.380 30.505 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.565 55.715 28.757 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.164 54.156 29.370 1.00 0.00 H new ATOM 204 N ILE A 13 46.723 55.561 26.066 1.00 0.00 N ATOM 205 CA ILE A 13 46.208 56.027 24.795 1.00 0.00 C ATOM 206 C ILE A 13 44.748 55.621 24.588 1.00 0.00 C ATOM 207 O ILE A 13 44.341 54.522 24.957 1.00 0.00 O ATOM 208 CB ILE A 13 47.108 55.639 23.625 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.243 54.131 23.435 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.476 56.294 23.794 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.979 53.716 22.164 1.00 0.00 C ATOM 0 H ILE A 13 47.140 54.632 26.012 1.00 0.00 H new ATOM 0 HA ILE A 13 46.220 57.116 24.827 1.00 0.00 H new ATOM 0 HB ILE A 13 46.631 56.007 22.717 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.767 53.715 24.295 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.247 53.688 23.424 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.118 56.016 22.958 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.360 57.378 23.818 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.928 55.957 24.727 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.028 52.628 22.111 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.446 54.098 21.294 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.989 54.125 22.179 1.00 0.00 H new ATOM 223 N THR A 14 43.952 56.516 24.008 1.00 0.00 N ATOM 224 CA THR A 14 42.512 56.385 23.905 1.00 0.00 C ATOM 225 C THR A 14 42.103 55.895 22.514 1.00 0.00 C ATOM 226 O THR A 14 42.270 56.605 21.525 1.00 0.00 O ATOM 227 CB THR A 14 41.825 57.707 24.232 1.00 0.00 C ATOM 228 OG1 THR A 14 42.342 58.234 25.434 1.00 0.00 O ATOM 229 CG2 THR A 14 40.317 57.551 24.405 1.00 0.00 C ATOM 0 H THR A 14 44.307 57.374 23.587 1.00 0.00 H new ATOM 0 HA THR A 14 42.190 55.641 24.633 1.00 0.00 H new ATOM 0 HB THR A 14 42.017 58.373 23.391 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.094 57.650 26.181 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.875 58.520 24.637 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.883 57.165 23.483 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.114 56.856 25.220 1.00 0.00 H new ATOM 237 N LEU A 15 41.556 54.686 22.426 1.00 0.00 N ATOM 238 CA LEU A 15 41.170 54.028 21.194 1.00 0.00 C ATOM 239 C LEU A 15 39.650 53.980 21.030 1.00 0.00 C ATOM 240 O LEU A 15 38.894 54.162 21.982 1.00 0.00 O ATOM 241 CB LEU A 15 41.787 52.634 21.128 1.00 0.00 C ATOM 242 CG LEU A 15 43.190 52.573 20.530 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.251 53.257 21.385 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.603 51.115 20.352 1.00 0.00 C ATOM 0 H LEU A 15 41.364 54.118 23.251 1.00 0.00 H new ATOM 0 HA LEU A 15 41.555 54.614 20.359 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.821 52.221 22.136 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.131 51.991 20.541 1.00 0.00 H new ATOM 0 HG LEU A 15 43.136 53.104 19.580 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.222 53.173 20.896 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.996 54.310 21.508 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.294 52.778 22.363 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.605 51.070 19.925 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.599 50.615 21.320 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.901 50.617 19.683 1.00 0.00 H new ATOM 256 N GLU A 16 39.194 53.700 19.812 1.00 0.00 N ATOM 257 CA GLU A 16 37.821 53.349 19.508 1.00 0.00 C ATOM 258 C GLU A 16 37.756 51.970 18.847 1.00 0.00 C ATOM 259 O GLU A 16 38.467 51.723 17.876 1.00 0.00 O ATOM 260 CB GLU A 16 37.189 54.439 18.648 1.00 0.00 C ATOM 261 CG GLU A 16 35.698 54.191 18.442 1.00 0.00 C ATOM 262 CD GLU A 16 35.063 55.319 17.627 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.913 55.166 16.395 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.721 56.370 18.210 1.00 0.00 O ATOM 0 H GLU A 16 39.794 53.713 18.987 1.00 0.00 H new ATOM 0 HA GLU A 16 37.245 53.284 20.431 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.336 55.409 19.122 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.690 54.478 17.681 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.551 53.240 17.930 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.202 54.112 19.409 1.00 0.00 H new ATOM 271 N VAL A 17 36.923 51.079 19.376 1.00 0.00 N ATOM 272 CA VAL A 17 36.770 49.707 18.936 1.00 0.00 C ATOM 273 C VAL A 17 35.302 49.287 18.827 1.00 0.00 C ATOM 274 O VAL A 17 34.448 49.784 19.558 1.00 0.00 O ATOM 275 CB VAL A 17 37.499 48.726 19.850 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.007 48.953 19.873 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.975 48.728 21.284 1.00 0.00 C ATOM 0 H VAL A 17 36.311 51.310 20.159 1.00 0.00 H new ATOM 0 HA VAL A 17 37.219 49.671 17.943 1.00 0.00 H new ATOM 0 HB VAL A 17 37.292 47.749 19.412 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.474 48.227 20.539 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.408 48.833 18.867 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.218 49.961 20.230 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.538 48.008 21.878 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.092 49.723 21.713 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.920 48.454 21.286 1.00 0.00 H new ATOM 287 N GLU A 18 35.023 48.325 17.952 1.00 0.00 N ATOM 288 CA GLU A 18 33.748 47.646 17.836 1.00 0.00 C ATOM 289 C GLU A 18 33.776 46.291 18.546 1.00 0.00 C ATOM 290 O GLU A 18 34.676 45.503 18.267 1.00 0.00 O ATOM 291 CB GLU A 18 33.394 47.442 16.365 1.00 0.00 C ATOM 292 CG GLU A 18 33.086 48.747 15.636 1.00 0.00 C ATOM 293 CD GLU A 18 32.618 48.476 14.205 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.410 48.637 13.927 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.455 48.116 13.348 1.00 0.00 O ATOM 0 H GLU A 18 35.712 47.988 17.279 1.00 0.00 H new ATOM 0 HA GLU A 18 32.992 48.271 18.312 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.222 46.940 15.865 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.531 46.781 16.294 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.316 49.297 16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.975 49.377 15.619 1.00 0.00 H new ATOM 302 N PRO A 19 32.810 45.941 19.390 1.00 0.00 N ATOM 303 CA PRO A 19 32.745 44.648 20.040 1.00 0.00 C ATOM 304 C PRO A 19 32.809 43.422 19.126 1.00 0.00 C ATOM 305 O PRO A 19 33.237 42.360 19.571 1.00 0.00 O ATOM 306 CB PRO A 19 31.438 44.651 20.827 1.00 0.00 C ATOM 307 CG PRO A 19 31.253 46.123 21.184 1.00 0.00 C ATOM 308 CD PRO A 19 31.824 46.836 19.962 1.00 0.00 C ATOM 0 HA PRO A 19 33.638 44.540 20.655 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.607 44.273 20.231 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.502 44.025 21.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.204 46.372 21.345 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.788 46.389 22.096 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.038 47.060 19.241 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.279 47.786 20.244 1.00 0.00 H new ATOM 316 N SER A 20 32.390 43.545 17.870 1.00 0.00 N ATOM 317 CA SER A 20 32.444 42.488 16.881 1.00 0.00 C ATOM 318 C SER A 20 33.842 42.206 16.327 1.00 0.00 C ATOM 319 O SER A 20 34.022 41.199 15.646 1.00 0.00 O ATOM 320 CB SER A 20 31.528 42.822 15.707 1.00 0.00 C ATOM 321 OG SER A 20 30.196 42.989 16.137 1.00 0.00 O ATOM 0 H SER A 20 31.993 44.412 17.507 1.00 0.00 H new ATOM 0 HA SER A 20 32.120 41.591 17.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.873 43.734 15.219 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.577 42.025 14.965 1.00 0.00 H new ATOM 0 HG SER A 20 29.628 43.204 15.368 1.00 0.00 H new ATOM 327 N ASP A 21 34.816 43.081 16.558 1.00 0.00 N ATOM 328 CA ASP A 21 36.114 43.036 15.916 1.00 0.00 C ATOM 329 C ASP A 21 37.034 41.949 16.476 1.00 0.00 C ATOM 330 O ASP A 21 36.912 41.531 17.626 1.00 0.00 O ATOM 331 CB ASP A 21 36.743 44.425 15.988 1.00 0.00 C ATOM 332 CG ASP A 21 37.840 44.680 14.954 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.543 45.706 15.075 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.969 43.925 13.965 1.00 0.00 O ATOM 0 H ASP A 21 34.717 43.857 17.213 1.00 0.00 H new ATOM 0 HA ASP A 21 35.971 42.755 14.873 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.959 45.172 15.859 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.160 44.570 16.985 1.00 0.00 H new ATOM 339 N THR A 22 37.982 41.488 15.665 1.00 0.00 N ATOM 340 CA THR A 22 38.954 40.473 16.016 1.00 0.00 C ATOM 341 C THR A 22 40.165 41.053 16.751 1.00 0.00 C ATOM 342 O THR A 22 40.637 42.146 16.443 1.00 0.00 O ATOM 343 CB THR A 22 39.439 39.674 14.810 1.00 0.00 C ATOM 344 OG1 THR A 22 39.915 40.500 13.772 1.00 0.00 O ATOM 345 CG2 THR A 22 38.355 38.773 14.224 1.00 0.00 C ATOM 0 H THR A 22 38.093 41.828 14.710 1.00 0.00 H new ATOM 0 HA THR A 22 38.422 39.798 16.687 1.00 0.00 H new ATOM 0 HB THR A 22 40.253 39.062 15.199 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.216 39.944 13.023 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.757 38.229 13.369 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.023 38.063 14.982 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.510 39.382 13.902 1.00 0.00 H new ATOM 353 N ILE A 23 40.743 40.265 17.652 1.00 0.00 N ATOM 354 CA ILE A 23 41.962 40.603 18.360 1.00 0.00 C ATOM 355 C ILE A 23 43.103 40.880 17.379 1.00 0.00 C ATOM 356 O ILE A 23 43.881 41.805 17.599 1.00 0.00 O ATOM 357 CB ILE A 23 42.293 39.500 19.359 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.315 39.463 20.530 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.726 39.552 19.880 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.436 40.582 21.559 1.00 0.00 C ATOM 0 H ILE A 23 40.364 39.354 17.912 1.00 0.00 H new ATOM 0 HA ILE A 23 41.817 41.525 18.924 1.00 0.00 H new ATOM 0 HB ILE A 23 42.191 38.577 18.788 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.302 39.479 20.128 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.438 38.511 21.046 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.886 38.737 20.585 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.420 39.452 19.046 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.896 40.505 20.382 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.687 40.442 22.338 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.431 40.561 22.004 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.277 41.544 21.071 1.00 0.00 H new ATOM 372 N GLU A 24 43.197 40.163 16.262 1.00 0.00 N ATOM 373 CA GLU A 24 44.250 40.348 15.284 1.00 0.00 C ATOM 374 C GLU A 24 44.124 41.647 14.485 1.00 0.00 C ATOM 375 O GLU A 24 45.140 42.282 14.210 1.00 0.00 O ATOM 376 CB GLU A 24 44.321 39.150 14.342 1.00 0.00 C ATOM 377 CG GLU A 24 44.693 37.866 15.075 1.00 0.00 C ATOM 378 CD GLU A 24 44.767 36.678 14.114 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.723 36.028 13.886 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.859 36.411 13.569 1.00 0.00 O ATOM 0 H GLU A 24 42.533 39.430 16.013 1.00 0.00 H new ATOM 0 HA GLU A 24 45.178 40.426 15.850 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.358 39.019 13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.055 39.347 13.561 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.654 37.994 15.572 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.957 37.662 15.852 1.00 0.00 H new ATOM 387 N ASN A 25 42.910 42.091 14.172 1.00 0.00 N ATOM 388 CA ASN A 25 42.700 43.390 13.563 1.00 0.00 C ATOM 389 C ASN A 25 43.028 44.528 14.531 1.00 0.00 C ATOM 390 O ASN A 25 43.599 45.540 14.133 1.00 0.00 O ATOM 391 CB ASN A 25 41.271 43.483 13.036 1.00 0.00 C ATOM 392 CG ASN A 25 41.039 44.775 12.249 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.766 45.107 11.316 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.024 45.556 12.611 1.00 0.00 N ATOM 0 H ASN A 25 42.054 41.561 14.334 1.00 0.00 H new ATOM 0 HA ASN A 25 43.386 43.498 12.723 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.063 42.625 12.396 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.572 43.435 13.871 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.850 46.430 12.114 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.420 45.281 13.386 1.00 0.00 H new ATOM 401 N VAL A 26 42.763 44.359 15.824 1.00 0.00 N ATOM 402 CA VAL A 26 43.200 45.306 16.831 1.00 0.00 C ATOM 403 C VAL A 26 44.720 45.291 17.001 1.00 0.00 C ATOM 404 O VAL A 26 45.314 46.364 17.076 1.00 0.00 O ATOM 405 CB VAL A 26 42.411 45.126 18.125 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.903 46.057 19.230 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.935 45.434 17.896 1.00 0.00 C ATOM 0 H VAL A 26 42.242 43.565 16.196 1.00 0.00 H new ATOM 0 HA VAL A 26 42.973 46.316 16.489 1.00 0.00 H new ATOM 0 HB VAL A 26 42.554 44.090 18.430 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.313 45.895 20.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.952 45.850 19.440 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.795 47.093 18.908 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.387 45.301 18.829 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.827 46.464 17.555 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.535 44.758 17.140 1.00 0.00 H new ATOM 417 N LYS A 27 45.394 44.147 16.916 1.00 0.00 N ATOM 418 CA LYS A 27 46.840 44.074 16.870 1.00 0.00 C ATOM 419 C LYS A 27 47.440 44.791 15.658 1.00 0.00 C ATOM 420 O LYS A 27 48.456 45.468 15.802 1.00 0.00 O ATOM 421 CB LYS A 27 47.333 42.633 16.957 1.00 0.00 C ATOM 422 CG LYS A 27 47.097 42.001 18.326 1.00 0.00 C ATOM 423 CD LYS A 27 47.425 40.514 18.429 1.00 0.00 C ATOM 424 CE LYS A 27 48.913 40.215 18.282 1.00 0.00 C ATOM 425 NZ LYS A 27 49.243 38.910 18.875 1.00 0.00 N ATOM 0 H LYS A 27 44.938 43.235 16.877 1.00 0.00 H new ATOM 0 HA LYS A 27 47.195 44.608 17.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.829 42.036 16.196 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.399 42.606 16.730 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.694 42.539 19.063 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.051 42.144 18.597 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.079 40.138 19.392 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.875 39.973 17.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.187 40.220 17.227 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.496 40.998 18.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.276 38.814 18.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.820 38.842 19.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.867 38.150 18.273 1.00 0.00 H new ATOM 439 N ALA A 28 46.800 44.725 14.495 1.00 0.00 N ATOM 440 CA ALA A 28 47.183 45.496 13.329 1.00 0.00 C ATOM 441 C ALA A 28 47.086 47.006 13.558 1.00 0.00 C ATOM 442 O ALA A 28 47.956 47.768 13.141 1.00 0.00 O ATOM 443 CB ALA A 28 46.288 45.115 12.152 1.00 0.00 C ATOM 0 H ALA A 28 45.990 44.125 14.339 1.00 0.00 H new ATOM 0 HA ALA A 28 48.227 45.262 13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.575 45.694 11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.401 44.052 11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.248 45.326 12.402 1.00 0.00 H new ATOM 449 N LYS A 29 46.040 47.439 14.255 1.00 0.00 N ATOM 450 CA LYS A 29 45.800 48.826 14.595 1.00 0.00 C ATOM 451 C LYS A 29 46.742 49.339 15.687 1.00 0.00 C ATOM 452 O LYS A 29 47.104 50.513 15.655 1.00 0.00 O ATOM 453 CB LYS A 29 44.318 48.987 14.924 1.00 0.00 C ATOM 454 CG LYS A 29 43.500 48.978 13.635 1.00 0.00 C ATOM 455 CD LYS A 29 41.999 49.128 13.863 1.00 0.00 C ATOM 456 CE LYS A 29 41.413 47.896 14.548 1.00 0.00 C ATOM 457 NZ LYS A 29 39.958 48.025 14.720 1.00 0.00 N ATOM 0 H LYS A 29 45.318 46.811 14.607 1.00 0.00 H new ATOM 0 HA LYS A 29 46.033 49.462 13.741 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.991 48.179 15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.155 49.920 15.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.844 49.787 12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.687 48.045 13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.809 50.011 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.499 49.287 12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.635 47.008 13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.886 47.758 15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.520 47.082 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.755 48.475 15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.568 48.609 13.953 1.00 0.00 H new ATOM 471 N ILE A 30 47.231 48.476 16.573 1.00 0.00 N ATOM 472 CA ILE A 30 48.309 48.772 17.494 1.00 0.00 C ATOM 473 C ILE A 30 49.642 48.921 16.760 1.00 0.00 C ATOM 474 O ILE A 30 50.395 49.841 17.073 1.00 0.00 O ATOM 475 CB ILE A 30 48.349 47.747 18.624 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.113 47.892 19.508 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.606 47.880 19.480 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.896 46.740 20.486 1.00 0.00 C ATOM 0 H ILE A 30 46.873 47.525 16.668 1.00 0.00 H new ATOM 0 HA ILE A 30 48.118 49.739 17.960 1.00 0.00 H new ATOM 0 HB ILE A 30 48.363 46.760 18.162 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.192 48.821 20.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.234 47.981 18.870 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.589 47.130 20.270 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.488 47.731 18.857 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.640 48.875 19.925 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.997 46.926 21.073 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.781 45.809 19.931 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.755 46.662 21.153 1.00 0.00 H new ATOM 490 N GLN A 31 49.930 48.119 15.739 1.00 0.00 N ATOM 491 CA GLN A 31 51.082 48.328 14.886 1.00 0.00 C ATOM 492 C GLN A 31 51.006 49.686 14.184 1.00 0.00 C ATOM 493 O GLN A 31 51.984 50.430 14.207 1.00 0.00 O ATOM 494 CB GLN A 31 51.245 47.180 13.895 1.00 0.00 C ATOM 495 CG GLN A 31 52.401 47.376 12.917 1.00 0.00 C ATOM 496 CD GLN A 31 52.515 46.252 11.885 1.00 0.00 C ATOM 497 OE1 GLN A 31 53.492 45.509 11.836 1.00 0.00 O ATOM 498 NE2 GLN A 31 51.526 46.089 11.011 1.00 0.00 N ATOM 0 H GLN A 31 49.367 47.307 15.485 1.00 0.00 H new ATOM 0 HA GLN A 31 51.973 48.340 15.513 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.401 46.253 14.448 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.319 47.063 13.332 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.272 48.326 12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.334 47.443 13.476 1.00 0.00 H new ATOM 0 HE21 GLN A 31 50.711 46.701 11.044 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.583 45.352 10.308 1.00 0.00 H new ATOM 507 N ASP A 32 49.859 50.043 13.614 1.00 0.00 N ATOM 508 CA ASP A 32 49.659 51.331 12.978 1.00 0.00 C ATOM 509 C ASP A 32 49.803 52.507 13.946 1.00 0.00 C ATOM 510 O ASP A 32 50.391 53.523 13.580 1.00 0.00 O ATOM 511 CB ASP A 32 48.290 51.335 12.306 1.00 0.00 C ATOM 512 CG ASP A 32 47.978 52.667 11.619 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.743 53.090 10.726 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.940 53.278 11.951 1.00 0.00 O ATOM 0 H ASP A 32 49.038 49.438 13.583 1.00 0.00 H new ATOM 0 HA ASP A 32 50.444 51.469 12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.248 50.532 11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.522 51.126 13.051 1.00 0.00 H new ATOM 519 N LYS A 33 49.302 52.382 15.172 1.00 0.00 N ATOM 520 CA LYS A 33 49.321 53.414 16.189 1.00 0.00 C ATOM 521 C LYS A 33 50.703 53.660 16.797 1.00 0.00 C ATOM 522 O LYS A 33 51.122 54.812 16.888 1.00 0.00 O ATOM 523 CB LYS A 33 48.269 53.059 17.236 1.00 0.00 C ATOM 524 CG LYS A 33 48.059 54.052 18.375 1.00 0.00 C ATOM 525 CD LYS A 33 47.732 55.471 17.917 1.00 0.00 C ATOM 526 CE LYS A 33 47.223 56.306 19.087 1.00 0.00 C ATOM 527 NZ LYS A 33 47.051 57.718 18.710 1.00 0.00 N ATOM 0 H LYS A 33 48.855 51.522 15.491 1.00 0.00 H new ATOM 0 HA LYS A 33 49.076 54.369 15.724 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.316 52.924 16.725 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.537 52.096 17.672 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.250 53.692 19.011 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.959 54.079 18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.621 55.936 17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.979 55.441 17.129 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.272 55.903 19.436 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.924 56.234 19.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.704 58.256 19.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.964 58.108 18.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.363 57.789 17.933 1.00 0.00 H new ATOM 541 N GLU A 34 51.399 52.607 17.215 1.00 0.00 N ATOM 542 CA GLU A 34 52.594 52.670 18.034 1.00 0.00 C ATOM 543 C GLU A 34 53.873 52.177 17.354 1.00 0.00 C ATOM 544 O GLU A 34 54.959 52.383 17.894 1.00 0.00 O ATOM 545 CB GLU A 34 52.340 51.879 19.313 1.00 0.00 C ATOM 546 CG GLU A 34 51.774 52.723 20.452 1.00 0.00 C ATOM 547 CD GLU A 34 52.865 53.538 21.150 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.801 52.936 21.718 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.804 54.786 21.156 1.00 0.00 O ATOM 0 H GLU A 34 51.131 51.651 16.980 1.00 0.00 H new ATOM 0 HA GLU A 34 52.779 53.725 18.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.647 51.066 19.096 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.275 51.423 19.640 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.011 53.396 20.061 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.285 52.073 21.178 1.00 0.00 H new ATOM 556 N GLY A 35 53.785 51.518 16.203 1.00 0.00 N ATOM 557 CA GLY A 35 54.936 50.984 15.502 1.00 0.00 C ATOM 558 C GLY A 35 55.474 49.663 16.056 1.00 0.00 C ATOM 559 O GLY A 35 56.645 49.360 15.845 1.00 0.00 O ATOM 0 H GLY A 35 52.899 51.340 15.729 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.670 50.840 14.455 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.735 51.725 15.529 1.00 0.00 H new ATOM 563 N ILE A 36 54.663 48.891 16.774 1.00 0.00 N ATOM 564 CA ILE A 36 55.014 47.615 17.365 1.00 0.00 C ATOM 565 C ILE A 36 54.323 46.504 16.571 1.00 0.00 C ATOM 566 O ILE A 36 53.098 46.427 16.631 1.00 0.00 O ATOM 567 CB ILE A 36 54.621 47.568 18.839 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.279 48.676 19.658 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.987 46.213 19.438 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.530 48.960 20.956 1.00 0.00 C ATOM 0 H ILE A 36 53.697 49.157 16.965 1.00 0.00 H new ATOM 0 HA ILE A 36 56.094 47.475 17.320 1.00 0.00 H new ATOM 0 HB ILE A 36 53.543 47.721 18.882 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.306 48.393 19.888 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.325 49.587 19.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.702 46.191 20.490 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.459 45.424 18.903 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.062 46.055 19.350 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.037 49.755 21.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.510 49.270 20.727 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.506 48.058 21.567 1.00 0.00 H new ATOM 582 N PRO A 37 55.020 45.646 15.831 1.00 0.00 N ATOM 583 CA PRO A 37 54.386 44.636 15.009 1.00 0.00 C ATOM 584 C PRO A 37 53.632 43.555 15.784 1.00 0.00 C ATOM 585 O PRO A 37 54.025 43.259 16.910 1.00 0.00 O ATOM 586 CB PRO A 37 55.493 44.019 14.157 1.00 0.00 C ATOM 587 CG PRO A 37 56.541 45.128 14.101 1.00 0.00 C ATOM 588 CD PRO A 37 56.426 45.738 15.495 1.00 0.00 C ATOM 0 HA PRO A 37 53.611 45.115 14.411 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.891 43.110 14.608 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.135 43.751 13.163 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.540 44.737 13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.326 45.855 13.318 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.040 45.196 16.215 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.766 46.774 15.502 1.00 0.00 H new ATOM 596 N PRO A 38 52.605 42.923 15.224 1.00 0.00 N ATOM 597 CA PRO A 38 51.771 41.968 15.927 1.00 0.00 C ATOM 598 C PRO A 38 52.518 40.799 16.574 1.00 0.00 C ATOM 599 O PRO A 38 52.125 40.349 17.648 1.00 0.00 O ATOM 600 CB PRO A 38 50.774 41.451 14.894 1.00 0.00 C ATOM 601 CG PRO A 38 50.637 42.622 13.925 1.00 0.00 C ATOM 602 CD PRO A 38 52.059 43.173 13.905 1.00 0.00 C ATOM 0 HA PRO A 38 51.303 42.475 16.771 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.141 40.555 14.393 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.819 41.192 15.351 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.309 42.300 12.937 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.916 43.361 14.275 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.656 42.682 13.136 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.061 44.239 13.678 1.00 0.00 H new ATOM 610 N ASP A 39 53.616 40.336 15.984 1.00 0.00 N ATOM 611 CA ASP A 39 54.435 39.265 16.516 1.00 0.00 C ATOM 612 C ASP A 39 55.260 39.655 17.744 1.00 0.00 C ATOM 613 O ASP A 39 55.697 38.761 18.466 1.00 0.00 O ATOM 614 CB ASP A 39 55.294 38.669 15.405 1.00 0.00 C ATOM 615 CG ASP A 39 56.132 39.704 14.653 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.572 40.391 13.772 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.354 39.803 14.896 1.00 0.00 O ATOM 0 H ASP A 39 53.965 40.708 15.101 1.00 0.00 H new ATOM 0 HA ASP A 39 53.753 38.500 16.887 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.959 37.919 15.834 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.647 38.153 14.695 1.00 0.00 H new ATOM 622 N GLN A 40 55.423 40.941 18.039 1.00 0.00 N ATOM 623 CA GLN A 40 56.064 41.445 19.237 1.00 0.00 C ATOM 624 C GLN A 40 55.089 41.780 20.367 1.00 0.00 C ATOM 625 O GLN A 40 55.507 41.952 21.509 1.00 0.00 O ATOM 626 CB GLN A 40 56.911 42.667 18.893 1.00 0.00 C ATOM 627 CG GLN A 40 58.159 42.326 18.084 1.00 0.00 C ATOM 628 CD GLN A 40 59.036 43.557 17.855 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.349 44.325 18.763 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.454 43.829 16.621 1.00 0.00 N ATOM 0 H GLN A 40 55.097 41.685 17.422 1.00 0.00 H new ATOM 0 HA GLN A 40 56.694 40.639 19.613 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.303 43.375 18.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.209 43.166 19.815 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.734 41.561 18.606 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.866 41.904 17.123 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.208 43.208 15.851 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.021 44.659 16.446 1.00 0.00 H new ATOM 639 N GLN A 41 53.793 41.868 20.081 1.00 0.00 N ATOM 640 CA GLN A 41 52.786 42.273 21.040 1.00 0.00 C ATOM 641 C GLN A 41 52.363 41.115 21.946 1.00 0.00 C ATOM 642 O GLN A 41 52.169 39.998 21.473 1.00 0.00 O ATOM 643 CB GLN A 41 51.562 42.838 20.325 1.00 0.00 C ATOM 644 CG GLN A 41 51.815 44.099 19.503 1.00 0.00 C ATOM 645 CD GLN A 41 50.590 44.497 18.677 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.443 44.214 19.020 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.756 45.165 17.539 1.00 0.00 N ATOM 0 H GLN A 41 53.413 41.655 19.159 1.00 0.00 H new ATOM 0 HA GLN A 41 53.231 43.047 21.665 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.158 42.069 19.666 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.795 43.056 21.068 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.086 44.918 20.169 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.663 43.935 18.838 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.694 45.415 17.227 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.945 45.427 16.979 1.00 0.00 H new ATOM 656 N ARG A 42 52.132 41.400 23.225 1.00 0.00 N ATOM 657 CA ARG A 42 51.402 40.588 24.179 1.00 0.00 C ATOM 658 C ARG A 42 50.391 41.485 24.896 1.00 0.00 C ATOM 659 O ARG A 42 50.713 42.630 25.204 1.00 0.00 O ATOM 660 CB ARG A 42 52.411 39.927 25.113 1.00 0.00 C ATOM 661 CG ARG A 42 51.815 39.072 26.228 1.00 0.00 C ATOM 662 CD ARG A 42 52.974 38.514 27.050 1.00 0.00 C ATOM 663 NE ARG A 42 52.527 37.744 28.211 1.00 0.00 N ATOM 664 CZ ARG A 42 53.198 37.646 29.366 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.404 38.196 29.566 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.700 36.975 30.414 1.00 0.00 N ATOM 0 H ARG A 42 52.475 42.264 23.645 1.00 0.00 H new ATOM 0 HA ARG A 42 50.836 39.787 23.704 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.076 39.303 24.517 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.025 40.706 25.565 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.152 39.668 26.855 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.216 38.262 25.811 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.591 37.879 26.415 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.604 39.337 27.387 1.00 0.00 H new ATOM 0 HE ARG A 42 51.640 37.246 28.135 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.856 38.721 28.817 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.870 38.090 30.467 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.788 36.523 30.344 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.233 36.916 31.282 1.00 0.00 H new ATOM 680 N LEU A 43 49.174 41.004 25.133 1.00 0.00 N ATOM 681 CA LEU A 43 48.060 41.823 25.567 1.00 0.00 C ATOM 682 C LEU A 43 47.381 41.263 26.818 1.00 0.00 C ATOM 683 O LEU A 43 47.048 40.080 26.856 1.00 0.00 O ATOM 684 CB LEU A 43 47.060 41.948 24.421 1.00 0.00 C ATOM 685 CG LEU A 43 47.542 42.743 23.211 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.524 42.618 22.080 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.703 44.227 23.527 1.00 0.00 C ATOM 0 H LEU A 43 48.936 40.018 25.026 1.00 0.00 H new ATOM 0 HA LEU A 43 48.443 42.807 25.836 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.787 40.946 24.090 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.153 42.416 24.803 1.00 0.00 H new ATOM 0 HG LEU A 43 48.511 42.334 22.925 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.869 43.186 21.216 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.413 41.569 21.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.562 43.009 22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.048 44.753 22.637 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.744 44.638 23.843 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.432 44.352 24.327 1.00 0.00 H new ATOM 699 N ILE A 44 47.162 42.118 27.813 1.00 0.00 N ATOM 700 CA ILE A 44 46.578 41.781 29.096 1.00 0.00 C ATOM 701 C ILE A 44 45.312 42.599 29.364 1.00 0.00 C ATOM 702 O ILE A 44 45.285 43.810 29.159 1.00 0.00 O ATOM 703 CB ILE A 44 47.589 41.952 30.226 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.959 41.321 29.990 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.009 41.470 31.552 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.004 39.803 29.826 1.00 0.00 C ATOM 0 H ILE A 44 47.399 43.107 27.738 1.00 0.00 H new ATOM 0 HA ILE A 44 46.293 40.730 29.060 1.00 0.00 H new ATOM 0 HB ILE A 44 47.775 43.026 30.259 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.390 41.771 29.096 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.605 41.591 30.826 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.748 41.602 32.342 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.116 42.048 31.790 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.747 40.415 31.473 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.034 39.485 29.665 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.614 39.328 30.726 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.396 39.511 28.970 1.00 0.00 H new ATOM 718 N PHE A 45 44.285 41.942 29.896 1.00 0.00 N ATOM 719 CA PHE A 45 43.046 42.509 30.389 1.00 0.00 C ATOM 720 C PHE A 45 42.774 41.999 31.807 1.00 0.00 C ATOM 721 O PHE A 45 42.417 40.837 31.987 1.00 0.00 O ATOM 722 CB PHE A 45 41.935 42.100 29.426 1.00 0.00 C ATOM 723 CG PHE A 45 40.527 42.517 29.779 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.243 43.791 30.284 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.473 41.622 29.554 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.924 44.169 30.559 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.152 41.994 29.833 1.00 0.00 C ATOM 728 CZ PHE A 45 37.873 43.275 30.324 1.00 0.00 C ATOM 0 H PHE A 45 44.304 40.927 29.998 1.00 0.00 H new ATOM 0 HA PHE A 45 43.101 43.596 30.439 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.172 42.509 28.444 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.952 41.014 29.332 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.048 44.488 30.463 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.681 40.637 29.162 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.717 45.153 30.953 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.348 41.292 29.669 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.853 43.572 30.520 1.00 0.00 H new ATOM 738 N ALA A 46 42.969 42.847 32.813 1.00 0.00 N ATOM 739 CA ALA A 46 42.833 42.542 34.223 1.00 0.00 C ATOM 740 C ALA A 46 43.505 41.225 34.614 1.00 0.00 C ATOM 741 O ALA A 46 42.859 40.259 35.017 1.00 0.00 O ATOM 742 CB ALA A 46 41.365 42.669 34.618 1.00 0.00 C ATOM 0 H ALA A 46 43.241 43.817 32.651 1.00 0.00 H new ATOM 0 HA ALA A 46 43.386 43.273 34.814 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.252 42.441 35.678 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.024 43.686 34.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.769 41.970 34.031 1.00 0.00 H new ATOM 748 N GLY A 47 44.816 41.144 34.405 1.00 0.00 N ATOM 749 CA GLY A 47 45.629 39.966 34.628 1.00 0.00 C ATOM 750 C GLY A 47 45.482 38.817 33.628 1.00 0.00 C ATOM 751 O GLY A 47 46.413 38.022 33.518 1.00 0.00 O ATOM 0 H GLY A 47 45.359 41.936 34.060 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.675 40.274 34.638 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.401 39.581 35.622 1.00 0.00 H new ATOM 755 N LYS A 48 44.397 38.727 32.865 1.00 0.00 N ATOM 756 CA LYS A 48 44.172 37.694 31.874 1.00 0.00 C ATOM 757 C LYS A 48 44.854 38.039 30.548 1.00 0.00 C ATOM 758 O LYS A 48 44.653 39.131 30.023 1.00 0.00 O ATOM 759 CB LYS A 48 42.673 37.482 31.682 1.00 0.00 C ATOM 760 CG LYS A 48 42.349 36.205 30.911 1.00 0.00 C ATOM 761 CD LYS A 48 40.842 36.048 30.730 1.00 0.00 C ATOM 762 CE LYS A 48 40.498 34.660 30.196 1.00 0.00 C ATOM 763 NZ LYS A 48 39.055 34.393 30.286 1.00 0.00 N ATOM 0 H LYS A 48 43.629 39.395 32.926 1.00 0.00 H new ATOM 0 HA LYS A 48 44.615 36.765 32.232 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.188 37.445 32.658 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.255 38.337 31.151 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.836 36.230 29.936 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.747 35.342 31.444 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.339 36.210 31.683 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.473 36.808 30.041 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.821 34.578 29.158 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.045 33.905 30.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.854 33.442 29.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.753 34.448 31.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.536 35.099 29.727 1.00 0.00 H new ATOM 777 N GLN A 49 45.619 37.116 29.972 1.00 0.00 N ATOM 778 CA GLN A 49 46.191 37.295 28.653 1.00 0.00 C ATOM 779 C GLN A 49 45.143 37.105 27.554 1.00 0.00 C ATOM 780 O GLN A 49 44.348 36.170 27.611 1.00 0.00 O ATOM 781 CB GLN A 49 47.391 36.369 28.481 1.00 0.00 C ATOM 782 CG GLN A 49 48.142 36.578 27.169 1.00 0.00 C ATOM 783 CD GLN A 49 49.259 35.543 27.025 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.369 35.718 27.524 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.979 34.398 26.407 1.00 0.00 N ATOM 0 H GLN A 49 45.856 36.226 30.411 1.00 0.00 H new ATOM 0 HA GLN A 49 46.543 38.322 28.557 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.079 36.522 29.312 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.052 35.335 28.535 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.451 36.496 26.330 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.562 37.583 27.139 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.058 34.254 25.993 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.686 33.665 26.347 1.00 0.00 H new ATOM 794 N LEU A 50 45.175 37.954 26.531 1.00 0.00 N ATOM 795 CA LEU A 50 44.322 37.867 25.363 1.00 0.00 C ATOM 796 C LEU A 50 44.955 37.007 24.266 1.00 0.00 C ATOM 797 O LEU A 50 46.144 37.110 23.971 1.00 0.00 O ATOM 798 CB LEU A 50 43.971 39.261 24.852 1.00 0.00 C ATOM 799 CG LEU A 50 43.361 40.214 25.876 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.951 41.518 25.199 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.118 39.638 26.550 1.00 0.00 C ATOM 0 H LEU A 50 45.818 38.745 26.497 1.00 0.00 H new ATOM 0 HA LEU A 50 43.396 37.373 25.657 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.876 39.719 24.453 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.273 39.157 24.021 1.00 0.00 H new ATOM 0 HG LEU A 50 44.128 40.379 26.632 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.517 42.191 25.938 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.827 41.987 24.752 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.215 41.309 24.422 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.727 40.359 27.268 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.359 39.429 25.796 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.379 38.715 27.068 1.00 0.00 H new ATOM 813 N GLU A 51 44.131 36.187 23.620 1.00 0.00 N ATOM 814 CA GLU A 51 44.509 35.242 22.587 1.00 0.00 C ATOM 815 C GLU A 51 44.003 35.679 21.211 1.00 0.00 C ATOM 816 O GLU A 51 42.909 36.222 21.076 1.00 0.00 O ATOM 817 CB GLU A 51 44.001 33.848 22.942 1.00 0.00 C ATOM 818 CG GLU A 51 44.455 33.312 24.297 1.00 0.00 C ATOM 819 CD GLU A 51 45.971 33.160 24.445 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.656 32.792 23.468 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.488 33.352 25.566 1.00 0.00 O ATOM 0 H GLU A 51 43.130 36.167 23.817 1.00 0.00 H new ATOM 0 HA GLU A 51 45.597 35.214 22.533 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.911 33.861 22.922 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.326 33.153 22.168 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.092 33.980 25.078 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.987 32.342 24.465 1.00 0.00 H new ATOM 828 N ASP A 52 44.790 35.420 20.171 1.00 0.00 N ATOM 829 CA ASP A 52 44.586 35.974 18.848 1.00 0.00 C ATOM 830 C ASP A 52 43.299 35.501 18.168 1.00 0.00 C ATOM 831 O ASP A 52 42.652 36.291 17.485 1.00 0.00 O ATOM 832 CB ASP A 52 45.815 35.716 17.980 1.00 0.00 C ATOM 833 CG ASP A 52 47.003 36.627 18.295 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.688 37.098 17.362 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.304 36.876 19.482 1.00 0.00 O ATOM 0 H ASP A 52 45.602 34.806 20.232 1.00 0.00 H new ATOM 0 HA ASP A 52 44.455 37.049 18.973 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.123 34.678 18.105 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.541 35.843 16.933 1.00 0.00 H new ATOM 840 N GLY A 53 42.860 34.266 18.392 1.00 0.00 N ATOM 841 CA GLY A 53 41.668 33.701 17.792 1.00 0.00 C ATOM 842 C GLY A 53 40.327 34.132 18.389 1.00 0.00 C ATOM 843 O GLY A 53 39.343 33.416 18.211 1.00 0.00 O ATOM 0 H GLY A 53 43.341 33.617 19.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.667 33.957 16.732 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.736 32.615 17.858 1.00 0.00 H new ATOM 847 N ARG A 54 40.255 35.243 19.116 1.00 0.00 N ATOM 848 CA ARG A 54 39.051 35.769 19.728 1.00 0.00 C ATOM 849 C ARG A 54 38.583 37.086 19.109 1.00 0.00 C ATOM 850 O ARG A 54 39.331 37.789 18.432 1.00 0.00 O ATOM 851 CB ARG A 54 39.264 35.917 21.231 1.00 0.00 C ATOM 852 CG ARG A 54 38.842 34.713 22.068 1.00 0.00 C ATOM 853 CD ARG A 54 39.753 33.493 21.960 1.00 0.00 C ATOM 854 NE ARG A 54 39.413 32.532 23.009 1.00 0.00 N ATOM 855 CZ ARG A 54 40.217 31.624 23.581 1.00 0.00 C ATOM 856 NH1 ARG A 54 41.436 31.324 23.112 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.832 30.955 24.676 1.00 0.00 N ATOM 0 H ARG A 54 41.074 35.823 19.299 1.00 0.00 H new ATOM 0 HA ARG A 54 38.252 35.052 19.538 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.320 36.115 21.414 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.711 36.791 21.576 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.792 35.017 23.113 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.834 34.421 21.773 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.643 33.030 20.979 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.796 33.796 22.054 1.00 0.00 H new ATOM 0 HE ARG A 54 38.450 32.555 23.345 1.00 0.00 H new ATOM 0 HH11 ARG A 54 41.793 31.795 22.281 1.00 0.00 H new ATOM 0 HH12 ARG A 54 42.007 30.624 23.586 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.915 31.133 25.087 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.455 30.267 25.099 1.00 0.00 H new ATOM 871 N THR A 55 37.338 37.449 19.409 1.00 0.00 N ATOM 872 CA THR A 55 36.776 38.769 19.208 1.00 0.00 C ATOM 873 C THR A 55 36.643 39.522 20.532 1.00 0.00 C ATOM 874 O THR A 55 36.686 38.914 21.599 1.00 0.00 O ATOM 875 CB THR A 55 35.431 38.710 18.486 1.00 0.00 C ATOM 876 OG1 THR A 55 34.429 38.118 19.283 1.00 0.00 O ATOM 877 CG2 THR A 55 35.499 37.949 17.166 1.00 0.00 C ATOM 0 H THR A 55 36.669 36.796 19.817 1.00 0.00 H new ATOM 0 HA THR A 55 37.470 39.317 18.571 1.00 0.00 H new ATOM 0 HB THR A 55 35.177 39.750 18.282 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.620 37.163 19.393 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.514 37.941 16.700 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.211 38.437 16.501 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.820 36.924 17.353 1.00 0.00 H new ATOM 885 N LEU A 56 36.446 40.837 20.501 1.00 0.00 N ATOM 886 CA LEU A 56 36.299 41.607 21.719 1.00 0.00 C ATOM 887 C LEU A 56 35.071 41.194 22.533 1.00 0.00 C ATOM 888 O LEU A 56 35.117 41.175 23.762 1.00 0.00 O ATOM 889 CB LEU A 56 36.292 43.102 21.408 1.00 0.00 C ATOM 890 CG LEU A 56 37.489 43.635 20.627 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.439 45.160 20.614 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.842 43.219 21.200 1.00 0.00 C ATOM 0 H LEU A 56 36.385 41.386 19.643 1.00 0.00 H new ATOM 0 HA LEU A 56 37.163 41.390 22.347 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.387 43.330 20.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.228 43.647 22.350 1.00 0.00 H new ATOM 0 HG LEU A 56 37.411 43.206 19.628 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.292 45.547 20.057 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.515 45.490 20.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.474 45.534 21.637 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.641 43.638 20.588 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.934 43.590 22.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.918 42.132 21.201 1.00 0.00 H new ATOM 904 N SER A 57 33.996 40.782 21.869 1.00 0.00 N ATOM 905 CA SER A 57 32.813 40.221 22.491 1.00 0.00 C ATOM 906 C SER A 57 33.073 38.907 23.231 1.00 0.00 C ATOM 907 O SER A 57 32.447 38.699 24.268 1.00 0.00 O ATOM 908 CB SER A 57 31.709 39.985 21.464 1.00 0.00 C ATOM 909 OG SER A 57 31.249 41.211 20.942 1.00 0.00 O ATOM 0 H SER A 57 33.927 40.833 20.853 1.00 0.00 H new ATOM 0 HA SER A 57 32.501 40.964 23.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.084 39.357 20.656 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.882 39.447 21.928 1.00 0.00 H new ATOM 0 HG SER A 57 31.806 41.471 20.178 1.00 0.00 H new ATOM 915 N ASP A 58 34.010 38.073 22.793 1.00 0.00 N ATOM 916 CA ASP A 58 34.402 36.872 23.501 1.00 0.00 C ATOM 917 C ASP A 58 35.034 37.164 24.863 1.00 0.00 C ATOM 918 O ASP A 58 35.010 36.308 25.744 1.00 0.00 O ATOM 919 CB ASP A 58 35.368 36.024 22.679 1.00 0.00 C ATOM 920 CG ASP A 58 34.746 35.421 21.417 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.840 34.571 21.554 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.181 35.772 20.299 1.00 0.00 O ATOM 0 H ASP A 58 34.522 38.219 21.923 1.00 0.00 H new ATOM 0 HA ASP A 58 33.477 36.318 23.665 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.222 36.638 22.393 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.750 35.217 23.305 1.00 0.00 H new ATOM 927 N TYR A 59 35.567 38.366 25.071 1.00 0.00 N ATOM 928 CA TYR A 59 36.078 38.835 26.342 1.00 0.00 C ATOM 929 C TYR A 59 35.119 39.768 27.086 1.00 0.00 C ATOM 930 O TYR A 59 35.457 40.221 28.178 1.00 0.00 O ATOM 931 CB TYR A 59 37.459 39.454 26.143 1.00 0.00 C ATOM 932 CG TYR A 59 38.528 38.460 25.754 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.983 37.532 26.698 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.069 38.478 24.462 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.966 36.600 26.349 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.077 37.570 24.117 1.00 0.00 C ATOM 937 CZ TYR A 59 40.510 36.608 25.049 1.00 0.00 C ATOM 938 OH TYR A 59 41.438 35.677 24.682 1.00 0.00 O ATOM 0 H TYR A 59 35.655 39.059 24.328 1.00 0.00 H new ATOM 0 HA TYR A 59 36.172 37.969 26.997 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.394 40.222 25.372 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.759 39.952 27.065 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.574 37.536 27.698 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.709 39.190 23.734 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.307 35.876 27.074 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.523 37.608 23.134 1.00 0.00 H new ATOM 0 HH TYR A 59 41.171 35.265 23.834 1.00 0.00 H new ATOM 948 N ASN A 60 33.922 40.025 26.570 1.00 0.00 N ATOM 949 CA ASN A 60 32.917 40.857 27.201 1.00 0.00 C ATOM 950 C ASN A 60 33.409 42.263 27.550 1.00 0.00 C ATOM 951 O ASN A 60 33.069 42.820 28.593 1.00 0.00 O ATOM 952 CB ASN A 60 32.293 40.083 28.359 1.00 0.00 C ATOM 953 CG ASN A 60 30.952 40.658 28.818 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.094 41.004 28.010 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.727 40.758 30.126 1.00 0.00 N ATOM 0 H ASN A 60 33.620 39.646 25.673 1.00 0.00 H new ATOM 0 HA ASN A 60 32.126 41.069 26.481 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.152 39.045 28.059 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.986 40.080 29.200 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.837 41.124 30.464 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.445 40.469 30.791 1.00 0.00 H new ATOM 962 N ILE A 61 34.254 42.831 26.694 1.00 0.00 N ATOM 963 CA ILE A 61 34.827 44.154 26.839 1.00 0.00 C ATOM 964 C ILE A 61 33.773 45.202 26.477 1.00 0.00 C ATOM 965 O ILE A 61 33.098 45.076 25.458 1.00 0.00 O ATOM 966 CB ILE A 61 36.089 44.279 25.990 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.163 43.296 26.449 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.650 45.699 26.027 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.310 43.112 25.460 1.00 0.00 C ATOM 0 H ILE A 61 34.567 42.357 25.847 1.00 0.00 H new ATOM 0 HA ILE A 61 35.125 44.323 27.874 1.00 0.00 H new ATOM 0 HB ILE A 61 35.805 44.042 24.965 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.570 43.639 27.400 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.698 42.327 26.632 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.548 45.752 25.412 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.905 46.395 25.641 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.898 45.966 27.054 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.028 42.398 25.864 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.918 42.737 24.514 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.804 44.069 25.294 1.00 0.00 H new ATOM 981 N GLN A 62 33.665 46.262 27.273 1.00 0.00 N ATOM 982 CA GLN A 62 32.789 47.389 27.024 1.00 0.00 C ATOM 983 C GLN A 62 33.513 48.736 27.079 1.00 0.00 C ATOM 984 O GLN A 62 34.696 48.810 27.406 1.00 0.00 O ATOM 985 CB GLN A 62 31.564 47.335 27.932 1.00 0.00 C ATOM 986 CG GLN A 62 31.812 47.690 29.395 1.00 0.00 C ATOM 987 CD GLN A 62 30.489 47.909 30.130 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.935 49.007 30.123 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.924 46.880 30.755 1.00 0.00 N ATOM 0 H GLN A 62 34.204 46.358 28.134 1.00 0.00 H new ATOM 0 HA GLN A 62 32.437 47.303 25.996 1.00 0.00 H new ATOM 0 HB2 GLN A 62 30.809 48.014 27.535 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.144 46.330 27.887 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.374 46.891 29.878 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.422 48.591 29.457 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.385 45.970 30.759 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.029 47.001 31.230 1.00 0.00 H new ATOM 998 N LYS A 63 32.774 49.808 26.806 1.00 0.00 N ATOM 999 CA LYS A 63 33.167 51.190 26.996 1.00 0.00 C ATOM 1000 C LYS A 63 33.897 51.464 28.313 1.00 0.00 C ATOM 1001 O LYS A 63 33.565 50.902 29.353 1.00 0.00 O ATOM 1002 CB LYS A 63 31.926 52.065 26.843 1.00 0.00 C ATOM 1003 CG LYS A 63 30.876 51.841 27.927 1.00 0.00 C ATOM 1004 CD LYS A 63 29.531 52.444 27.532 1.00 0.00 C ATOM 1005 CE LYS A 63 28.484 52.317 28.636 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.161 50.919 28.959 1.00 0.00 N ATOM 0 H LYS A 63 31.832 49.724 26.425 1.00 0.00 H new ATOM 0 HA LYS A 63 33.905 51.434 26.232 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.228 53.112 26.854 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.476 51.873 25.869 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.759 50.772 28.107 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.216 52.286 28.862 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.667 53.497 27.285 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.166 51.950 26.631 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.847 52.818 29.534 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.575 52.833 28.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.364 50.892 29.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.901 50.413 28.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.990 50.462 29.391 1.00 0.00 H new ATOM 1020 N GLU A 64 34.893 52.344 28.263 1.00 0.00 N ATOM 1021 CA GLU A 64 35.735 52.768 29.363 1.00 0.00 C ATOM 1022 C GLU A 64 36.614 51.685 29.992 1.00 0.00 C ATOM 1023 O GLU A 64 37.203 51.909 31.047 1.00 0.00 O ATOM 1024 CB GLU A 64 34.958 53.586 30.392 1.00 0.00 C ATOM 1025 CG GLU A 64 34.110 54.706 29.798 1.00 0.00 C ATOM 1026 CD GLU A 64 33.516 55.582 30.902 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.607 55.132 31.634 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.952 56.744 31.055 1.00 0.00 O ATOM 0 H GLU A 64 35.145 52.808 27.390 1.00 0.00 H new ATOM 0 HA GLU A 64 36.468 53.429 28.900 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.309 52.916 30.956 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.663 54.018 31.102 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.720 55.316 29.132 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.308 54.280 29.195 1.00 0.00 H new ATOM 1035 N SER A 65 36.775 50.528 29.356 1.00 0.00 N ATOM 1036 CA SER A 65 37.724 49.516 29.775 1.00 0.00 C ATOM 1037 C SER A 65 39.169 49.918 29.477 1.00 0.00 C ATOM 1038 O SER A 65 39.429 50.589 28.481 1.00 0.00 O ATOM 1039 CB SER A 65 37.449 48.170 29.110 1.00 0.00 C ATOM 1040 OG SER A 65 36.118 47.754 29.324 1.00 0.00 O ATOM 0 H SER A 65 36.241 50.269 28.526 1.00 0.00 H new ATOM 0 HA SER A 65 37.595 49.423 30.853 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.641 48.245 28.040 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.134 47.420 29.505 1.00 0.00 H new ATOM 0 HG SER A 65 35.589 47.920 28.516 1.00 0.00 H new ATOM 1046 N THR A 66 40.114 49.453 30.288 1.00 0.00 N ATOM 1047 CA THR A 66 41.541 49.597 30.073 1.00 0.00 C ATOM 1048 C THR A 66 42.167 48.248 29.712 1.00 0.00 C ATOM 1049 O THR A 66 41.817 47.226 30.296 1.00 0.00 O ATOM 1050 CB THR A 66 42.225 50.216 31.288 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.763 51.529 31.510 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.738 50.359 31.136 1.00 0.00 C ATOM 0 H THR A 66 39.893 48.946 31.145 1.00 0.00 H new ATOM 0 HA THR A 66 41.691 50.277 29.235 1.00 0.00 H new ATOM 0 HB THR A 66 41.988 49.532 32.103 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.213 51.906 32.295 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.154 50.806 32.039 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.183 49.376 30.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.959 50.997 30.280 1.00 0.00 H new ATOM 1060 N LEU A 67 43.121 48.244 28.784 1.00 0.00 N ATOM 1061 CA LEU A 67 43.964 47.128 28.405 1.00 0.00 C ATOM 1062 C LEU A 67 45.437 47.487 28.606 1.00 0.00 C ATOM 1063 O LEU A 67 45.785 48.665 28.628 1.00 0.00 O ATOM 1064 CB LEU A 67 43.712 46.761 26.944 1.00 0.00 C ATOM 1065 CG LEU A 67 42.276 46.417 26.560 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.192 46.135 25.063 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.775 45.177 27.294 1.00 0.00 C ATOM 0 H LEU A 67 43.335 49.082 28.243 1.00 0.00 H new ATOM 0 HA LEU A 67 43.722 46.273 29.036 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.040 47.595 26.323 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.344 45.909 26.694 1.00 0.00 H new ATOM 0 HG LEU A 67 41.658 47.272 26.835 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.164 45.890 24.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.511 47.017 24.508 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.841 45.296 24.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.749 44.966 26.993 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.409 44.326 27.045 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.809 45.352 28.369 1.00 0.00 H new ATOM 1079 N HIS A 68 46.320 46.496 28.703 1.00 0.00 N ATOM 1080 CA HIS A 68 47.741 46.700 28.902 1.00 0.00 C ATOM 1081 C HIS A 68 48.561 45.982 27.828 1.00 0.00 C ATOM 1082 O HIS A 68 48.314 44.814 27.533 1.00 0.00 O ATOM 1083 CB HIS A 68 48.155 46.276 30.308 1.00 0.00 C ATOM 1084 CG HIS A 68 47.237 46.719 31.414 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.398 47.839 32.227 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.094 46.065 31.796 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.338 47.873 33.039 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.543 46.812 32.818 1.00 0.00 N ATOM 0 H HIS A 68 46.056 45.512 28.644 1.00 0.00 H new ATOM 0 HA HIS A 68 47.949 47.765 28.803 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.229 45.189 30.334 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.152 46.668 30.508 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.703 45.148 31.380 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.147 48.644 33.770 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.681 46.596 33.319 1.00 0.00 H new ATOM 1096 N LEU A 69 49.542 46.675 27.256 1.00 0.00 N ATOM 1097 CA LEU A 69 50.432 46.174 26.229 1.00 0.00 C ATOM 1098 C LEU A 69 51.793 45.798 26.816 1.00 0.00 C ATOM 1099 O LEU A 69 52.371 46.547 27.601 1.00 0.00 O ATOM 1100 CB LEU A 69 50.540 47.228 25.131 1.00 0.00 C ATOM 1101 CG LEU A 69 51.484 46.909 23.974 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.079 45.675 23.176 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.519 48.089 23.007 1.00 0.00 C ATOM 0 H LEU A 69 49.742 47.642 27.511 1.00 0.00 H new ATOM 0 HA LEU A 69 50.031 45.258 25.796 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.544 47.399 24.722 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.862 48.164 25.587 1.00 0.00 H new ATOM 0 HG LEU A 69 52.457 46.714 24.425 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.796 45.511 22.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.065 44.805 23.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.086 45.825 22.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.193 47.862 22.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.517 48.271 22.619 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.872 48.978 23.530 1.00 0.00 H new ATOM 1115 N VAL A 70 52.317 44.644 26.410 1.00 0.00 N ATOM 1116 CA VAL A 70 53.551 44.041 26.873 1.00 0.00 C ATOM 1117 C VAL A 70 54.378 43.587 25.667 1.00 0.00 C ATOM 1118 O VAL A 70 53.825 43.160 24.656 1.00 0.00 O ATOM 1119 CB VAL A 70 53.236 42.892 27.826 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.487 42.232 28.397 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.392 43.338 29.016 1.00 0.00 C ATOM 0 H VAL A 70 51.856 44.073 25.702 1.00 0.00 H new ATOM 0 HA VAL A 70 54.145 44.768 27.427 1.00 0.00 H new ATOM 0 HB VAL A 70 52.686 42.180 27.211 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.198 41.423 29.067 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.091 41.831 27.583 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.068 42.970 28.950 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.196 42.483 29.663 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.929 44.102 29.577 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.447 43.747 28.659 1.00 0.00 H new ATOM 1131 N LEU A 71 55.701 43.676 25.764 1.00 0.00 N ATOM 1132 CA LEU A 71 56.637 43.219 24.756 1.00 0.00 C ATOM 1133 C LEU A 71 57.011 41.748 24.954 1.00 0.00 C ATOM 1134 O LEU A 71 57.237 41.312 26.080 1.00 0.00 O ATOM 1135 CB LEU A 71 57.851 44.144 24.778 1.00 0.00 C ATOM 1136 CG LEU A 71 58.926 43.882 23.726 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.398 44.024 22.301 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.066 44.883 23.893 1.00 0.00 C ATOM 0 H LEU A 71 56.162 44.084 26.578 1.00 0.00 H new ATOM 0 HA LEU A 71 56.174 43.266 23.770 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.501 45.169 24.660 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.314 44.077 25.763 1.00 0.00 H new ATOM 0 HG LEU A 71 59.264 42.857 23.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.203 43.827 21.593 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.590 43.310 22.139 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.023 45.036 22.151 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.831 44.692 23.140 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.682 45.896 23.771 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.501 44.777 24.887 1.00 0.00 H new ATOM 1150 N ARG A 72 57.126 40.998 23.862 1.00 0.00 N ATOM 1151 CA ARG A 72 57.722 39.680 23.779 1.00 0.00 C ATOM 1152 C ARG A 72 58.650 39.581 22.566 1.00 0.00 C ATOM 1153 O ARG A 72 58.404 40.231 21.552 1.00 0.00 O ATOM 1154 CB ARG A 72 56.661 38.583 23.779 1.00 0.00 C ATOM 1155 CG ARG A 72 55.531 38.766 22.768 1.00 0.00 C ATOM 1156 CD ARG A 72 54.593 37.564 22.720 1.00 0.00 C ATOM 1157 NE ARG A 72 55.048 36.531 21.789 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.399 35.263 22.042 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.535 34.728 23.264 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.638 34.447 21.007 1.00 0.00 N ATOM 0 H ARG A 72 56.782 41.320 22.957 1.00 0.00 H new ATOM 0 HA ARG A 72 58.329 39.527 24.671 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.149 37.628 23.584 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.227 38.521 24.777 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.960 39.659 23.023 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.956 38.931 21.778 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.507 37.135 23.718 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.597 37.897 22.429 1.00 0.00 H new ATOM 0 HE ARG A 72 55.106 36.816 20.811 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.367 35.299 24.092 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.807 33.750 23.365 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.551 34.795 20.052 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.907 33.477 21.174 1.00 0.00 H new ATOM 1174 N LEU A 73 59.697 38.765 22.649 1.00 0.00 N ATOM 1175 CA LEU A 73 60.784 38.688 21.695 1.00 0.00 C ATOM 1176 C LEU A 73 61.084 37.245 21.287 1.00 0.00 C ATOM 1177 O LEU A 73 62.180 36.732 21.503 1.00 0.00 O ATOM 1178 CB LEU A 73 62.005 39.423 22.241 1.00 0.00 C ATOM 1179 CG LEU A 73 61.821 40.916 22.503 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.067 41.485 23.176 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.581 41.718 21.228 1.00 0.00 C ATOM 0 H LEU A 73 59.810 38.110 23.423 1.00 0.00 H new ATOM 0 HA LEU A 73 60.483 39.190 20.775 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.307 38.945 23.173 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.827 39.296 21.537 1.00 0.00 H new ATOM 0 HG LEU A 73 60.942 41.005 23.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.927 42.550 23.359 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.235 40.973 24.123 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.930 41.339 22.527 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.458 42.772 21.479 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.434 41.602 20.559 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.680 41.355 20.734 1.00 0.00 H new ATOM 1193 N ARG A 74 60.076 36.580 20.728 1.00 0.00 N ATOM 1194 CA ARG A 74 60.072 35.202 20.279 1.00 0.00 C ATOM 1195 C ARG A 74 59.593 34.985 18.843 1.00 0.00 C ATOM 1196 O ARG A 74 59.653 33.849 18.376 1.00 0.00 O ATOM 1197 CB ARG A 74 59.255 34.359 21.255 1.00 0.00 C ATOM 1198 CG ARG A 74 60.055 34.010 22.506 1.00 0.00 C ATOM 1199 CD ARG A 74 59.264 33.021 23.356 1.00 0.00 C ATOM 1200 NE ARG A 74 60.095 32.463 24.423 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.865 31.370 24.326 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.929 30.612 23.224 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.633 30.985 25.354 1.00 0.00 N ATOM 0 H ARG A 74 59.175 37.031 20.568 1.00 0.00 H new ATOM 0 HA ARG A 74 61.115 34.885 20.267 1.00 0.00 H new ATOM 0 HB2 ARG A 74 58.354 34.902 21.539 1.00 0.00 H new ATOM 0 HB3 ARG A 74 58.932 33.442 20.762 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.016 33.579 22.227 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.265 34.913 23.080 1.00 0.00 H new ATOM 0 HD2 ARG A 74 58.397 33.520 23.789 1.00 0.00 H new ATOM 0 HD3 ARG A 74 58.886 32.216 22.726 1.00 0.00 H new ATOM 0 HE ARG A 74 60.088 32.949 25.320 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.374 30.857 22.404 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.533 29.790 23.205 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.635 31.525 26.219 1.00 0.00 H new ATOM 0 HH22 ARG A 74 62.216 30.152 25.271 1.00 0.00 H new ATOM 1217 N GLY A 75 59.158 36.017 18.126 1.00 0.00 N ATOM 1218 CA GLY A 75 58.699 35.937 16.753 1.00 0.00 C ATOM 1219 C GLY A 75 59.715 35.327 15.786 1.00 0.00 C ATOM 1220 O GLY A 75 59.324 34.587 14.886 1.00 0.00 O ATOM 0 H GLY A 75 59.116 36.964 18.504 1.00 0.00 H new ATOM 0 HA2 GLY A 75 57.784 35.345 16.722 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.443 36.939 16.409 1.00 0.00 H new ATOM 1224 N GLY A 76 61.009 35.524 16.026 1.00 0.00 N ATOM 1225 CA GLY A 76 62.098 34.810 15.389 1.00 0.00 C ATOM 1226 C GLY A 76 63.467 35.466 15.581 1.00 0.00 C ATOM 1227 O GLY A 76 64.477 34.728 15.573 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.537 36.708 15.700 1.00 0.00 O ATOM 0 H GLY A 76 61.335 36.217 16.700 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.134 33.795 15.784 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.891 34.729 14.322 1.00 0.00 H new TER 1232 GLY A 76