USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 107:sc= 1.39 USER MOD Set 1.2: A 9 THR OG1 : rot -101:sc= 1.2 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0216) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.32 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.099) 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 170:sc=-0.00542 USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.079 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.0784 USER MOD Single : A 25 ASN : amide:sc= 0.75 K(o=0.75,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.13 (180deg=-0.0432) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.29 (180deg=0.992) USER MOD Single : A 31 GLN : amide:sc= -0.789 K(o=-0.79,f=-0.038) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.415 (180deg=-0.359!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.336 K(o=-0.34,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.963 K(o=0.96,f=-7.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -130:sc= -0.682 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.404 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 62 GLN : amide:sc= -0.0698 K(o=-0.07,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 127:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.976 31.471 16.370 1.00 0.00 N ATOM 2 CA MET A 1 14.054 31.472 17.844 1.00 0.00 C ATOM 3 C MET A 1 15.497 31.814 18.215 1.00 0.00 C ATOM 4 O MET A 1 16.398 31.472 17.449 1.00 0.00 O ATOM 5 CB MET A 1 13.657 30.150 18.495 1.00 0.00 C ATOM 6 CG MET A 1 14.264 28.833 18.010 1.00 0.00 C ATOM 7 SD MET A 1 13.970 27.370 19.017 1.00 0.00 S ATOM 8 CE MET A 1 15.481 26.403 18.781 1.00 0.00 C ATOM 0 H1 MET A 1 13.053 31.095 16.071 1.00 0.00 H new ATOM 0 H2 MET A 1 14.085 32.443 16.016 1.00 0.00 H new ATOM 0 H3 MET A 1 14.735 30.874 15.983 1.00 0.00 H new ATOM 0 HA MET A 1 13.337 32.203 18.218 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.881 30.235 19.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.575 30.058 18.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.884 28.635 17.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.342 28.971 17.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.352 25.414 19.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.686 26.303 17.715 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.316 26.909 19.265 1.00 0.00 H new ATOM 20 N GLN A 2 15.727 32.360 19.401 1.00 0.00 N ATOM 21 CA GLN A 2 17.072 32.587 19.899 1.00 0.00 C ATOM 22 C GLN A 2 17.408 31.351 20.741 1.00 0.00 C ATOM 23 O GLN A 2 16.544 30.617 21.223 1.00 0.00 O ATOM 24 CB GLN A 2 17.041 33.755 20.884 1.00 0.00 C ATOM 25 CG GLN A 2 16.884 35.136 20.260 1.00 0.00 C ATOM 26 CD GLN A 2 16.292 36.170 21.205 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.472 37.352 20.943 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.599 35.800 22.284 1.00 0.00 N ATOM 0 H GLN A 2 14.989 32.656 20.040 1.00 0.00 H new ATOM 0 HA GLN A 2 17.769 32.777 19.083 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.220 33.596 21.583 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.963 33.741 21.466 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.859 35.484 19.919 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.248 35.056 19.378 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.460 34.810 22.486 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.209 36.507 22.907 1.00 0.00 H new ATOM 37 N ILE A 3 18.722 31.155 20.837 1.00 0.00 N ATOM 38 CA ILE A 3 19.432 30.359 21.811 1.00 0.00 C ATOM 39 C ILE A 3 20.600 31.203 22.318 1.00 0.00 C ATOM 40 O ILE A 3 21.088 32.138 21.685 1.00 0.00 O ATOM 41 CB ILE A 3 19.700 28.906 21.400 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.709 28.646 20.278 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.345 28.287 21.049 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.895 27.170 19.909 1.00 0.00 C ATOM 0 H ILE A 3 19.363 31.591 20.174 1.00 0.00 H new ATOM 0 HA ILE A 3 18.801 30.139 22.672 1.00 0.00 H new ATOM 0 HB ILE A 3 20.194 28.446 22.256 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.391 29.191 19.389 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.674 29.056 20.575 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.486 27.249 20.749 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.690 28.328 21.919 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.893 28.843 20.228 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.627 27.085 19.106 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.247 26.619 20.781 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.943 26.755 19.577 1.00 0.00 H new ATOM 56 N PHE A 4 21.120 30.889 23.504 1.00 0.00 N ATOM 57 CA PHE A 4 22.277 31.599 24.030 1.00 0.00 C ATOM 58 C PHE A 4 23.452 30.622 24.185 1.00 0.00 C ATOM 59 O PHE A 4 23.249 29.530 24.693 1.00 0.00 O ATOM 60 CB PHE A 4 21.962 32.229 25.387 1.00 0.00 C ATOM 61 CG PHE A 4 20.764 33.147 25.362 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.809 34.348 24.647 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.640 32.791 26.108 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.676 35.156 24.498 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.527 33.648 25.992 1.00 0.00 C ATOM 66 CZ PHE A 4 18.526 34.801 25.208 1.00 0.00 C ATOM 0 H PHE A 4 20.760 30.153 24.112 1.00 0.00 H new ATOM 0 HA PHE A 4 22.540 32.393 23.331 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.787 31.436 26.115 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.832 32.789 25.729 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.741 34.660 24.199 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.624 31.912 26.736 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.690 36.024 23.856 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.629 33.399 26.538 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.641 35.417 25.150 1.00 0.00 H new ATOM 76 N VAL A 5 24.562 31.031 23.589 1.00 0.00 N ATOM 77 CA VAL A 5 25.829 30.323 23.694 1.00 0.00 C ATOM 78 C VAL A 5 26.664 31.228 24.599 1.00 0.00 C ATOM 79 O VAL A 5 27.161 32.292 24.252 1.00 0.00 O ATOM 80 CB VAL A 5 26.268 30.212 22.244 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.769 30.046 21.995 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.461 29.113 21.560 1.00 0.00 C ATOM 0 H VAL A 5 24.609 31.872 23.013 1.00 0.00 H new ATOM 0 HA VAL A 5 25.864 29.323 24.126 1.00 0.00 H new ATOM 0 HB VAL A 5 26.058 31.186 21.801 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.955 29.978 20.923 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.303 30.905 22.402 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.120 29.136 22.482 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.771 29.028 20.519 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.634 28.165 22.069 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.400 29.360 21.603 1.00 0.00 H new ATOM 92 N LYS A 6 26.682 30.899 25.888 1.00 0.00 N ATOM 93 CA LYS A 6 27.250 31.706 26.961 1.00 0.00 C ATOM 94 C LYS A 6 28.702 31.420 27.351 1.00 0.00 C ATOM 95 O LYS A 6 29.050 30.248 27.473 1.00 0.00 O ATOM 96 CB LYS A 6 26.312 31.661 28.164 1.00 0.00 C ATOM 97 CG LYS A 6 26.197 33.028 28.836 1.00 0.00 C ATOM 98 CD LYS A 6 25.246 33.074 30.030 1.00 0.00 C ATOM 99 CE LYS A 6 24.659 34.474 30.255 1.00 0.00 C ATOM 100 NZ LYS A 6 23.472 34.270 31.108 1.00 0.00 N ATOM 0 H LYS A 6 26.283 30.023 26.227 1.00 0.00 H new ATOM 0 HA LYS A 6 27.323 32.716 26.558 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.325 31.327 27.845 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.678 30.930 28.885 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.188 33.340 29.166 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.864 33.755 28.095 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.435 32.363 29.873 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.778 32.757 30.927 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.382 35.130 30.739 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.387 34.942 29.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.022 35.187 31.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.796 33.648 30.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.761 33.830 32.005 1.00 0.00 H new ATOM 114 N THR A 7 29.635 32.362 27.408 1.00 0.00 N ATOM 115 CA THR A 7 31.008 32.295 27.852 1.00 0.00 C ATOM 116 C THR A 7 31.040 32.143 29.370 1.00 0.00 C ATOM 117 O THR A 7 30.212 32.793 30.001 1.00 0.00 O ATOM 118 CB THR A 7 31.786 33.460 27.233 1.00 0.00 C ATOM 119 OG1 THR A 7 31.894 34.517 28.174 1.00 0.00 O ATOM 120 CG2 THR A 7 31.402 34.013 25.864 1.00 0.00 C ATOM 0 H THR A 7 29.409 33.309 27.103 1.00 0.00 H new ATOM 0 HA THR A 7 31.536 31.410 27.497 1.00 0.00 H new ATOM 0 HB THR A 7 32.735 32.979 26.997 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.814 34.564 28.509 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.071 34.833 25.602 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.485 33.224 25.117 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.375 34.378 25.894 1.00 0.00 H new ATOM 128 N LEU A 8 32.070 31.483 29.896 1.00 0.00 N ATOM 129 CA LEU A 8 32.302 31.334 31.320 1.00 0.00 C ATOM 130 C LEU A 8 32.677 32.716 31.880 1.00 0.00 C ATOM 131 O LEU A 8 32.489 32.880 33.089 1.00 0.00 O ATOM 132 CB LEU A 8 33.491 30.381 31.455 1.00 0.00 C ATOM 133 CG LEU A 8 33.255 28.899 31.187 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.483 28.180 30.645 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.645 28.217 32.416 1.00 0.00 C ATOM 0 H LEU A 8 32.781 31.028 29.324 1.00 0.00 H new ATOM 0 HA LEU A 8 31.432 30.952 31.855 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.272 30.723 30.775 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.884 30.479 32.467 1.00 0.00 H new ATOM 0 HG LEU A 8 32.525 28.828 30.381 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.245 27.130 30.477 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.787 28.638 29.704 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.297 28.257 31.366 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.485 27.160 32.203 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.324 28.318 33.263 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.692 28.687 32.657 1.00 0.00 H new ATOM 147 N THR A 9 33.226 33.624 31.092 1.00 0.00 N ATOM 148 CA THR A 9 33.572 35.009 31.331 1.00 0.00 C ATOM 149 C THR A 9 32.422 36.022 31.237 1.00 0.00 C ATOM 150 O THR A 9 32.657 37.226 31.284 1.00 0.00 O ATOM 151 CB THR A 9 34.645 35.323 30.295 1.00 0.00 C ATOM 152 OG1 THR A 9 34.314 34.764 29.043 1.00 0.00 O ATOM 153 CG2 THR A 9 35.975 34.722 30.756 1.00 0.00 C ATOM 0 H THR A 9 33.472 33.366 30.136 1.00 0.00 H new ATOM 0 HA THR A 9 33.897 35.113 32.366 1.00 0.00 H new ATOM 0 HB THR A 9 34.721 36.406 30.194 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.826 33.940 28.907 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.748 34.942 30.020 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.255 35.153 31.717 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.870 33.642 30.860 1.00 0.00 H new ATOM 161 N GLY A 10 31.211 35.546 31.007 1.00 0.00 N ATOM 162 CA GLY A 10 29.949 36.150 31.370 1.00 0.00 C ATOM 163 C GLY A 10 29.354 36.837 30.132 1.00 0.00 C ATOM 164 O GLY A 10 28.298 37.450 30.257 1.00 0.00 O ATOM 0 H GLY A 10 31.079 34.658 30.524 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.263 35.392 31.747 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.094 36.875 32.171 1.00 0.00 H new ATOM 168 N LYS A 11 29.915 36.720 28.936 1.00 0.00 N ATOM 169 CA LYS A 11 29.414 37.343 27.726 1.00 0.00 C ATOM 170 C LYS A 11 28.598 36.277 27.006 1.00 0.00 C ATOM 171 O LYS A 11 28.808 35.081 27.210 1.00 0.00 O ATOM 172 CB LYS A 11 30.545 37.705 26.766 1.00 0.00 C ATOM 173 CG LYS A 11 31.368 38.927 27.194 1.00 0.00 C ATOM 174 CD LYS A 11 32.582 39.217 26.315 1.00 0.00 C ATOM 175 CE LYS A 11 33.598 38.074 26.368 1.00 0.00 C ATOM 176 NZ LYS A 11 34.868 38.556 25.804 1.00 0.00 N ATOM 0 H LYS A 11 30.759 36.170 28.780 1.00 0.00 H new ATOM 0 HA LYS A 11 28.859 38.242 27.995 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.212 36.848 26.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.122 37.894 25.779 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.719 39.803 27.195 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.706 38.780 28.220 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.259 39.371 25.285 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.056 40.142 26.642 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.741 37.741 27.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.233 37.216 25.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 35.572 37.791 25.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.719 38.854 24.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.212 39.363 26.362 1.00 0.00 H new ATOM 190 N THR A 12 27.691 36.792 26.180 1.00 0.00 N ATOM 191 CA THR A 12 26.773 35.984 25.410 1.00 0.00 C ATOM 192 C THR A 12 26.799 36.261 23.905 1.00 0.00 C ATOM 193 O THR A 12 26.668 37.394 23.446 1.00 0.00 O ATOM 194 CB THR A 12 25.373 36.217 25.964 1.00 0.00 C ATOM 195 OG1 THR A 12 25.452 36.205 27.376 1.00 0.00 O ATOM 196 CG2 THR A 12 24.397 35.101 25.623 1.00 0.00 C ATOM 0 H THR A 12 27.578 37.795 26.031 1.00 0.00 H new ATOM 0 HA THR A 12 27.084 34.944 25.511 1.00 0.00 H new ATOM 0 HB THR A 12 25.024 37.155 25.533 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.601 36.511 27.754 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.420 35.330 26.048 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.310 35.012 24.540 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.761 34.160 26.037 1.00 0.00 H new ATOM 204 N ILE A 13 26.932 35.191 23.126 1.00 0.00 N ATOM 205 CA ILE A 13 26.767 35.198 21.688 1.00 0.00 C ATOM 206 C ILE A 13 25.337 34.648 21.630 1.00 0.00 C ATOM 207 O ILE A 13 25.127 33.523 22.066 1.00 0.00 O ATOM 208 CB ILE A 13 27.735 34.212 21.031 1.00 0.00 C ATOM 209 CG1 ILE A 13 29.189 34.638 21.215 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.360 33.924 19.579 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.906 34.299 22.528 1.00 0.00 C ATOM 0 H ILE A 13 27.165 34.270 23.497 1.00 0.00 H new ATOM 0 HA ILE A 13 26.943 36.152 21.190 1.00 0.00 H new ATOM 0 HB ILE A 13 27.639 33.259 21.551 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.766 34.197 20.402 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.233 35.719 21.086 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.074 33.220 19.152 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.359 33.495 19.540 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.379 34.852 19.007 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.929 34.673 22.491 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.379 34.764 23.361 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.920 33.218 22.666 1.00 0.00 H new ATOM 223 N THR A 14 24.386 35.436 21.124 1.00 0.00 N ATOM 224 CA THR A 14 23.050 34.975 20.825 1.00 0.00 C ATOM 225 C THR A 14 22.961 34.578 19.355 1.00 0.00 C ATOM 226 O THR A 14 23.350 35.348 18.478 1.00 0.00 O ATOM 227 CB THR A 14 22.067 36.113 21.112 1.00 0.00 C ATOM 228 OG1 THR A 14 22.192 36.709 22.382 1.00 0.00 O ATOM 229 CG2 THR A 14 20.596 35.694 21.024 1.00 0.00 C ATOM 0 H THR A 14 24.535 36.422 20.912 1.00 0.00 H new ATOM 0 HA THR A 14 22.808 34.108 21.440 1.00 0.00 H new ATOM 0 HB THR A 14 22.340 36.821 20.329 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.609 36.246 23.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.960 36.552 21.239 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.382 35.326 20.020 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.398 34.905 21.749 1.00 0.00 H new ATOM 237 N LEU A 15 22.695 33.308 19.062 1.00 0.00 N ATOM 238 CA LEU A 15 22.569 32.729 17.733 1.00 0.00 C ATOM 239 C LEU A 15 21.094 32.799 17.357 1.00 0.00 C ATOM 240 O LEU A 15 20.224 32.769 18.224 1.00 0.00 O ATOM 241 CB LEU A 15 22.830 31.231 17.890 1.00 0.00 C ATOM 242 CG LEU A 15 24.139 30.760 18.520 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.325 29.247 18.382 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.412 31.421 17.993 1.00 0.00 C ATOM 0 H LEU A 15 22.553 32.614 19.796 1.00 0.00 H new ATOM 0 HA LEU A 15 23.227 33.226 17.020 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.014 30.817 18.483 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.764 30.782 16.899 1.00 0.00 H new ATOM 0 HG LEU A 15 24.019 31.064 19.560 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.268 28.953 18.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.502 28.732 18.879 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.337 28.977 17.326 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.278 31.009 18.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.505 31.230 16.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.363 32.496 18.167 1.00 0.00 H new ATOM 256 N GLU A 16 20.818 32.889 16.057 1.00 0.00 N ATOM 257 CA GLU A 16 19.539 33.092 15.406 1.00 0.00 C ATOM 258 C GLU A 16 19.126 31.780 14.727 1.00 0.00 C ATOM 259 O GLU A 16 19.467 31.461 13.589 1.00 0.00 O ATOM 260 CB GLU A 16 19.545 34.241 14.397 1.00 0.00 C ATOM 261 CG GLU A 16 19.732 35.613 15.049 1.00 0.00 C ATOM 262 CD GLU A 16 21.050 36.311 14.772 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.989 35.719 14.180 1.00 0.00 O ATOM 264 OE2 GLU A 16 21.270 37.418 15.291 1.00 0.00 O ATOM 0 H GLU A 16 21.567 32.813 15.369 1.00 0.00 H new ATOM 0 HA GLU A 16 18.817 33.378 16.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.344 34.077 13.674 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.607 34.234 13.842 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.923 36.264 14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.625 35.497 16.128 1.00 0.00 H new ATOM 271 N VAL A 17 18.533 30.879 15.503 1.00 0.00 N ATOM 272 CA VAL A 17 18.319 29.510 15.070 1.00 0.00 C ATOM 273 C VAL A 17 16.855 29.290 14.664 1.00 0.00 C ATOM 274 O VAL A 17 15.979 30.016 15.116 1.00 0.00 O ATOM 275 CB VAL A 17 18.724 28.507 16.147 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.228 28.661 16.367 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.952 28.659 17.463 1.00 0.00 C ATOM 0 H VAL A 17 18.191 31.079 16.443 1.00 0.00 H new ATOM 0 HA VAL A 17 18.955 29.342 14.201 1.00 0.00 H new ATOM 0 HB VAL A 17 18.472 27.505 15.800 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.558 27.959 17.133 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.755 28.456 15.435 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.446 29.679 16.690 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.298 27.911 18.176 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.122 29.655 17.871 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.887 28.519 17.278 1.00 0.00 H new ATOM 287 N GLU A 18 16.605 28.191 13.957 1.00 0.00 N ATOM 288 CA GLU A 18 15.354 27.502 13.693 1.00 0.00 C ATOM 289 C GLU A 18 15.261 26.170 14.455 1.00 0.00 C ATOM 290 O GLU A 18 16.308 25.625 14.786 1.00 0.00 O ATOM 291 CB GLU A 18 15.324 27.319 12.183 1.00 0.00 C ATOM 292 CG GLU A 18 15.006 28.539 11.316 1.00 0.00 C ATOM 293 CD GLU A 18 13.568 29.002 11.420 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.673 28.251 10.968 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.387 29.967 12.196 1.00 0.00 O ATOM 0 H GLU A 18 17.377 27.705 13.500 1.00 0.00 H new ATOM 0 HA GLU A 18 14.490 28.068 14.041 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.296 26.935 11.874 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.589 26.547 11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.664 29.359 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.228 28.302 10.275 1.00 0.00 H new ATOM 302 N PRO A 19 14.109 25.555 14.691 1.00 0.00 N ATOM 303 CA PRO A 19 14.088 24.338 15.483 1.00 0.00 C ATOM 304 C PRO A 19 14.679 23.126 14.777 1.00 0.00 C ATOM 305 O PRO A 19 14.984 22.104 15.400 1.00 0.00 O ATOM 306 CB PRO A 19 12.596 24.101 15.732 1.00 0.00 C ATOM 307 CG PRO A 19 11.864 24.736 14.552 1.00 0.00 C ATOM 308 CD PRO A 19 12.788 25.906 14.215 1.00 0.00 C ATOM 0 HA PRO A 19 14.694 24.458 16.381 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.376 23.035 15.799 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.282 24.551 16.674 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.756 24.045 13.716 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.862 25.069 14.822 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.802 26.089 13.141 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.438 26.823 14.690 1.00 0.00 H new ATOM 316 N SER A 20 14.711 23.242 13.448 1.00 0.00 N ATOM 317 CA SER A 20 15.112 22.355 12.377 1.00 0.00 C ATOM 318 C SER A 20 16.569 22.568 11.948 1.00 0.00 C ATOM 319 O SER A 20 17.032 21.837 11.076 1.00 0.00 O ATOM 320 CB SER A 20 14.091 22.517 11.261 1.00 0.00 C ATOM 321 OG SER A 20 13.915 23.790 10.681 1.00 0.00 O ATOM 0 H SER A 20 14.397 24.123 13.041 1.00 0.00 H new ATOM 0 HA SER A 20 15.110 21.316 12.708 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.362 21.825 10.463 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.125 22.194 11.648 1.00 0.00 H new ATOM 0 HG SER A 20 13.231 23.739 9.981 1.00 0.00 H new ATOM 327 N ASP A 21 17.328 23.469 12.560 1.00 0.00 N ATOM 328 CA ASP A 21 18.774 23.552 12.549 1.00 0.00 C ATOM 329 C ASP A 21 19.317 22.272 13.178 1.00 0.00 C ATOM 330 O ASP A 21 18.800 21.788 14.186 1.00 0.00 O ATOM 331 CB ASP A 21 19.253 24.814 13.284 1.00 0.00 C ATOM 332 CG ASP A 21 19.181 26.113 12.485 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.203 26.168 11.234 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.132 27.151 13.185 1.00 0.00 O ATOM 0 H ASP A 21 16.912 24.215 13.118 1.00 0.00 H new ATOM 0 HA ASP A 21 19.150 23.637 11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.658 24.933 14.190 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.285 24.659 13.599 1.00 0.00 H new ATOM 339 N THR A 22 20.393 21.744 12.599 1.00 0.00 N ATOM 340 CA THR A 22 21.217 20.661 13.098 1.00 0.00 C ATOM 341 C THR A 22 22.391 21.309 13.819 1.00 0.00 C ATOM 342 O THR A 22 22.655 22.506 13.779 1.00 0.00 O ATOM 343 CB THR A 22 21.653 19.910 11.841 1.00 0.00 C ATOM 344 OG1 THR A 22 22.368 20.664 10.877 1.00 0.00 O ATOM 345 CG2 THR A 22 20.476 19.307 11.074 1.00 0.00 C ATOM 0 H THR A 22 20.731 22.093 11.702 1.00 0.00 H new ATOM 0 HA THR A 22 20.728 19.978 13.793 1.00 0.00 H new ATOM 0 HB THR A 22 22.313 19.156 12.271 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.323 20.212 10.009 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.846 18.786 10.191 1.00 0.00 H new ATOM 0 HG22 THR A 22 19.946 18.603 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.796 20.102 10.768 1.00 0.00 H new ATOM 353 N ILE A 23 23.228 20.415 14.355 1.00 0.00 N ATOM 354 CA ILE A 23 24.531 20.543 14.963 1.00 0.00 C ATOM 355 C ILE A 23 25.472 21.014 13.852 1.00 0.00 C ATOM 356 O ILE A 23 26.392 21.801 14.100 1.00 0.00 O ATOM 357 CB ILE A 23 24.918 19.254 15.699 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.824 18.709 16.615 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.217 19.320 16.495 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.984 19.621 17.508 1.00 0.00 C ATOM 0 H ILE A 23 22.947 19.435 14.366 1.00 0.00 H new ATOM 0 HA ILE A 23 24.573 21.285 15.760 1.00 0.00 H new ATOM 0 HB ILE A 23 25.070 18.569 14.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.127 18.162 15.980 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.298 17.978 17.270 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.398 18.359 16.976 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.044 19.551 15.824 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.139 20.097 17.255 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.270 19.021 18.071 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.636 20.153 18.200 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.446 20.340 16.890 1.00 0.00 H new ATOM 372 N GLU A 24 25.334 20.618 12.594 1.00 0.00 N ATOM 373 CA GLU A 24 26.099 21.045 11.437 1.00 0.00 C ATOM 374 C GLU A 24 25.845 22.525 11.175 1.00 0.00 C ATOM 375 O GLU A 24 26.746 23.279 10.822 1.00 0.00 O ATOM 376 CB GLU A 24 25.694 20.222 10.213 1.00 0.00 C ATOM 377 CG GLU A 24 26.553 20.545 8.989 1.00 0.00 C ATOM 378 CD GLU A 24 26.422 19.605 7.799 1.00 0.00 C ATOM 379 OE1 GLU A 24 25.456 18.808 7.772 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.290 19.627 6.911 1.00 0.00 O ATOM 0 H GLU A 24 24.623 19.932 12.339 1.00 0.00 H new ATOM 0 HA GLU A 24 27.161 20.891 11.631 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.781 19.161 10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 24 24.646 20.412 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.307 21.553 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.598 20.558 9.300 1.00 0.00 H new ATOM 387 N ASN A 25 24.594 22.967 11.287 1.00 0.00 N ATOM 388 CA ASN A 25 24.284 24.367 11.068 1.00 0.00 C ATOM 389 C ASN A 25 24.695 25.213 12.273 1.00 0.00 C ATOM 390 O ASN A 25 25.289 26.257 12.009 1.00 0.00 O ATOM 391 CB ASN A 25 22.775 24.534 10.870 1.00 0.00 C ATOM 392 CG ASN A 25 22.312 24.730 9.439 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.017 24.303 8.524 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.161 25.371 9.237 1.00 0.00 N ATOM 0 H ASN A 25 23.793 22.381 11.525 1.00 0.00 H new ATOM 0 HA ASN A 25 24.832 24.697 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.275 23.654 11.276 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.443 25.389 11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.825 25.529 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.616 25.704 10.032 1.00 0.00 H new ATOM 401 N VAL A 26 24.518 24.866 13.542 1.00 0.00 N ATOM 402 CA VAL A 26 24.964 25.609 14.701 1.00 0.00 C ATOM 403 C VAL A 26 26.489 25.670 14.786 1.00 0.00 C ATOM 404 O VAL A 26 26.975 26.700 15.252 1.00 0.00 O ATOM 405 CB VAL A 26 24.418 24.960 15.973 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.890 25.385 17.371 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.903 25.148 16.022 1.00 0.00 C ATOM 0 H VAL A 26 24.030 24.008 13.798 1.00 0.00 H new ATOM 0 HA VAL A 26 24.587 26.627 14.603 1.00 0.00 H new ATOM 0 HB VAL A 26 24.817 23.955 15.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.372 24.793 18.126 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.964 25.222 17.457 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.670 26.442 17.524 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.508 24.687 16.927 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.668 26.212 16.025 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.450 24.679 15.149 1.00 0.00 H new ATOM 417 N LYS A 27 27.257 24.704 14.298 1.00 0.00 N ATOM 418 CA LYS A 27 28.690 24.744 14.039 1.00 0.00 C ATOM 419 C LYS A 27 29.198 25.907 13.191 1.00 0.00 C ATOM 420 O LYS A 27 30.106 26.663 13.529 1.00 0.00 O ATOM 421 CB LYS A 27 29.164 23.504 13.289 1.00 0.00 C ATOM 422 CG LYS A 27 29.573 22.367 14.219 1.00 0.00 C ATOM 423 CD LYS A 27 29.874 21.032 13.519 1.00 0.00 C ATOM 424 CE LYS A 27 30.380 19.945 14.459 1.00 0.00 C ATOM 425 NZ LYS A 27 30.595 18.685 13.730 1.00 0.00 N ATOM 0 H LYS A 27 26.860 23.797 14.053 1.00 0.00 H new ATOM 0 HA LYS A 27 29.085 24.836 15.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.368 23.158 12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.010 23.770 12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.457 22.675 14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.776 22.208 14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.969 20.679 13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.617 21.201 12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.312 20.265 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.660 19.788 15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.303 18.111 14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.699 18.159 13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.935 18.893 12.770 1.00 0.00 H new ATOM 439 N ALA A 28 28.453 26.105 12.103 1.00 0.00 N ATOM 440 CA ALA A 28 28.568 27.226 11.184 1.00 0.00 C ATOM 441 C ALA A 28 28.108 28.531 11.817 1.00 0.00 C ATOM 442 O ALA A 28 28.759 29.561 11.644 1.00 0.00 O ATOM 443 CB ALA A 28 27.746 26.919 9.928 1.00 0.00 C ATOM 0 H ALA A 28 27.718 25.453 11.830 1.00 0.00 H new ATOM 0 HA ALA A 28 29.618 27.356 10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.824 27.752 9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.127 26.013 9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.702 26.772 10.203 1.00 0.00 H new ATOM 449 N LYS A 29 26.984 28.552 12.538 1.00 0.00 N ATOM 450 CA LYS A 29 26.395 29.807 12.963 1.00 0.00 C ATOM 451 C LYS A 29 27.202 30.472 14.084 1.00 0.00 C ATOM 452 O LYS A 29 27.224 31.694 14.209 1.00 0.00 O ATOM 453 CB LYS A 29 24.950 29.640 13.435 1.00 0.00 C ATOM 454 CG LYS A 29 23.888 29.593 12.346 1.00 0.00 C ATOM 455 CD LYS A 29 22.474 29.164 12.746 1.00 0.00 C ATOM 456 CE LYS A 29 21.449 29.023 11.622 1.00 0.00 C ATOM 457 NZ LYS A 29 20.028 29.176 11.978 1.00 0.00 N ATOM 0 H LYS A 29 26.474 27.719 12.833 1.00 0.00 H new ATOM 0 HA LYS A 29 26.410 30.446 12.080 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.884 28.721 14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.713 30.463 14.109 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.823 30.585 11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.236 28.914 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.544 28.207 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.091 29.888 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.686 29.761 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.579 28.040 11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.451 29.176 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.736 28.386 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.892 30.074 12.485 1.00 0.00 H new ATOM 471 N ILE A 30 27.823 29.697 14.963 1.00 0.00 N ATOM 472 CA ILE A 30 28.763 30.199 15.954 1.00 0.00 C ATOM 473 C ILE A 30 30.014 30.727 15.244 1.00 0.00 C ATOM 474 O ILE A 30 30.490 31.797 15.615 1.00 0.00 O ATOM 475 CB ILE A 30 29.225 29.186 17.000 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.009 28.770 17.827 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.290 29.723 17.973 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.131 27.400 18.498 1.00 0.00 C ATOM 0 H ILE A 30 27.685 28.687 15.008 1.00 0.00 H new ATOM 0 HA ILE A 30 28.212 30.972 16.490 1.00 0.00 H new ATOM 0 HB ILE A 30 29.679 28.359 16.454 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.835 29.522 18.596 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.131 28.766 17.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.562 28.941 18.682 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.174 30.029 17.413 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.889 30.580 18.514 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.223 27.189 19.062 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.271 26.633 17.736 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.986 27.401 19.174 1.00 0.00 H new ATOM 490 N GLN A 31 30.477 30.001 14.240 1.00 0.00 N ATOM 491 CA GLN A 31 31.627 30.416 13.445 1.00 0.00 C ATOM 492 C GLN A 31 31.320 31.723 12.717 1.00 0.00 C ATOM 493 O GLN A 31 32.097 32.679 12.771 1.00 0.00 O ATOM 494 CB GLN A 31 32.096 29.274 12.541 1.00 0.00 C ATOM 495 CG GLN A 31 33.480 29.511 11.934 1.00 0.00 C ATOM 496 CD GLN A 31 33.515 30.092 10.528 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.558 30.264 9.900 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.403 30.387 9.847 1.00 0.00 N ATOM 0 H GLN A 31 30.070 29.111 13.952 1.00 0.00 H new ATOM 0 HA GLN A 31 32.475 30.634 14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.113 28.348 13.116 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.373 29.136 11.737 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.032 30.181 12.594 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.015 28.561 11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.490 30.275 10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.468 30.724 8.886 1.00 0.00 H new ATOM 507 N ASP A 32 30.095 31.899 12.258 1.00 0.00 N ATOM 508 CA ASP A 32 29.672 33.100 11.550 1.00 0.00 C ATOM 509 C ASP A 32 29.614 34.349 12.425 1.00 0.00 C ATOM 510 O ASP A 32 30.054 35.409 11.975 1.00 0.00 O ATOM 511 CB ASP A 32 28.297 32.812 10.938 1.00 0.00 C ATOM 512 CG ASP A 32 27.746 34.032 10.213 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.006 34.199 9.003 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.792 34.686 10.692 1.00 0.00 O ATOM 0 H ASP A 32 29.355 31.206 12.366 1.00 0.00 H new ATOM 0 HA ASP A 32 30.418 33.324 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.375 31.977 10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.604 32.509 11.723 1.00 0.00 H new ATOM 519 N LYS A 33 29.177 34.279 13.684 1.00 0.00 N ATOM 520 CA LYS A 33 29.317 35.383 14.603 1.00 0.00 C ATOM 521 C LYS A 33 30.783 35.617 14.969 1.00 0.00 C ATOM 522 O LYS A 33 31.131 36.788 15.055 1.00 0.00 O ATOM 523 CB LYS A 33 28.562 35.142 15.909 1.00 0.00 C ATOM 524 CG LYS A 33 27.036 35.019 15.838 1.00 0.00 C ATOM 525 CD LYS A 33 26.267 36.338 15.811 1.00 0.00 C ATOM 526 CE LYS A 33 24.803 36.262 15.388 1.00 0.00 C ATOM 527 NZ LYS A 33 23.910 37.369 15.769 1.00 0.00 N ATOM 0 H LYS A 33 28.721 33.458 14.082 1.00 0.00 H new ATOM 0 HA LYS A 33 28.903 36.250 14.088 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.951 34.228 16.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.801 35.959 16.590 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.777 34.450 14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.696 34.439 16.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.312 36.780 16.806 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.783 37.020 15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.775 36.170 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.386 35.342 15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.055 37.344 15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.642 37.271 16.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.401 38.275 15.630 1.00 0.00 H new ATOM 541 N GLU A 34 31.577 34.585 15.255 1.00 0.00 N ATOM 542 CA GLU A 34 32.630 34.807 16.230 1.00 0.00 C ATOM 543 C GLU A 34 33.939 34.180 15.754 1.00 0.00 C ATOM 544 O GLU A 34 34.907 34.146 16.505 1.00 0.00 O ATOM 545 CB GLU A 34 32.083 34.487 17.625 1.00 0.00 C ATOM 546 CG GLU A 34 33.086 34.420 18.774 1.00 0.00 C ATOM 547 CD GLU A 34 33.385 35.776 19.406 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.520 36.638 19.126 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.484 35.929 19.969 1.00 0.00 O ATOM 0 H GLU A 34 31.517 33.649 14.854 1.00 0.00 H new ATOM 0 HA GLU A 34 32.934 35.849 16.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.335 35.239 17.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.566 33.529 17.573 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.702 33.748 19.541 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.017 33.987 18.408 1.00 0.00 H new ATOM 556 N GLY A 35 34.016 33.768 14.489 1.00 0.00 N ATOM 557 CA GLY A 35 35.102 33.215 13.692 1.00 0.00 C ATOM 558 C GLY A 35 36.149 32.434 14.489 1.00 0.00 C ATOM 559 O GLY A 35 37.327 32.686 14.264 1.00 0.00 O ATOM 0 H GLY A 35 33.177 33.827 13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.679 32.557 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.600 34.030 13.166 1.00 0.00 H new ATOM 563 N ILE A 36 35.718 31.629 15.461 1.00 0.00 N ATOM 564 CA ILE A 36 36.521 30.525 15.941 1.00 0.00 C ATOM 565 C ILE A 36 36.101 29.312 15.099 1.00 0.00 C ATOM 566 O ILE A 36 34.904 29.042 15.122 1.00 0.00 O ATOM 567 CB ILE A 36 36.399 30.179 17.426 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.297 31.375 18.374 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.555 29.251 17.762 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.113 31.033 19.860 1.00 0.00 C ATOM 0 H ILE A 36 34.816 31.728 15.926 1.00 0.00 H new ATOM 0 HA ILE A 36 37.566 30.817 15.837 1.00 0.00 H new ATOM 0 HB ILE A 36 35.440 29.686 17.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.199 31.977 18.268 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.460 31.996 18.057 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.507 28.977 18.816 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.489 28.351 17.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.499 29.758 17.561 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.053 31.954 20.440 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.195 30.461 19.991 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.961 30.442 20.205 1.00 0.00 H new ATOM 582 N PRO A 37 37.021 28.695 14.365 1.00 0.00 N ATOM 583 CA PRO A 37 36.706 27.442 13.705 1.00 0.00 C ATOM 584 C PRO A 37 35.976 26.361 14.507 1.00 0.00 C ATOM 585 O PRO A 37 36.251 26.223 15.700 1.00 0.00 O ATOM 586 CB PRO A 37 37.985 26.957 13.024 1.00 0.00 C ATOM 587 CG PRO A 37 39.067 27.972 13.379 1.00 0.00 C ATOM 588 CD PRO A 37 38.412 29.060 14.227 1.00 0.00 C ATOM 0 HA PRO A 37 35.921 27.659 12.980 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.257 25.960 13.371 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.851 26.893 11.944 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.877 27.493 13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.503 28.400 12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.892 29.132 15.203 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.511 30.035 13.750 1.00 0.00 H new ATOM 596 N PRO A 38 35.102 25.630 13.819 1.00 0.00 N ATOM 597 CA PRO A 38 34.118 24.855 14.541 1.00 0.00 C ATOM 598 C PRO A 38 34.675 23.513 15.020 1.00 0.00 C ATOM 599 O PRO A 38 33.993 22.891 15.838 1.00 0.00 O ATOM 600 CB PRO A 38 32.939 24.751 13.569 1.00 0.00 C ATOM 601 CG PRO A 38 33.648 24.719 12.213 1.00 0.00 C ATOM 602 CD PRO A 38 34.848 25.635 12.395 1.00 0.00 C ATOM 0 HA PRO A 38 33.805 25.321 15.476 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.346 23.853 13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.262 25.601 13.656 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.956 23.707 11.949 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.995 25.072 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.711 25.272 11.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.636 26.641 12.034 1.00 0.00 H new ATOM 610 N ASP A 39 35.855 23.124 14.559 1.00 0.00 N ATOM 611 CA ASP A 39 36.650 21.978 14.955 1.00 0.00 C ATOM 612 C ASP A 39 37.438 22.258 16.235 1.00 0.00 C ATOM 613 O ASP A 39 37.843 21.304 16.899 1.00 0.00 O ATOM 614 CB ASP A 39 37.569 21.581 13.804 1.00 0.00 C ATOM 615 CG ASP A 39 38.809 22.431 13.535 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.767 23.679 13.470 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.796 21.876 13.019 1.00 0.00 O ATOM 0 H ASP A 39 36.322 23.658 13.826 1.00 0.00 H new ATOM 0 HA ASP A 39 35.984 21.144 15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.901 20.558 13.982 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.972 21.568 12.892 1.00 0.00 H new ATOM 622 N GLN A 40 37.576 23.524 16.620 1.00 0.00 N ATOM 623 CA GLN A 40 38.174 24.024 17.842 1.00 0.00 C ATOM 624 C GLN A 40 37.279 23.819 19.062 1.00 0.00 C ATOM 625 O GLN A 40 37.726 23.705 20.199 1.00 0.00 O ATOM 626 CB GLN A 40 38.590 25.471 17.607 1.00 0.00 C ATOM 627 CG GLN A 40 39.834 26.028 18.307 1.00 0.00 C ATOM 628 CD GLN A 40 41.168 25.429 17.881 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.494 25.816 16.754 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.862 24.648 18.707 1.00 0.00 N ATOM 0 H GLN A 40 37.242 24.286 16.030 1.00 0.00 H new ATOM 0 HA GLN A 40 39.066 23.446 18.086 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.736 25.597 16.534 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.747 26.102 17.890 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.871 27.104 18.136 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.719 25.880 19.381 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.477 24.400 19.618 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.779 24.298 18.428 1.00 0.00 H new ATOM 639 N GLN A 41 35.967 23.775 18.852 1.00 0.00 N ATOM 640 CA GLN A 41 34.879 23.812 19.813 1.00 0.00 C ATOM 641 C GLN A 41 34.348 22.443 20.227 1.00 0.00 C ATOM 642 O GLN A 41 34.341 21.501 19.434 1.00 0.00 O ATOM 643 CB GLN A 41 33.751 24.635 19.187 1.00 0.00 C ATOM 644 CG GLN A 41 34.161 26.015 18.661 1.00 0.00 C ATOM 645 CD GLN A 41 33.001 26.947 18.377 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.125 26.976 19.250 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.062 27.716 17.290 1.00 0.00 N ATOM 0 H GLN A 41 35.606 23.705 17.901 1.00 0.00 H new ATOM 0 HA GLN A 41 35.265 24.254 20.731 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.320 24.064 18.364 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.964 24.767 19.930 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.820 26.487 19.390 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.739 25.885 17.746 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.833 27.608 16.631 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.337 28.413 17.117 1.00 0.00 H new ATOM 656 N ARG A 42 33.915 22.434 21.492 1.00 0.00 N ATOM 657 CA ARG A 42 33.221 21.327 22.112 1.00 0.00 C ATOM 658 C ARG A 42 31.840 21.906 22.411 1.00 0.00 C ATOM 659 O ARG A 42 31.775 22.851 23.197 1.00 0.00 O ATOM 660 CB ARG A 42 33.935 20.872 23.384 1.00 0.00 C ATOM 661 CG ARG A 42 35.327 20.262 23.192 1.00 0.00 C ATOM 662 CD ARG A 42 36.068 20.066 24.515 1.00 0.00 C ATOM 663 NE ARG A 42 35.433 19.114 25.436 1.00 0.00 N ATOM 664 CZ ARG A 42 35.526 18.961 26.760 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.306 19.804 27.454 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.693 18.070 27.313 1.00 0.00 N ATOM 0 H ARG A 42 34.047 23.225 22.122 1.00 0.00 H new ATOM 0 HA ARG A 42 33.176 20.438 21.483 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.025 21.728 24.053 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.305 20.139 23.888 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.232 19.301 22.686 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.917 20.908 22.541 1.00 0.00 H new ATOM 0 HD2 ARG A 42 37.081 19.725 24.302 1.00 0.00 H new ATOM 0 HD3 ARG A 42 36.155 21.031 25.014 1.00 0.00 H new ATOM 0 HE ARG A 42 34.807 18.449 24.982 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.814 20.544 26.970 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.391 19.705 28.466 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.036 17.554 26.727 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.715 17.908 28.320 1.00 0.00 H new ATOM 680 N LEU A 43 30.783 21.367 21.814 1.00 0.00 N ATOM 681 CA LEU A 43 29.489 22.020 21.810 1.00 0.00 C ATOM 682 C LEU A 43 28.742 21.353 22.961 1.00 0.00 C ATOM 683 O LEU A 43 28.225 20.242 22.818 1.00 0.00 O ATOM 684 CB LEU A 43 28.792 21.828 20.462 1.00 0.00 C ATOM 685 CG LEU A 43 29.602 22.199 19.221 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.739 22.132 17.954 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.178 23.604 19.322 1.00 0.00 C ATOM 0 H LEU A 43 30.803 20.472 21.324 1.00 0.00 H new ATOM 0 HA LEU A 43 29.545 23.100 21.942 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.495 20.783 20.377 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.877 22.420 20.463 1.00 0.00 H new ATOM 0 HG LEU A 43 30.414 21.475 19.161 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.343 22.401 17.088 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.355 21.120 17.828 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.905 22.828 18.045 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.747 23.830 18.420 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.366 24.323 19.428 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.834 23.667 20.190 1.00 0.00 H new ATOM 699 N ILE A 44 28.674 21.936 24.160 1.00 0.00 N ATOM 700 CA ILE A 44 28.091 21.430 25.381 1.00 0.00 C ATOM 701 C ILE A 44 26.701 21.998 25.680 1.00 0.00 C ATOM 702 O ILE A 44 26.380 23.163 25.461 1.00 0.00 O ATOM 703 CB ILE A 44 29.138 21.464 26.491 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.251 20.481 26.116 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.506 21.318 27.877 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.441 20.396 27.069 1.00 0.00 C ATOM 0 H ILE A 44 29.068 22.866 24.302 1.00 0.00 H new ATOM 0 HA ILE A 44 27.834 20.377 25.271 1.00 0.00 H new ATOM 0 HB ILE A 44 29.616 22.440 26.576 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.812 19.487 26.030 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.625 20.751 25.128 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.286 21.347 28.638 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.805 22.135 28.045 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.976 20.367 27.937 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.158 19.666 26.692 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.921 21.372 27.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.095 20.089 28.056 1.00 0.00 H new ATOM 718 N PHE A 45 25.788 21.235 26.280 1.00 0.00 N ATOM 719 CA PHE A 45 24.529 21.629 26.887 1.00 0.00 C ATOM 720 C PHE A 45 24.226 20.573 27.956 1.00 0.00 C ATOM 721 O PHE A 45 24.333 19.386 27.639 1.00 0.00 O ATOM 722 CB PHE A 45 23.425 21.824 25.849 1.00 0.00 C ATOM 723 CG PHE A 45 21.944 21.886 26.145 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.412 23.106 26.578 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.083 20.833 25.801 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.040 23.260 26.794 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.713 20.976 26.025 1.00 0.00 C ATOM 728 CZ PHE A 45 19.197 22.168 26.534 1.00 0.00 C ATOM 0 H PHE A 45 25.931 20.228 26.358 1.00 0.00 H new ATOM 0 HA PHE A 45 24.592 22.610 27.358 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.664 22.754 25.332 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.550 21.017 25.127 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.073 23.943 26.748 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.475 19.924 25.369 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.638 24.196 27.152 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.046 20.156 25.802 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.138 22.252 26.730 1.00 0.00 H new ATOM 738 N ALA A 46 24.050 21.008 29.199 1.00 0.00 N ATOM 739 CA ALA A 46 23.578 20.204 30.301 1.00 0.00 C ATOM 740 C ALA A 46 24.579 19.210 30.891 1.00 0.00 C ATOM 741 O ALA A 46 24.191 18.183 31.448 1.00 0.00 O ATOM 742 CB ALA A 46 22.152 19.662 30.275 1.00 0.00 C ATOM 0 H ALA A 46 24.243 21.973 29.469 1.00 0.00 H new ATOM 0 HA ALA A 46 23.492 21.020 31.019 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.967 19.081 31.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.448 20.493 30.227 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.021 19.024 29.401 1.00 0.00 H new ATOM 748 N GLY A 47 25.892 19.422 30.782 1.00 0.00 N ATOM 749 CA GLY A 47 27.003 18.584 31.165 1.00 0.00 C ATOM 750 C GLY A 47 27.456 17.637 30.049 1.00 0.00 C ATOM 751 O GLY A 47 28.342 16.839 30.322 1.00 0.00 O ATOM 0 H GLY A 47 26.229 20.293 30.372 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.841 19.215 31.460 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.723 17.997 32.040 1.00 0.00 H new ATOM 755 N LYS A 48 26.990 17.690 28.809 1.00 0.00 N ATOM 756 CA LYS A 48 27.133 16.693 27.760 1.00 0.00 C ATOM 757 C LYS A 48 27.523 17.475 26.508 1.00 0.00 C ATOM 758 O LYS A 48 27.076 18.608 26.367 1.00 0.00 O ATOM 759 CB LYS A 48 25.934 15.760 27.637 1.00 0.00 C ATOM 760 CG LYS A 48 25.872 14.760 28.793 1.00 0.00 C ATOM 761 CD LYS A 48 24.643 13.836 28.747 1.00 0.00 C ATOM 762 CE LYS A 48 24.649 13.067 30.067 1.00 0.00 C ATOM 763 NZ LYS A 48 23.492 12.164 30.164 1.00 0.00 N ATOM 0 H LYS A 48 26.459 18.498 28.486 1.00 0.00 H new ATOM 0 HA LYS A 48 27.914 15.966 27.983 1.00 0.00 H new ATOM 0 HB2 LYS A 48 25.016 16.348 27.615 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.989 15.220 26.692 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.775 14.150 28.782 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.869 15.308 29.735 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.725 14.412 28.635 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.698 13.155 27.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.571 12.491 30.151 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.635 13.770 30.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.523 11.656 31.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.614 12.718 30.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.520 11.479 29.382 1.00 0.00 H new ATOM 777 N GLN A 49 28.280 16.837 25.625 1.00 0.00 N ATOM 778 CA GLN A 49 28.744 17.299 24.329 1.00 0.00 C ATOM 779 C GLN A 49 27.668 16.940 23.293 1.00 0.00 C ATOM 780 O GLN A 49 27.341 15.764 23.274 1.00 0.00 O ATOM 781 CB GLN A 49 30.011 16.495 24.037 1.00 0.00 C ATOM 782 CG GLN A 49 31.230 17.090 24.735 1.00 0.00 C ATOM 783 CD GLN A 49 32.586 16.422 24.665 1.00 0.00 C ATOM 784 OE1 GLN A 49 33.595 16.827 25.238 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.665 15.393 23.829 1.00 0.00 N ATOM 0 H GLN A 49 28.615 15.893 25.820 1.00 0.00 H new ATOM 0 HA GLN A 49 28.934 18.372 24.302 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.871 15.465 24.364 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.185 16.468 22.961 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.355 18.101 24.347 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.977 17.182 25.791 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.828 15.057 23.353 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.563 14.939 23.663 1.00 0.00 H new ATOM 794 N LEU A 50 27.169 17.854 22.458 1.00 0.00 N ATOM 795 CA LEU A 50 26.149 17.587 21.463 1.00 0.00 C ATOM 796 C LEU A 50 26.626 16.674 20.336 1.00 0.00 C ATOM 797 O LEU A 50 27.712 16.843 19.782 1.00 0.00 O ATOM 798 CB LEU A 50 25.501 18.904 21.038 1.00 0.00 C ATOM 799 CG LEU A 50 24.891 19.698 22.196 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.459 21.075 21.700 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.740 18.944 22.846 1.00 0.00 C ATOM 0 H LEU A 50 27.478 18.826 22.462 1.00 0.00 H new ATOM 0 HA LEU A 50 25.355 16.986 21.906 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.249 19.522 20.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.723 18.694 20.304 1.00 0.00 H new ATOM 0 HG LEU A 50 25.648 19.830 22.969 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.025 21.639 22.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.325 21.610 21.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.718 20.961 20.909 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.332 19.538 23.664 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.961 18.761 22.106 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.102 17.992 23.235 1.00 0.00 H new ATOM 813 N GLU A 51 25.791 15.682 20.013 1.00 0.00 N ATOM 814 CA GLU A 51 25.848 14.593 19.062 1.00 0.00 C ATOM 815 C GLU A 51 25.403 15.158 17.705 1.00 0.00 C ATOM 816 O GLU A 51 24.331 15.717 17.491 1.00 0.00 O ATOM 817 CB GLU A 51 24.809 13.533 19.399 1.00 0.00 C ATOM 818 CG GLU A 51 25.158 12.156 18.849 1.00 0.00 C ATOM 819 CD GLU A 51 24.013 11.174 19.028 1.00 0.00 C ATOM 820 OE1 GLU A 51 23.238 11.181 20.015 1.00 0.00 O ATOM 821 OE2 GLU A 51 23.747 10.325 18.155 1.00 0.00 O ATOM 0 H GLU A 51 24.903 15.630 20.513 1.00 0.00 H new ATOM 0 HA GLU A 51 26.853 14.172 19.067 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.703 13.469 20.482 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.842 13.842 19.002 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.405 12.239 17.791 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.046 11.776 19.355 1.00 0.00 H new ATOM 828 N ASP A 52 26.310 14.948 16.757 1.00 0.00 N ATOM 829 CA ASP A 52 26.208 15.458 15.398 1.00 0.00 C ATOM 830 C ASP A 52 25.176 14.615 14.654 1.00 0.00 C ATOM 831 O ASP A 52 25.386 13.410 14.583 1.00 0.00 O ATOM 832 CB ASP A 52 27.495 15.251 14.600 1.00 0.00 C ATOM 833 CG ASP A 52 28.514 16.343 14.932 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.396 17.481 14.431 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.510 15.948 15.582 1.00 0.00 O ATOM 0 H ASP A 52 27.158 14.404 16.919 1.00 0.00 H new ATOM 0 HA ASP A 52 25.967 16.518 15.475 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.916 14.272 14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.274 15.264 13.533 1.00 0.00 H new ATOM 840 N GLY A 53 24.128 15.206 14.094 1.00 0.00 N ATOM 841 CA GLY A 53 23.043 14.533 13.406 1.00 0.00 C ATOM 842 C GLY A 53 21.699 14.530 14.132 1.00 0.00 C ATOM 843 O GLY A 53 20.956 13.583 13.849 1.00 0.00 O ATOM 0 H GLY A 53 24.010 16.219 14.110 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.908 15.003 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.339 13.500 13.223 1.00 0.00 H new ATOM 847 N ARG A 54 21.324 15.521 14.933 1.00 0.00 N ATOM 848 CA ARG A 54 20.006 15.700 15.509 1.00 0.00 C ATOM 849 C ARG A 54 19.651 17.186 15.459 1.00 0.00 C ATOM 850 O ARG A 54 20.524 18.047 15.467 1.00 0.00 O ATOM 851 CB ARG A 54 20.033 15.125 16.926 1.00 0.00 C ATOM 852 CG ARG A 54 20.530 13.728 17.297 1.00 0.00 C ATOM 853 CD ARG A 54 20.338 13.445 18.779 1.00 0.00 C ATOM 854 NE ARG A 54 20.834 12.099 19.063 1.00 0.00 N ATOM 855 CZ ARG A 54 20.186 10.942 19.284 1.00 0.00 C ATOM 856 NH1 ARG A 54 18.864 10.740 19.212 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.896 9.863 19.640 1.00 0.00 N ATOM 0 H ARG A 54 21.971 16.259 15.210 1.00 0.00 H new ATOM 0 HA ARG A 54 19.230 15.172 14.955 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.626 15.821 17.520 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.008 15.185 17.293 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.994 12.982 16.710 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.586 13.636 17.041 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.875 14.181 19.378 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.284 13.525 19.046 1.00 0.00 H new ATOM 0 HE ARG A 54 21.851 12.025 19.100 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.243 11.511 18.968 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.478 9.815 19.401 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.909 9.929 19.739 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.423 8.976 19.812 1.00 0.00 H new ATOM 871 N THR A 55 18.370 17.488 15.266 1.00 0.00 N ATOM 872 CA THR A 55 17.879 18.855 15.166 1.00 0.00 C ATOM 873 C THR A 55 17.750 19.448 16.570 1.00 0.00 C ATOM 874 O THR A 55 17.585 18.703 17.534 1.00 0.00 O ATOM 875 CB THR A 55 16.649 18.938 14.281 1.00 0.00 C ATOM 876 OG1 THR A 55 15.636 18.127 14.852 1.00 0.00 O ATOM 877 CG2 THR A 55 16.989 18.564 12.833 1.00 0.00 C ATOM 0 H THR A 55 17.639 16.783 15.174 1.00 0.00 H new ATOM 0 HA THR A 55 18.595 19.493 14.648 1.00 0.00 H new ATOM 0 HB THR A 55 16.276 19.961 14.232 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.831 18.169 14.295 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.091 18.631 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.744 19.249 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.374 17.545 12.801 1.00 0.00 H new ATOM 885 N LEU A 56 17.796 20.770 16.742 1.00 0.00 N ATOM 886 CA LEU A 56 17.683 21.366 18.052 1.00 0.00 C ATOM 887 C LEU A 56 16.575 20.887 18.997 1.00 0.00 C ATOM 888 O LEU A 56 16.874 20.438 20.094 1.00 0.00 O ATOM 889 CB LEU A 56 17.594 22.882 17.899 1.00 0.00 C ATOM 890 CG LEU A 56 18.917 23.624 17.687 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.819 25.072 17.233 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.016 23.506 18.753 1.00 0.00 C ATOM 0 H LEU A 56 17.911 21.440 15.982 1.00 0.00 H new ATOM 0 HA LEU A 56 18.587 21.022 18.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.940 23.102 17.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.114 23.288 18.789 1.00 0.00 H new ATOM 0 HG LEU A 56 19.250 23.011 16.850 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.821 25.486 17.119 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.296 25.119 16.278 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.270 25.650 17.976 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.884 24.091 18.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.641 23.882 19.705 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.304 22.461 18.864 1.00 0.00 H new ATOM 904 N SER A 57 15.335 21.129 18.567 1.00 0.00 N ATOM 905 CA SER A 57 14.111 20.924 19.314 1.00 0.00 C ATOM 906 C SER A 57 13.759 19.474 19.629 1.00 0.00 C ATOM 907 O SER A 57 13.252 19.173 20.714 1.00 0.00 O ATOM 908 CB SER A 57 12.986 21.539 18.473 1.00 0.00 C ATOM 909 OG SER A 57 13.053 22.931 18.312 1.00 0.00 O ATOM 0 H SER A 57 15.158 21.495 17.632 1.00 0.00 H new ATOM 0 HA SER A 57 14.247 21.389 20.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.996 21.074 17.487 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.031 21.288 18.934 1.00 0.00 H new ATOM 0 HG SER A 57 12.184 23.328 18.529 1.00 0.00 H new ATOM 915 N ASP A 58 13.924 18.535 18.705 1.00 0.00 N ATOM 916 CA ASP A 58 13.811 17.100 18.931 1.00 0.00 C ATOM 917 C ASP A 58 14.648 16.598 20.106 1.00 0.00 C ATOM 918 O ASP A 58 14.246 15.801 20.942 1.00 0.00 O ATOM 919 CB ASP A 58 13.950 16.357 17.602 1.00 0.00 C ATOM 920 CG ASP A 58 14.147 14.849 17.606 1.00 0.00 C ATOM 921 OD1 ASP A 58 13.185 14.163 18.017 1.00 0.00 O ATOM 922 OD2 ASP A 58 15.199 14.354 17.156 1.00 0.00 O ATOM 0 H ASP A 58 14.150 18.763 17.737 1.00 0.00 H new ATOM 0 HA ASP A 58 12.809 16.862 19.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.057 16.568 17.014 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.794 16.796 17.069 1.00 0.00 H new ATOM 927 N TYR A 59 15.894 17.065 20.094 1.00 0.00 N ATOM 928 CA TYR A 59 16.953 16.912 21.072 1.00 0.00 C ATOM 929 C TYR A 59 16.767 17.727 22.355 1.00 0.00 C ATOM 930 O TYR A 59 17.694 17.835 23.146 1.00 0.00 O ATOM 931 CB TYR A 59 18.195 17.318 20.271 1.00 0.00 C ATOM 932 CG TYR A 59 19.551 16.822 20.728 1.00 0.00 C ATOM 933 CD1 TYR A 59 19.727 15.928 21.793 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.673 17.198 19.984 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.981 15.467 22.209 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.922 16.675 20.314 1.00 0.00 C ATOM 937 CZ TYR A 59 22.078 15.807 21.405 1.00 0.00 C ATOM 938 OH TYR A 59 23.337 15.439 21.799 1.00 0.00 O ATOM 0 H TYR A 59 16.216 17.624 19.304 1.00 0.00 H new ATOM 0 HA TYR A 59 17.000 15.900 21.475 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.050 16.983 19.244 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.232 18.407 20.249 1.00 0.00 H new ATOM 0 HD1 TYR A 59 18.851 15.577 22.319 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.573 17.889 19.160 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.098 14.878 23.106 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.784 16.942 19.720 1.00 0.00 H new ATOM 0 HH TYR A 59 23.288 14.610 22.320 1.00 0.00 H new ATOM 948 N ASN A 60 15.606 18.353 22.530 1.00 0.00 N ATOM 949 CA ASN A 60 15.287 19.125 23.708 1.00 0.00 C ATOM 950 C ASN A 60 15.793 20.566 23.783 1.00 0.00 C ATOM 951 O ASN A 60 15.400 21.279 24.704 1.00 0.00 O ATOM 952 CB ASN A 60 15.457 18.232 24.937 1.00 0.00 C ATOM 953 CG ASN A 60 14.461 18.401 26.069 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.262 18.240 25.838 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.847 18.601 27.327 1.00 0.00 N ATOM 0 H ASN A 60 14.854 18.332 21.841 1.00 0.00 H new ATOM 0 HA ASN A 60 14.235 19.405 23.649 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.418 17.194 24.607 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.456 18.401 25.340 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.155 18.619 28.076 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.835 18.737 27.542 1.00 0.00 H new ATOM 962 N ILE A 61 16.420 21.088 22.730 1.00 0.00 N ATOM 963 CA ILE A 61 16.973 22.426 22.696 1.00 0.00 C ATOM 964 C ILE A 61 15.981 23.423 22.094 1.00 0.00 C ATOM 965 O ILE A 61 15.761 23.508 20.887 1.00 0.00 O ATOM 966 CB ILE A 61 18.393 22.548 22.153 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.186 21.294 22.518 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.999 23.862 22.637 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.661 21.314 22.119 1.00 0.00 C ATOM 0 H ILE A 61 16.557 20.574 21.860 1.00 0.00 H new ATOM 0 HA ILE A 61 17.116 22.703 23.741 1.00 0.00 H new ATOM 0 HB ILE A 61 18.411 22.595 21.064 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.120 21.144 23.596 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.711 20.434 22.047 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.015 23.957 22.253 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.395 24.695 22.277 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.020 23.873 23.727 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.133 20.379 22.423 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.744 21.428 21.038 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.160 22.149 22.611 1.00 0.00 H new ATOM 981 N GLN A 62 15.207 23.994 23.014 1.00 0.00 N ATOM 982 CA GLN A 62 14.136 24.889 22.609 1.00 0.00 C ATOM 983 C GLN A 62 14.633 26.338 22.697 1.00 0.00 C ATOM 984 O GLN A 62 15.827 26.644 22.811 1.00 0.00 O ATOM 985 CB GLN A 62 13.063 24.674 23.665 1.00 0.00 C ATOM 986 CG GLN A 62 12.419 23.281 23.659 1.00 0.00 C ATOM 987 CD GLN A 62 11.573 23.030 22.422 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.415 23.928 21.599 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.017 21.840 22.227 1.00 0.00 N ATOM 0 H GLN A 62 15.300 23.856 24.020 1.00 0.00 H new ATOM 0 HA GLN A 62 13.786 24.705 21.593 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.500 24.852 24.648 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.281 25.420 23.524 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.201 22.524 23.719 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.798 23.169 24.548 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.150 21.096 22.912 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.457 21.670 21.392 1.00 0.00 H new ATOM 998 N LYS A 63 13.671 27.248 22.612 1.00 0.00 N ATOM 999 CA LYS A 63 13.919 28.674 22.586 1.00 0.00 C ATOM 1000 C LYS A 63 14.448 29.161 23.940 1.00 0.00 C ATOM 1001 O LYS A 63 13.869 28.889 24.979 1.00 0.00 O ATOM 1002 CB LYS A 63 12.755 29.530 22.081 1.00 0.00 C ATOM 1003 CG LYS A 63 11.637 29.657 23.118 1.00 0.00 C ATOM 1004 CD LYS A 63 10.392 30.331 22.537 1.00 0.00 C ATOM 1005 CE LYS A 63 9.321 30.458 23.616 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.011 30.577 22.963 1.00 0.00 N ATOM 0 H LYS A 63 12.682 27.006 22.559 1.00 0.00 H new ATOM 0 HA LYS A 63 14.693 28.817 21.832 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.122 30.523 21.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.353 29.091 21.168 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.373 28.667 23.490 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.997 30.233 23.971 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.649 31.317 22.149 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.010 29.748 21.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.339 29.587 24.272 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.514 31.331 24.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.269 30.665 23.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.002 31.420 22.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.833 29.731 22.385 1.00 0.00 H new ATOM 1020 N GLU A 64 15.537 29.940 23.894 1.00 0.00 N ATOM 1021 CA GLU A 64 16.132 30.777 24.904 1.00 0.00 C ATOM 1022 C GLU A 64 16.895 29.894 25.891 1.00 0.00 C ATOM 1023 O GLU A 64 16.831 30.060 27.110 1.00 0.00 O ATOM 1024 CB GLU A 64 15.170 31.852 25.405 1.00 0.00 C ATOM 1025 CG GLU A 64 14.726 32.850 24.334 1.00 0.00 C ATOM 1026 CD GLU A 64 13.384 33.537 24.515 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.048 33.853 25.682 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.743 33.763 23.463 1.00 0.00 O ATOM 0 H GLU A 64 16.078 29.993 23.031 1.00 0.00 H new ATOM 0 HA GLU A 64 16.912 31.430 24.513 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.287 31.367 25.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.647 32.399 26.219 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.490 33.624 24.261 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.708 32.328 23.377 1.00 0.00 H new ATOM 1035 N SER A 65 17.492 28.861 25.303 1.00 0.00 N ATOM 1036 CA SER A 65 18.124 27.746 25.984 1.00 0.00 C ATOM 1037 C SER A 65 19.606 28.163 26.010 1.00 0.00 C ATOM 1038 O SER A 65 20.165 28.799 25.132 1.00 0.00 O ATOM 1039 CB SER A 65 18.142 26.467 25.154 1.00 0.00 C ATOM 1040 OG SER A 65 16.809 26.032 25.153 1.00 0.00 O ATOM 0 H SER A 65 17.548 28.779 24.288 1.00 0.00 H new ATOM 0 HA SER A 65 17.614 27.556 26.928 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.499 26.656 24.142 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.804 25.719 25.591 1.00 0.00 H new ATOM 0 HG SER A 65 16.514 25.882 24.230 1.00 0.00 H new ATOM 1046 N THR A 66 20.217 27.902 27.165 1.00 0.00 N ATOM 1047 CA THR A 66 21.607 28.246 27.392 1.00 0.00 C ATOM 1048 C THR A 66 22.412 26.978 27.102 1.00 0.00 C ATOM 1049 O THR A 66 22.289 25.973 27.800 1.00 0.00 O ATOM 1050 CB THR A 66 21.785 28.822 28.793 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.138 30.072 28.770 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.227 29.219 29.129 1.00 0.00 C ATOM 0 H THR A 66 19.762 27.450 27.958 1.00 0.00 H new ATOM 0 HA THR A 66 21.970 29.036 26.735 1.00 0.00 H new ATOM 0 HB THR A 66 21.428 28.068 29.494 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.216 30.497 29.650 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.268 29.619 30.142 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.871 28.343 29.059 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.569 29.978 28.425 1.00 0.00 H new ATOM 1060 N LEU A 67 23.294 27.084 26.108 1.00 0.00 N ATOM 1061 CA LEU A 67 24.449 26.244 25.852 1.00 0.00 C ATOM 1062 C LEU A 67 25.667 27.089 26.228 1.00 0.00 C ATOM 1063 O LEU A 67 25.504 28.308 26.212 1.00 0.00 O ATOM 1064 CB LEU A 67 24.509 25.989 24.340 1.00 0.00 C ATOM 1065 CG LEU A 67 23.208 25.410 23.780 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.037 26.361 23.499 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.526 24.706 22.455 1.00 0.00 C ATOM 0 H LEU A 67 23.206 27.821 25.409 1.00 0.00 H new ATOM 0 HA LEU A 67 24.411 25.303 26.401 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.734 26.924 23.828 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.328 25.303 24.125 1.00 0.00 H new ATOM 0 HG LEU A 67 22.858 24.769 24.589 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.193 25.793 23.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.742 26.858 24.423 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.343 27.109 22.767 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.611 24.285 22.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.948 25.425 21.753 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.246 23.906 22.631 1.00 0.00 H new ATOM 1079 N HIS A 68 26.777 26.449 26.560 1.00 0.00 N ATOM 1080 CA HIS A 68 27.986 27.149 26.954 1.00 0.00 C ATOM 1081 C HIS A 68 29.074 26.982 25.888 1.00 0.00 C ATOM 1082 O HIS A 68 29.211 25.856 25.419 1.00 0.00 O ATOM 1083 CB HIS A 68 28.551 26.679 28.300 1.00 0.00 C ATOM 1084 CG HIS A 68 27.632 25.765 29.069 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.605 24.413 28.738 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.833 26.011 30.155 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.878 23.860 29.714 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.306 24.781 30.501 1.00 0.00 N ATOM 0 H HIS A 68 26.864 25.433 26.564 1.00 0.00 H new ATOM 0 HA HIS A 68 27.700 28.196 27.058 1.00 0.00 H new ATOM 0 HB2 HIS A 68 29.495 26.163 28.125 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.773 27.552 28.913 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.654 26.961 30.637 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.765 22.795 29.852 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.608 24.606 31.224 1.00 0.00 H new ATOM 1096 N LEU A 69 29.817 28.044 25.612 1.00 0.00 N ATOM 1097 CA LEU A 69 30.899 28.047 24.645 1.00 0.00 C ATOM 1098 C LEU A 69 32.124 27.485 25.382 1.00 0.00 C ATOM 1099 O LEU A 69 32.569 28.034 26.379 1.00 0.00 O ATOM 1100 CB LEU A 69 31.213 29.478 24.202 1.00 0.00 C ATOM 1101 CG LEU A 69 32.179 29.773 23.049 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.594 29.287 21.725 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.512 31.259 23.025 1.00 0.00 C ATOM 0 H LEU A 69 29.679 28.947 26.066 1.00 0.00 H new ATOM 0 HA LEU A 69 30.634 27.463 23.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.262 29.944 23.944 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.597 30.002 25.077 1.00 0.00 H new ATOM 0 HG LEU A 69 33.110 29.228 23.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.293 29.504 20.917 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.421 28.212 21.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.650 29.797 21.535 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.199 31.465 22.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.597 31.835 22.885 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.979 31.543 23.968 1.00 0.00 H new ATOM 1115 N VAL A 70 32.735 26.399 24.909 1.00 0.00 N ATOM 1116 CA VAL A 70 33.918 25.736 25.429 1.00 0.00 C ATOM 1117 C VAL A 70 34.763 25.431 24.197 1.00 0.00 C ATOM 1118 O VAL A 70 34.228 24.952 23.202 1.00 0.00 O ATOM 1119 CB VAL A 70 33.497 24.454 26.150 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.758 23.840 26.753 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.468 24.746 27.238 1.00 0.00 C ATOM 0 H VAL A 70 32.379 25.924 24.080 1.00 0.00 H new ATOM 0 HA VAL A 70 34.473 26.338 26.149 1.00 0.00 H new ATOM 0 HB VAL A 70 33.027 23.764 25.449 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.500 22.920 27.278 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.470 23.617 25.958 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.206 24.544 27.454 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.188 23.816 27.733 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.896 25.431 27.969 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.584 25.199 26.790 1.00 0.00 H new ATOM 1131 N LEU A 71 36.078 25.664 24.253 1.00 0.00 N ATOM 1132 CA LEU A 71 37.013 25.411 23.185 1.00 0.00 C ATOM 1133 C LEU A 71 37.981 24.331 23.691 1.00 0.00 C ATOM 1134 O LEU A 71 38.072 24.022 24.878 1.00 0.00 O ATOM 1135 CB LEU A 71 37.715 26.728 22.848 1.00 0.00 C ATOM 1136 CG LEU A 71 37.013 28.073 23.006 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.969 29.216 22.660 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.796 28.162 22.079 1.00 0.00 C ATOM 0 H LEU A 71 36.525 26.050 25.084 1.00 0.00 H new ATOM 0 HA LEU A 71 36.539 25.053 22.271 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.618 26.769 23.457 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.035 26.659 21.808 1.00 0.00 H new ATOM 0 HG LEU A 71 36.690 28.158 24.044 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.454 30.169 22.777 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.830 29.184 23.327 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.305 29.110 21.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.310 29.129 22.208 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.119 28.053 21.044 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.092 27.367 22.325 1.00 0.00 H new