USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0109 (180deg=-0.24) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0845 (180deg=-0.0566) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -80:sc= 0.131 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= -0.327 (180deg=-0.651) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 1.4 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.278 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 0.659 (180deg=-0.312) USER MOD Single : A 31 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) 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=-1) USER MOD Single : A 41 GLN : amide:sc= -4.22! C(o=-4.2!,f=-8.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -73:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= 0.0316 (180deg=-0.388) USER MOD Single : A 65 SER OG : rot 95:sc= 0.522 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.543 24.539 3.105 1.00 49.53 N ATOM 2 CA MET A 1 25.471 25.515 3.367 1.00 50.07 C ATOM 3 C MET A 1 26.004 26.946 3.615 1.00 50.51 C ATOM 4 O MET A 1 27.204 27.168 3.456 1.00 49.49 O ATOM 5 CB MET A 1 24.632 25.058 4.560 1.00 49.82 C ATOM 6 CG MET A 1 23.807 23.805 4.307 1.00 49.86 C ATOM 7 SD MET A 1 22.607 24.019 2.976 1.00 49.91 S ATOM 8 CE MET A 1 21.453 25.156 3.741 1.00 49.78 C ATOM 0 H1 MET A 1 26.388 24.094 2.178 1.00 49.53 H new ATOM 0 H2 MET A 1 27.463 25.025 3.107 1.00 49.53 H new ATOM 0 H3 MET A 1 26.536 23.809 3.845 1.00 49.53 H new ATOM 0 HA MET A 1 24.855 25.558 2.469 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.295 24.877 5.406 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.961 25.868 4.848 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.474 22.979 4.060 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.283 23.529 5.222 1.00 49.86 H new ATOM 0 HE1 MET A 1 20.536 25.194 3.153 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.223 24.817 4.751 1.00 49.78 H new ATOM 0 HE3 MET A 1 21.897 26.151 3.785 1.00 49.78 H new ATOM 18 N GLN A 2 25.094 27.797 3.983 1.00 49.53 N ATOM 19 CA GLN A 2 25.500 29.206 4.289 1.00 50.07 C ATOM 20 C GLN A 2 24.962 29.668 5.635 1.00 50.51 C ATOM 21 O GLN A 2 23.735 29.880 5.845 1.00 49.49 O ATOM 22 CB GLN A 2 25.012 30.152 3.189 1.00 49.82 C ATOM 23 CG GLN A 2 25.485 29.779 1.794 1.00 49.82 C ATOM 24 CD GLN A 2 25.198 30.866 0.775 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.057 31.038 0.335 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.232 31.605 0.392 1.00 49.38 N ATOM 0 H GLN A 2 24.100 27.591 4.086 1.00 49.53 H new ATOM 0 HA GLN A 2 26.589 29.228 4.333 1.00 50.07 H new ATOM 0 HB2 GLN A 2 23.922 30.171 3.198 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.350 31.163 3.417 1.00 49.82 H new ATOM 0 HG2 GLN A 2 26.557 29.581 1.818 1.00 49.82 H new ATOM 0 HG3 GLN A 2 24.997 28.855 1.483 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.158 31.428 0.782 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.101 32.350 -0.292 1.00 49.38 H new ATOM 35 N ILE A 3 25.866 29.765 6.599 1.00 49.53 N ATOM 36 CA ILE A 3 25.514 30.340 7.911 1.00 50.07 C ATOM 37 C ILE A 3 26.251 31.680 8.213 1.00 50.51 C ATOM 38 O ILE A 3 27.300 31.859 7.617 1.00 49.49 O ATOM 39 CB ILE A 3 25.809 29.347 9.050 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.315 29.100 9.168 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.068 28.039 8.818 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.709 28.301 10.388 1.00 49.73 C ATOM 0 H ILE A 3 26.836 29.462 6.511 1.00 49.53 H new ATOM 0 HA ILE A 3 24.445 30.547 7.859 1.00 50.07 H new ATOM 0 HB ILE A 3 25.458 29.780 9.987 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.659 28.576 8.276 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.830 30.060 9.192 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.287 27.348 9.632 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.995 28.230 8.783 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.390 27.601 7.873 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.791 28.167 10.402 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.398 28.833 11.287 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.223 27.326 10.357 1.00 49.73 H new ATOM 54 N PHE A 4 25.620 32.441 9.075 1.00 49.53 N ATOM 55 CA PHE A 4 26.264 33.759 9.439 1.00 50.07 C ATOM 56 C PHE A 4 26.564 33.854 10.909 1.00 50.51 C ATOM 57 O PHE A 4 25.630 33.575 11.676 1.00 49.49 O ATOM 58 CB PHE A 4 25.369 34.924 9.012 1.00 49.82 C ATOM 59 CG PHE A 4 25.035 34.927 7.548 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.984 35.292 6.605 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.771 34.563 7.108 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.679 35.297 5.259 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.463 34.565 5.761 1.00 49.88 C ATOM 64 CZ PHE A 4 24.417 34.932 4.836 1.00 49.88 C ATOM 0 H PHE A 4 24.731 32.229 9.527 1.00 49.53 H new ATOM 0 HA PHE A 4 27.212 33.814 8.904 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.443 34.888 9.586 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.864 35.862 9.264 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.975 35.576 6.928 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.018 34.275 7.827 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.428 35.587 4.537 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.475 34.279 5.433 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.177 34.934 3.783 1.00 49.88 H new ATOM 74 N VAL A 5 27.752 34.266 11.338 1.00 49.53 N ATOM 75 CA VAL A 5 28.040 34.453 12.745 1.00 50.07 C ATOM 76 C VAL A 5 28.163 35.948 13.124 1.00 50.51 C ATOM 77 O VAL A 5 28.864 36.598 12.339 1.00 49.49 O ATOM 78 CB VAL A 5 29.333 33.725 13.155 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.701 34.060 14.593 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.178 32.222 12.983 1.00 49.73 C ATOM 0 H VAL A 5 28.535 34.477 10.719 1.00 49.53 H new ATOM 0 HA VAL A 5 27.195 34.026 13.285 1.00 50.07 H new ATOM 0 HB VAL A 5 30.139 34.065 12.504 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.617 33.537 14.865 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.855 35.135 14.688 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.894 33.749 15.257 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.102 31.725 13.278 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.359 31.867 13.609 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.961 31.996 11.939 1.00 49.73 H new ATOM 90 N LYS A 6 27.548 36.340 14.186 1.00 49.53 N ATOM 91 CA LYS A 6 27.583 37.786 14.596 1.00 50.07 C ATOM 92 C LYS A 6 28.715 37.913 15.578 1.00 50.51 C ATOM 93 O LYS A 6 28.689 37.283 16.660 1.00 49.49 O ATOM 94 CB LYS A 6 26.258 38.216 15.227 1.00 49.82 C ATOM 95 CG LYS A 6 25.116 38.392 14.235 1.00 49.82 C ATOM 96 CD LYS A 6 23.898 39.015 14.898 1.00 49.82 C ATOM 97 CE LYS A 6 24.160 40.460 15.295 1.00 50.21 C ATOM 98 NZ LYS A 6 22.964 41.093 15.913 1.00 49.70 N ATOM 0 H LYS A 6 27.014 35.730 14.804 1.00 49.53 H new ATOM 0 HA LYS A 6 27.732 38.435 13.733 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.966 37.474 15.970 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.410 39.156 15.757 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.444 39.022 13.408 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.847 37.424 13.812 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.049 38.972 14.216 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.627 38.437 15.781 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.994 40.498 15.996 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.458 41.030 14.415 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.185 42.077 16.169 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.175 41.080 15.235 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.694 40.565 16.768 1.00 49.70 H new ATOM 112 N THR A 7 29.734 38.738 15.244 1.00 49.53 N ATOM 113 CA THR A 7 30.874 38.912 16.156 1.00 50.07 C ATOM 114 C THR A 7 30.713 40.190 16.983 1.00 50.51 C ATOM 115 O THR A 7 29.977 41.074 16.537 1.00 49.49 O ATOM 116 CB THR A 7 32.209 38.970 15.391 1.00 50.14 C ATOM 117 OG1 THR A 7 32.303 40.212 14.680 1.00 49.34 O ATOM 118 CG2 THR A 7 32.309 37.817 14.404 1.00 49.73 C ATOM 0 H THR A 7 29.787 39.275 14.378 1.00 49.53 H new ATOM 0 HA THR A 7 30.890 38.046 16.818 1.00 50.07 H new ATOM 0 HB THR A 7 33.025 38.892 16.109 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.784 40.154 13.850 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.259 37.874 13.873 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.251 36.871 14.942 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.489 37.878 13.689 1.00 49.73 H new ATOM 126 N LEU A 8 31.421 40.307 18.084 1.00 49.53 N ATOM 127 CA LEU A 8 31.286 41.493 18.959 1.00 50.07 C ATOM 128 C LEU A 8 31.498 42.824 18.266 1.00 50.51 C ATOM 129 O LEU A 8 30.799 43.804 18.589 1.00 49.49 O ATOM 130 CB LEU A 8 32.251 41.371 20.146 1.00 49.82 C ATOM 131 CG LEU A 8 32.114 40.083 20.968 1.00 49.91 C ATOM 132 CD1 LEU A 8 33.040 40.133 22.175 1.00 49.73 C ATOM 133 CD2 LEU A 8 30.666 39.910 21.405 1.00 49.73 C ATOM 0 H LEU A 8 32.095 39.613 18.409 1.00 49.53 H new ATOM 0 HA LEU A 8 30.248 41.496 19.291 1.00 50.07 H new ATOM 0 HB2 LEU A 8 33.273 41.437 19.772 1.00 49.82 H new ATOM 0 HB3 LEU A 8 32.098 42.224 20.808 1.00 49.82 H new ATOM 0 HG LEU A 8 32.400 39.228 20.355 1.00 49.91 H new ATOM 0 HD11 LEU A 8 32.935 39.214 22.752 1.00 49.73 H new ATOM 0 HD12 LEU A 8 34.072 40.234 21.838 1.00 49.73 H new ATOM 0 HD13 LEU A 8 32.777 40.986 22.800 1.00 49.73 H new ATOM 0 HD21 LEU A 8 30.569 38.995 21.989 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.365 40.763 22.014 1.00 49.73 H new ATOM 0 HD23 LEU A 8 30.025 39.849 20.525 1.00 49.73 H new ATOM 145 N THR A 9 32.392 42.870 17.259 1.00 49.53 N ATOM 146 CA THR A 9 32.566 44.211 16.603 1.00 50.07 C ATOM 147 C THR A 9 31.388 44.616 15.771 1.00 50.51 C ATOM 148 O THR A 9 31.210 45.797 15.419 1.00 49.49 O ATOM 149 CB THR A 9 33.828 44.240 15.721 1.00 50.14 C ATOM 150 OG1 THR A 9 34.991 44.074 16.542 1.00 49.34 O ATOM 151 CG2 THR A 9 33.924 45.560 14.971 1.00 49.73 C ATOM 0 H THR A 9 32.955 42.098 16.901 1.00 49.53 H new ATOM 0 HA THR A 9 32.664 44.924 17.421 1.00 50.07 H new ATOM 0 HB THR A 9 33.767 43.427 14.997 1.00 50.14 H new ATOM 0 HG1 THR A 9 35.793 44.091 15.980 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.822 45.563 14.353 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.046 45.683 14.337 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.973 46.382 15.685 1.00 49.73 H new ATOM 159 N GLY A 10 30.581 43.686 15.363 1.00 49.53 N ATOM 160 CA GLY A 10 29.406 43.934 14.558 1.00 49.98 C ATOM 161 C GLY A 10 29.483 43.511 13.122 1.00 50.51 C ATOM 162 O GLY A 10 28.458 43.517 12.404 1.00 49.49 O ATOM 0 H GLY A 10 30.719 42.700 15.583 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.561 43.424 15.020 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.189 45.002 14.589 1.00 49.98 H new ATOM 166 N LYS A 11 30.666 43.167 12.680 1.00 49.53 N ATOM 167 CA LYS A 11 30.878 42.634 11.342 1.00 50.07 C ATOM 168 C LYS A 11 30.265 41.220 11.216 1.00 50.51 C ATOM 169 O LYS A 11 30.760 40.337 11.910 1.00 49.49 O ATOM 170 CB LYS A 11 32.370 42.595 11.008 1.00 49.82 C ATOM 171 CG LYS A 11 33.014 43.965 10.846 1.00 49.82 C ATOM 172 CD LYS A 11 34.526 43.855 10.726 1.00 49.82 C ATOM 173 CE LYS A 11 35.167 45.218 10.507 1.00 50.21 C ATOM 174 NZ LYS A 11 34.939 46.131 11.660 1.00 49.70 N ATOM 0 H LYS A 11 31.519 43.246 13.234 1.00 49.53 H new ATOM 0 HA LYS A 11 30.380 43.293 10.631 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.892 42.052 11.796 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.509 42.030 10.086 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.612 44.456 9.960 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.760 44.592 11.701 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.932 43.401 11.630 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.779 43.195 9.897 1.00 49.82 H new ATOM 0 HE2 LYS A 11 36.238 45.094 10.349 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.761 45.669 9.601 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.483 47.004 11.326 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 34.324 45.664 12.356 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.850 46.364 12.104 1.00 49.70 H new ATOM 188 N THR A 12 29.292 41.078 10.336 1.00 49.53 N ATOM 189 CA THR A 12 28.745 39.723 10.131 1.00 50.07 C ATOM 190 C THR A 12 29.711 38.836 9.347 1.00 50.51 C ATOM 191 O THR A 12 30.055 39.249 8.237 1.00 49.49 O ATOM 192 CB THR A 12 27.395 39.766 9.393 1.00 50.14 C ATOM 193 OG1 THR A 12 26.497 40.643 10.086 1.00 49.34 O ATOM 194 CG2 THR A 12 26.782 38.376 9.319 1.00 49.73 C ATOM 0 H THR A 12 28.876 41.823 9.777 1.00 49.53 H new ATOM 0 HA THR A 12 28.599 39.298 11.124 1.00 50.07 H new ATOM 0 HB THR A 12 27.564 40.132 8.380 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.638 40.671 9.615 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.828 38.426 8.794 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.457 37.709 8.783 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.621 37.995 10.328 1.00 49.73 H new ATOM 202 N ILE A 13 30.022 37.668 9.909 1.00 49.53 N ATOM 203 CA ILE A 13 30.962 36.814 9.124 1.00 50.07 C ATOM 204 C ILE A 13 30.268 35.663 8.449 1.00 50.51 C ATOM 205 O ILE A 13 29.308 35.101 9.011 1.00 49.49 O ATOM 206 CB ILE A 13 32.092 36.262 10.013 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.552 35.183 10.953 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.742 37.386 10.805 1.00 49.73 C ATOM 209 CD1 ILE A 13 32.625 34.302 11.553 1.00 49.73 C ATOM 0 H ILE A 13 29.690 37.305 10.803 1.00 49.53 H new ATOM 0 HA ILE A 13 31.382 37.462 8.355 1.00 50.07 H new ATOM 0 HB ILE A 13 32.850 35.812 9.372 1.00 49.91 H new ATOM 0 HG12 ILE A 13 30.996 35.662 11.759 1.00 49.82 H new ATOM 0 HG13 ILE A 13 30.846 34.558 10.406 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.538 36.979 11.428 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.159 38.122 10.117 1.00 49.73 H new ATOM 0 HG23 ILE A 13 31.995 37.864 11.438 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.164 33.562 12.208 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.167 33.794 10.755 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.319 34.914 12.129 1.00 49.73 H new ATOM 221 N THR A 14 30.675 35.317 7.249 1.00 49.53 N ATOM 222 CA THR A 14 30.005 34.145 6.610 1.00 50.07 C ATOM 223 C THR A 14 30.884 32.922 6.592 1.00 50.51 C ATOM 224 O THR A 14 32.113 33.028 6.341 1.00 49.49 O ATOM 225 CB THR A 14 29.570 34.467 5.168 1.00 50.14 C ATOM 226 OG1 THR A 14 28.751 35.643 5.165 1.00 49.34 O ATOM 227 CG2 THR A 14 28.784 33.305 4.577 1.00 49.73 C ATOM 0 H THR A 14 31.409 35.773 6.707 1.00 49.53 H new ATOM 0 HA THR A 14 29.127 33.932 7.220 1.00 50.07 H new ATOM 0 HB THR A 14 30.461 34.635 4.564 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.857 35.420 5.498 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.484 33.549 3.558 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.408 32.411 4.567 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.896 33.121 5.182 1.00 49.73 H new ATOM 235 N LEU A 15 30.324 31.741 6.801 1.00 49.53 N ATOM 236 CA LEU A 15 31.090 30.513 6.817 1.00 50.07 C ATOM 237 C LEU A 15 30.486 29.406 5.946 1.00 50.51 C ATOM 238 O LEU A 15 29.292 29.198 6.112 1.00 49.49 O ATOM 239 CB LEU A 15 31.248 30.017 8.260 1.00 49.82 C ATOM 240 CG LEU A 15 31.980 30.978 9.204 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.951 30.436 10.626 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.412 31.169 8.728 1.00 49.73 C ATOM 0 H LEU A 15 29.326 31.611 6.964 1.00 49.53 H new ATOM 0 HA LEU A 15 32.064 30.747 6.388 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.258 29.816 8.669 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.785 29.069 8.245 1.00 49.82 H new ATOM 0 HG LEU A 15 31.478 31.945 9.198 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.473 31.126 11.289 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.917 30.330 10.954 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.442 29.463 10.655 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.931 31.852 9.400 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.925 30.207 8.722 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.408 31.585 7.720 1.00 49.73 H new ATOM 254 N GLU A 16 31.337 28.776 5.171 1.00 49.53 N ATOM 255 CA GLU A 16 30.822 27.595 4.404 1.00 50.07 C ATOM 256 C GLU A 16 31.269 26.364 5.163 1.00 50.51 C ATOM 257 O GLU A 16 32.354 26.378 5.741 1.00 49.49 O ATOM 258 CB GLU A 16 31.366 27.583 2.974 1.00 49.82 C ATOM 259 CG GLU A 16 30.882 28.737 2.108 1.00 49.72 C ATOM 260 CD GLU A 16 31.581 28.753 0.777 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.783 28.871 0.760 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.930 28.534 -0.217 1.00 49.24 O ATOM 0 H GLU A 16 32.320 29.012 5.038 1.00 49.53 H new ATOM 0 HA GLU A 16 29.736 27.632 4.318 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.455 27.605 3.012 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.083 26.644 2.498 1.00 49.82 H new ATOM 0 HG2 GLU A 16 29.806 28.653 1.955 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.058 29.681 2.625 1.00 49.72 H new ATOM 269 N VAL A 17 30.340 25.420 5.205 1.00 49.53 N ATOM 270 CA VAL A 17 30.545 24.166 5.924 1.00 50.07 C ATOM 271 C VAL A 17 30.110 22.871 5.222 1.00 50.51 C ATOM 272 O VAL A 17 29.473 22.886 4.144 1.00 49.49 O ATOM 273 CB VAL A 17 29.853 24.215 7.299 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.351 25.406 8.103 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.342 24.280 7.133 1.00 49.73 C ATOM 0 H VAL A 17 29.432 25.497 4.748 1.00 49.53 H new ATOM 0 HA VAL A 17 31.631 24.107 5.995 1.00 50.07 H new ATOM 0 HB VAL A 17 30.101 23.303 7.842 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.852 25.425 9.072 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.427 25.320 8.251 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.131 26.327 7.563 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.869 24.314 8.115 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.076 25.175 6.571 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.997 23.397 6.594 1.00 49.73 H new ATOM 285 N GLU A 18 30.514 21.799 5.867 1.00 49.53 N ATOM 286 CA GLU A 18 30.143 20.435 5.483 1.00 50.07 C ATOM 287 C GLU A 18 29.316 19.950 6.664 1.00 50.51 C ATOM 288 O GLU A 18 29.632 20.216 7.813 1.00 49.49 O ATOM 289 CB GLU A 18 31.377 19.556 5.263 1.00 49.82 C ATOM 290 CG GLU A 18 32.408 20.146 4.311 1.00 49.72 C ATOM 291 CD GLU A 18 33.716 19.411 4.400 1.00 50.62 C ATOM 292 OE1 GLU A 18 33.725 18.224 4.181 1.00 49.24 O ATOM 293 OE2 GLU A 18 34.725 20.054 4.575 1.00 49.24 O ATOM 0 H GLU A 18 31.119 21.840 6.687 1.00 49.53 H new ATOM 0 HA GLU A 18 29.599 20.395 4.539 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.853 19.372 6.226 1.00 49.82 H new ATOM 0 HB3 GLU A 18 31.055 18.589 4.877 1.00 49.82 H new ATOM 0 HG2 GLU A 18 32.031 20.100 3.289 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.563 21.199 4.546 1.00 49.72 H new ATOM 300 N PRO A 19 28.225 19.261 6.386 1.00 49.71 N ATOM 301 CA PRO A 19 27.366 18.694 7.426 1.00 50.02 C ATOM 302 C PRO A 19 28.137 17.806 8.373 1.00 50.51 C ATOM 303 O PRO A 19 27.722 17.561 9.515 1.00 49.49 O ATOM 304 CB PRO A 19 26.319 17.881 6.632 1.00 49.82 C ATOM 305 CG PRO A 19 26.239 18.622 5.337 1.00 49.82 C ATOM 306 CD PRO A 19 27.722 18.948 5.025 1.00 50.00 C ATOM 0 HA PRO A 19 26.922 19.463 8.058 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.634 16.847 6.488 1.00 49.82 H new ATOM 0 HB3 PRO A 19 25.356 17.853 7.142 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.786 18.015 4.553 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.638 19.527 5.427 1.00 49.82 H new ATOM 0 HD2 PRO A 19 28.245 18.105 4.574 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.826 19.790 4.341 1.00 50.00 H new ATOM 314 N SER A 20 29.250 17.263 7.913 1.00 49.53 N ATOM 315 CA SER A 20 30.034 16.343 8.753 1.00 50.07 C ATOM 316 C SER A 20 30.854 17.142 9.739 1.00 50.51 C ATOM 317 O SER A 20 31.592 16.523 10.525 1.00 49.49 O ATOM 318 CB SER A 20 30.927 15.470 7.893 1.00 50.05 C ATOM 319 OG SER A 20 31.772 16.229 7.072 1.00 49.34 O ATOM 0 H SER A 20 29.635 17.431 6.983 1.00 49.53 H new ATOM 0 HA SER A 20 29.356 15.689 9.302 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.528 14.825 8.534 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.310 14.819 7.274 1.00 50.05 H new ATOM 0 HG SER A 20 32.332 15.630 6.536 1.00 49.34 H new ATOM 325 N ASP A 21 30.837 18.470 9.598 1.00 49.53 N ATOM 326 CA ASP A 21 31.658 19.268 10.546 1.00 50.07 C ATOM 327 C ASP A 21 31.183 19.385 11.972 1.00 50.51 C ATOM 328 O ASP A 21 30.083 19.907 12.238 1.00 49.49 O ATOM 329 CB ASP A 21 31.861 20.676 9.980 1.00 49.72 C ATOM 330 CG ASP A 21 32.667 20.725 8.689 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.239 19.722 8.330 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.578 21.709 7.994 1.00 49.24 O ATOM 0 H ASP A 21 30.312 18.995 8.898 1.00 49.53 H new ATOM 0 HA ASP A 21 32.579 18.691 10.623 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.885 21.127 9.802 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.362 21.287 10.730 1.00 49.72 H new ATOM 337 N THR A 22 32.032 18.970 12.897 1.00 49.53 N ATOM 338 CA THR A 22 31.760 19.101 14.310 1.00 50.07 C ATOM 339 C THR A 22 31.778 20.610 14.647 1.00 50.51 C ATOM 340 O THR A 22 32.424 21.387 13.940 1.00 49.49 O ATOM 341 CB THR A 22 32.802 18.362 15.170 1.00 50.14 C ATOM 342 OG1 THR A 22 34.087 18.971 14.996 1.00 49.34 O ATOM 343 CG2 THR A 22 32.882 16.897 14.771 1.00 49.73 C ATOM 0 H THR A 22 32.929 18.533 12.685 1.00 49.53 H new ATOM 0 HA THR A 22 30.792 18.653 14.533 1.00 50.07 H new ATOM 0 HB THR A 22 32.499 18.427 16.215 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.774 18.411 15.414 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.623 16.391 15.390 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.909 16.427 14.914 1.00 49.73 H new ATOM 0 HG23 THR A 22 33.171 16.821 13.723 1.00 49.73 H new ATOM 351 N ILE A 23 31.062 20.912 15.731 1.00 49.53 N ATOM 352 CA ILE A 23 31.036 22.275 16.257 1.00 50.07 C ATOM 353 C ILE A 23 32.480 22.670 16.575 1.00 50.51 C ATOM 354 O ILE A 23 32.842 23.859 16.639 1.00 49.49 O ATOM 355 CB ILE A 23 30.172 22.391 17.526 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.753 21.883 17.253 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.141 23.829 18.018 1.00 49.73 C ATOM 358 CD1 ILE A 23 27.953 22.774 16.331 1.00 49.73 C ATOM 0 H ILE A 23 30.500 20.241 16.255 1.00 49.53 H new ATOM 0 HA ILE A 23 30.593 22.938 15.514 1.00 50.07 H new ATOM 0 HB ILE A 23 30.615 21.772 18.306 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.812 20.885 16.818 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.223 21.787 18.201 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.526 23.893 18.916 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.155 24.157 18.248 1.00 49.73 H new ATOM 0 HG23 ILE A 23 29.720 24.470 17.243 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.960 22.349 16.185 1.00 49.73 H new ATOM 0 HD12 ILE A 23 27.862 23.766 16.773 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.460 22.850 15.369 1.00 49.73 H new ATOM 370 N GLU A 24 33.318 21.686 16.799 1.00 49.53 N ATOM 371 CA GLU A 24 34.770 21.971 17.055 1.00 50.07 C ATOM 372 C GLU A 24 35.466 22.405 15.787 1.00 50.51 C ATOM 373 O GLU A 24 36.343 23.300 15.802 1.00 49.49 O ATOM 374 CB GLU A 24 35.463 20.740 17.642 1.00 49.82 C ATOM 375 CG GLU A 24 36.854 21.008 18.199 1.00 49.72 C ATOM 376 CD GLU A 24 37.450 19.765 18.801 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.792 18.753 18.798 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.602 19.799 19.162 1.00 49.24 O ATOM 0 H GLU A 24 33.062 20.699 16.816 1.00 49.53 H new ATOM 0 HA GLU A 24 34.831 22.786 17.777 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.839 20.331 18.437 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.536 19.975 16.869 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.502 21.376 17.404 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.801 21.791 18.955 1.00 49.72 H new ATOM 385 N ASN A 25 35.130 21.766 14.679 1.00 49.53 N ATOM 386 CA ASN A 25 35.705 22.044 13.357 1.00 50.07 C ATOM 387 C ASN A 25 35.184 23.400 12.884 1.00 50.51 C ATOM 388 O ASN A 25 35.779 24.038 11.991 1.00 49.49 O ATOM 389 CB ASN A 25 35.367 20.958 12.352 1.00 49.82 C ATOM 390 CG ASN A 25 36.269 20.944 11.149 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.175 21.806 10.268 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.085 19.924 11.067 1.00 49.38 N ATOM 0 H ASN A 25 34.434 21.020 14.665 1.00 49.53 H new ATOM 0 HA ASN A 25 36.792 22.064 13.438 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.421 19.988 12.847 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.337 21.090 12.021 1.00 49.82 H new ATOM 0 HD21 ASN A 25 37.682 19.813 10.247 1.00 49.38 H new ATOM 0 HD22 ASN A 25 37.124 19.240 11.823 1.00 49.38 H new ATOM 399 N VAL A 26 34.072 23.795 13.488 1.00 49.53 N ATOM 400 CA VAL A 26 33.469 25.082 13.167 1.00 50.07 C ATOM 401 C VAL A 26 34.466 26.046 13.803 1.00 50.51 C ATOM 402 O VAL A 26 35.112 26.844 13.117 1.00 49.49 O ATOM 403 CB VAL A 26 32.069 25.262 13.786 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.541 26.661 13.513 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.108 24.216 13.241 1.00 49.73 C ATOM 0 H VAL A 26 33.574 23.252 14.194 1.00 49.53 H new ATOM 0 HA VAL A 26 33.305 25.221 12.098 1.00 50.07 H new ATOM 0 HB VAL A 26 32.150 25.129 14.865 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.552 26.770 13.957 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.217 27.397 13.949 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.475 26.821 12.437 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.124 24.357 13.688 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.033 24.320 12.159 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.478 23.220 13.485 1.00 49.73 H new ATOM 415 N LYS A 27 34.676 25.884 15.104 1.00 49.53 N ATOM 416 CA LYS A 27 35.611 26.754 15.831 1.00 50.07 C ATOM 417 C LYS A 27 36.993 26.854 15.206 1.00 50.51 C ATOM 418 O LYS A 27 37.603 27.951 15.252 1.00 49.49 O ATOM 419 CB LYS A 27 35.740 26.287 17.281 1.00 49.82 C ATOM 420 CG LYS A 27 34.494 26.511 18.128 1.00 49.82 C ATOM 421 CD LYS A 27 34.773 26.259 19.602 1.00 49.82 C ATOM 422 CE LYS A 27 33.523 26.462 20.445 1.00 50.21 C ATOM 423 NZ LYS A 27 33.775 26.195 21.887 1.00 49.70 N ATOM 0 H LYS A 27 34.222 25.172 15.676 1.00 49.53 H new ATOM 0 HA LYS A 27 35.181 27.754 15.780 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.982 25.224 17.287 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.578 26.808 17.744 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.139 27.533 17.993 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.697 25.849 17.788 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.143 25.242 19.735 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.559 26.932 19.946 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.165 27.484 20.323 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.733 25.802 20.087 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.898 26.345 22.426 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.092 25.212 22.008 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.511 26.842 22.236 1.00 49.70 H new ATOM 437 N ALA A 28 37.515 25.764 14.681 1.00 49.53 N ATOM 438 CA ALA A 28 38.812 25.770 13.995 1.00 50.07 C ATOM 439 C ALA A 28 38.780 26.725 12.815 1.00 50.51 C ATOM 440 O ALA A 28 39.762 27.512 12.591 1.00 49.49 O ATOM 441 CB ALA A 28 39.187 24.348 13.535 1.00 49.73 C ATOM 0 H ALA A 28 37.064 24.850 14.712 1.00 49.53 H new ATOM 0 HA ALA A 28 39.574 26.113 14.695 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.152 24.372 13.028 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.249 23.690 14.402 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.426 23.975 12.849 1.00 49.73 H new ATOM 447 N LYS A 29 37.710 26.750 12.036 1.00 49.53 N ATOM 448 CA LYS A 29 37.580 27.715 10.925 1.00 50.07 C ATOM 449 C LYS A 29 37.597 29.221 11.251 1.00 50.51 C ATOM 450 O LYS A 29 37.799 30.105 10.385 1.00 49.49 O ATOM 451 CB LYS A 29 36.311 27.403 10.130 1.00 49.82 C ATOM 452 CG LYS A 29 36.387 26.128 9.299 1.00 49.82 C ATOM 453 CD LYS A 29 35.003 25.660 8.876 1.00 49.82 C ATOM 454 CE LYS A 29 34.362 26.635 7.901 1.00 50.21 C ATOM 455 NZ LYS A 29 35.015 26.596 6.564 1.00 49.70 N ATOM 0 H LYS A 29 36.915 26.120 12.142 1.00 49.53 H new ATOM 0 HA LYS A 29 38.502 27.563 10.365 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.474 27.321 10.823 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.096 28.242 9.468 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.000 26.304 8.415 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.878 25.344 9.876 1.00 49.82 H new ATOM 0 HD2 LYS A 29 35.076 24.676 8.414 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.369 25.553 9.756 1.00 49.82 H new ATOM 0 HE2 LYS A 29 33.303 26.398 7.795 1.00 50.21 H new ATOM 0 HE3 LYS A 29 34.424 27.645 8.305 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.502 27.498 6.389 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 35.705 25.819 6.537 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 34.294 26.444 5.830 1.00 49.70 H new ATOM 469 N ILE A 30 37.449 29.531 12.539 1.00 49.53 N ATOM 470 CA ILE A 30 37.454 30.947 12.952 1.00 50.07 C ATOM 471 C ILE A 30 38.882 31.388 13.301 1.00 50.51 C ATOM 472 O ILE A 30 39.260 32.548 13.015 1.00 49.49 O ATOM 473 CB ILE A 30 36.535 31.191 14.162 1.00 49.91 C ATOM 474 CG1 ILE A 30 35.082 30.870 13.803 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.662 32.627 14.645 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.154 30.823 14.995 1.00 49.73 C ATOM 0 H ILE A 30 37.328 28.855 13.294 1.00 49.53 H new ATOM 0 HA ILE A 30 37.077 31.534 12.114 1.00 50.07 H new ATOM 0 HB ILE A 30 36.844 30.528 14.971 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.717 31.619 13.100 1.00 49.82 H new ATOM 0 HG13 ILE A 30 35.048 29.909 13.290 1.00 49.82 H new ATOM 0 HG21 ILE A 30 36.005 32.782 15.501 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.693 32.822 14.939 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.378 33.307 13.842 1.00 49.73 H new ATOM 0 HD11 ILE A 30 33.143 30.590 14.660 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.492 30.054 15.689 1.00 49.73 H new ATOM 0 HD13 ILE A 30 34.156 31.791 15.496 1.00 49.73 H new ATOM 488 N GLN A 31 39.647 30.557 13.963 1.00 49.53 N ATOM 489 CA GLN A 31 41.043 30.984 14.292 1.00 50.07 C ATOM 490 C GLN A 31 41.908 31.449 13.109 1.00 50.51 C ATOM 491 O GLN A 31 42.828 32.298 13.166 1.00 49.49 O ATOM 492 CB GLN A 31 41.772 29.849 15.016 1.00 49.82 C ATOM 493 CG GLN A 31 43.191 30.189 15.438 1.00 49.82 C ATOM 494 CD GLN A 31 43.750 29.199 16.442 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.440 29.262 17.635 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.581 28.279 15.965 1.00 49.38 N ATOM 0 H GLN A 31 39.377 29.627 14.283 1.00 49.53 H new ATOM 0 HA GLN A 31 40.914 31.865 14.920 1.00 50.07 H new ATOM 0 HB2 GLN A 31 41.199 29.570 15.900 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.798 28.975 14.365 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.833 30.211 14.558 1.00 49.82 H new ATOM 0 HG3 GLN A 31 43.208 31.189 15.870 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.809 28.264 14.971 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.991 27.587 16.593 1.00 49.38 H new ATOM 505 N ASP A 32 41.629 30.838 11.981 1.00 49.53 N ATOM 506 CA ASP A 32 42.358 31.184 10.740 1.00 50.07 C ATOM 507 C ASP A 32 42.185 32.658 10.440 1.00 50.51 C ATOM 508 O ASP A 32 43.111 33.495 10.549 1.00 49.49 O ATOM 509 CB ASP A 32 41.859 30.339 9.564 1.00 49.72 C ATOM 510 CG ASP A 32 41.980 28.837 9.774 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.081 28.365 9.932 1.00 49.24 O ATOM 512 OD2 ASP A 32 40.968 28.196 9.932 1.00 49.24 O ATOM 0 H ASP A 32 40.921 30.111 11.876 1.00 49.53 H new ATOM 0 HA ASP A 32 43.417 30.970 10.885 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.814 30.584 9.374 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.419 30.615 8.670 1.00 49.72 H new ATOM 517 N LYS A 33 40.976 33.062 10.006 1.00 49.53 N ATOM 518 CA LYS A 33 40.855 34.495 9.624 1.00 50.07 C ATOM 519 C LYS A 33 40.708 35.436 10.767 1.00 50.51 C ATOM 520 O LYS A 33 41.420 36.498 10.734 1.00 49.49 O ATOM 521 CB LYS A 33 39.681 34.680 8.660 1.00 49.82 C ATOM 522 CG LYS A 33 39.690 33.730 7.469 1.00 49.82 C ATOM 523 CD LYS A 33 41.027 33.762 6.746 1.00 49.82 C ATOM 524 CE LYS A 33 41.030 32.827 5.544 1.00 50.21 C ATOM 525 NZ LYS A 33 42.351 32.806 4.859 1.00 49.70 N ATOM 0 H LYS A 33 40.139 32.487 9.913 1.00 49.53 H new ATOM 0 HA LYS A 33 41.802 34.748 9.147 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.750 34.545 9.210 1.00 49.82 H new ATOM 0 HB3 LYS A 33 39.687 35.706 8.291 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.482 32.715 7.809 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.893 34.004 6.777 1.00 49.82 H new ATOM 0 HD2 LYS A 33 41.241 34.779 6.418 1.00 49.82 H new ATOM 0 HD3 LYS A 33 41.822 33.475 7.434 1.00 49.82 H new ATOM 0 HE2 LYS A 33 40.773 31.818 5.868 1.00 50.21 H new ATOM 0 HE3 LYS A 33 40.260 33.140 4.839 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 42.311 32.158 4.047 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 42.585 33.763 4.527 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 43.082 32.482 5.524 1.00 49.70 H new ATOM 539 N GLU A 34 39.976 35.174 11.814 1.00 49.53 N ATOM 540 CA GLU A 34 39.803 36.051 12.951 1.00 50.07 C ATOM 541 C GLU A 34 40.842 35.871 14.029 1.00 50.51 C ATOM 542 O GLU A 34 41.008 36.759 14.870 1.00 49.49 O ATOM 543 CB GLU A 34 38.407 35.864 13.549 1.00 49.82 C ATOM 544 CG GLU A 34 37.267 36.241 12.613 1.00 49.72 C ATOM 545 CD GLU A 34 37.253 37.718 12.335 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.366 38.479 13.266 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.243 38.085 11.184 1.00 49.24 O ATOM 0 H GLU A 34 39.456 34.301 11.907 1.00 49.53 H new ATOM 0 HA GLU A 34 39.927 37.064 12.569 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.288 34.822 13.845 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.330 36.464 14.456 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.367 35.694 11.676 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.317 35.943 13.056 1.00 49.72 H new ATOM 554 N GLY A 35 41.485 34.716 14.074 1.00 49.53 N ATOM 555 CA GLY A 35 42.546 34.450 15.008 1.00 49.98 C ATOM 556 C GLY A 35 41.980 34.314 16.365 1.00 50.51 C ATOM 557 O GLY A 35 42.704 34.521 17.375 1.00 49.49 O ATOM 0 H GLY A 35 41.277 33.934 13.453 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.072 33.537 14.728 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.277 35.259 14.986 1.00 49.98 H new ATOM 561 N ILE A 36 40.707 33.897 16.477 1.00 49.53 N ATOM 562 CA ILE A 36 40.124 33.748 17.820 1.00 50.07 C ATOM 563 C ILE A 36 40.244 32.287 18.224 1.00 50.51 C ATOM 564 O ILE A 36 39.663 31.399 17.575 1.00 49.49 O ATOM 565 CB ILE A 36 38.646 34.177 17.859 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.523 35.688 17.644 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.009 33.771 19.179 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.136 36.137 17.248 1.00 49.73 C ATOM 0 H ILE A 36 40.090 33.668 15.698 1.00 49.53 H new ATOM 0 HA ILE A 36 40.664 34.395 18.512 1.00 50.07 H new ATOM 0 HB ILE A 36 38.117 33.670 17.052 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.813 36.201 18.561 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.228 35.994 16.871 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.964 34.082 19.190 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.067 32.689 19.293 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.539 34.251 20.002 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.128 37.219 17.114 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.850 35.653 16.314 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.428 35.863 18.030 1.00 49.73 H new ATOM 580 N PRO A 37 40.969 32.019 19.303 1.00 49.71 N ATOM 581 CA PRO A 37 41.146 30.657 19.837 1.00 50.02 C ATOM 582 C PRO A 37 39.804 30.020 20.149 1.00 50.51 C ATOM 583 O PRO A 37 38.949 30.706 20.768 1.00 49.49 O ATOM 584 CB PRO A 37 41.908 30.965 21.161 1.00 49.82 C ATOM 585 CG PRO A 37 42.705 32.190 20.827 1.00 49.82 C ATOM 586 CD PRO A 37 41.681 33.056 20.107 1.00 50.00 C ATOM 0 HA PRO A 37 41.651 29.969 19.158 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.221 31.146 21.987 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.551 30.136 21.457 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.094 32.678 21.720 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.560 31.958 20.192 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.016 33.574 20.798 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.147 33.818 19.482 1.00 50.00 H new ATOM 594 N PRO A 38 39.604 28.770 19.812 1.00 49.71 N ATOM 595 CA PRO A 38 38.312 28.117 20.081 1.00 50.02 C ATOM 596 C PRO A 38 37.921 28.142 21.534 1.00 50.51 C ATOM 597 O PRO A 38 36.716 28.209 21.900 1.00 49.49 O ATOM 598 CB PRO A 38 38.484 26.723 19.487 1.00 49.82 C ATOM 599 CG PRO A 38 39.492 26.950 18.362 1.00 49.82 C ATOM 600 CD PRO A 38 40.516 27.869 19.063 1.00 50.00 C ATOM 0 HA PRO A 38 37.470 28.640 19.628 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.857 26.013 20.225 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.541 26.326 19.110 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.942 26.019 18.018 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.039 27.426 17.492 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.186 27.316 19.722 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.142 28.410 18.353 1.00 50.00 H new ATOM 608 N ASP A 39 38.877 28.096 22.431 1.00 49.53 N ATOM 609 CA ASP A 39 38.566 28.060 23.886 1.00 50.07 C ATOM 610 C ASP A 39 38.000 29.399 24.341 1.00 50.51 C ATOM 611 O ASP A 39 37.224 29.510 25.330 1.00 49.49 O ATOM 612 CB ASP A 39 39.818 27.712 24.696 1.00 49.72 C ATOM 613 CG ASP A 39 40.351 26.306 24.455 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.636 25.367 24.715 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.401 26.182 23.872 1.00 49.24 O ATOM 0 H ASP A 39 39.872 28.082 22.208 1.00 49.53 H new ATOM 0 HA ASP A 39 37.817 27.287 24.057 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.602 28.431 24.457 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.593 27.826 25.757 1.00 49.72 H new ATOM 620 N GLN A 40 38.279 30.448 23.585 1.00 49.53 N ATOM 621 CA GLN A 40 37.738 31.779 23.948 1.00 50.07 C ATOM 622 C GLN A 40 36.413 32.041 23.207 1.00 50.51 C ATOM 623 O GLN A 40 35.990 33.188 23.137 1.00 49.49 O ATOM 624 CB GLN A 40 38.749 32.881 23.614 1.00 49.82 C ATOM 625 CG GLN A 40 40.104 32.704 24.276 1.00 49.82 C ATOM 626 CD GLN A 40 41.004 33.910 24.084 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.613 34.900 23.459 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.217 33.833 24.617 1.00 49.38 N ATOM 0 H GLN A 40 38.854 30.425 22.743 1.00 49.53 H new ATOM 0 HA GLN A 40 37.551 31.789 25.022 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.887 32.917 22.533 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.333 33.843 23.914 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.964 32.525 25.342 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.593 31.820 23.866 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.498 32.995 25.126 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.868 34.612 24.518 1.00 49.38 H new ATOM 637 N GLN A 41 35.779 31.007 22.700 1.00 49.53 N ATOM 638 CA GLN A 41 34.557 31.116 21.940 1.00 50.07 C ATOM 639 C GLN A 41 33.371 30.535 22.681 1.00 50.51 C ATOM 640 O GLN A 41 33.356 29.427 23.195 1.00 49.49 O ATOM 641 CB GLN A 41 34.708 30.418 20.585 1.00 49.82 C ATOM 642 CG GLN A 41 35.896 30.897 19.768 1.00 49.82 C ATOM 643 CD GLN A 41 36.044 30.137 18.464 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.198 29.309 18.111 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.123 30.411 17.739 1.00 49.38 N ATOM 0 H GLN A 41 36.107 30.047 22.808 1.00 49.53 H new ATOM 0 HA GLN A 41 34.369 32.179 21.788 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.804 29.345 20.750 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.797 30.572 20.006 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.782 31.960 19.555 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.807 30.785 20.356 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.797 31.102 18.068 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.278 29.930 16.853 1.00 49.38 H new ATOM 654 N ARG A 42 32.248 31.241 22.571 1.00 49.53 N ATOM 655 CA ARG A 42 30.947 30.720 23.094 1.00 50.07 C ATOM 656 C ARG A 42 29.975 30.617 21.939 1.00 50.51 C ATOM 657 O ARG A 42 29.862 31.660 21.178 1.00 49.49 O ATOM 658 CB ARG A 42 30.393 31.563 24.233 1.00 49.82 C ATOM 659 CG ARG A 42 28.968 31.227 24.644 1.00 49.82 C ATOM 660 CD ARG A 42 28.561 31.790 25.956 1.00 50.20 C ATOM 661 NE ARG A 42 29.294 31.259 27.094 1.00 49.30 N ATOM 662 CZ ARG A 42 29.198 31.728 28.353 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.433 32.760 28.636 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.913 31.140 29.296 1.00 49.20 N ATOM 0 H ARG A 42 32.192 32.162 22.135 1.00 49.53 H new ATOM 0 HA ARG A 42 31.109 29.732 23.525 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.043 31.447 25.101 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.434 32.613 23.942 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.285 31.593 23.877 1.00 49.82 H new ATOM 0 HG3 ARG A 42 28.858 30.143 24.677 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.691 32.872 25.929 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.498 31.601 26.104 1.00 50.20 H new ATOM 0 HE ARG A 42 29.926 30.476 26.927 1.00 49.30 H new ATOM 0 HH11 ARG A 42 27.901 33.218 27.896 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.372 33.102 29.595 1.00 49.20 H new ATOM 0 HH21 ARG A 42 30.517 30.353 29.061 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.861 31.474 30.258 1.00 49.20 H new ATOM 678 N LEU A 43 29.352 29.462 21.708 1.00 49.53 N ATOM 679 CA LEU A 43 28.432 29.306 20.552 1.00 50.07 C ATOM 680 C LEU A 43 27.010 28.968 20.987 1.00 50.51 C ATOM 681 O LEU A 43 26.702 27.781 21.152 1.00 49.49 O ATOM 682 CB LEU A 43 28.965 28.229 19.599 1.00 49.82 C ATOM 683 CG LEU A 43 30.223 28.617 18.812 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.565 27.528 17.804 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.996 29.948 18.112 1.00 49.73 C ATOM 0 H LEU A 43 29.456 28.628 22.286 1.00 49.53 H new ATOM 0 HA LEU A 43 28.392 30.265 20.035 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.180 27.330 20.177 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.178 27.972 18.890 1.00 49.82 H new ATOM 0 HG LEU A 43 31.063 28.722 19.499 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.460 27.813 17.250 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.746 26.590 18.329 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.734 27.400 17.110 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.891 30.222 17.553 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.153 29.860 17.427 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.781 30.717 18.854 1.00 49.73 H new ATOM 697 N ILE A 44 26.213 30.007 21.218 1.00 49.53 N ATOM 698 CA ILE A 44 24.840 29.864 21.689 1.00 50.07 C ATOM 699 C ILE A 44 23.934 29.983 20.470 1.00 50.51 C ATOM 700 O ILE A 44 24.010 30.911 19.691 1.00 49.49 O ATOM 701 CB ILE A 44 24.468 30.941 22.724 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.376 30.838 23.952 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.006 30.810 23.125 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.065 31.853 25.029 1.00 49.73 C ATOM 0 H ILE A 44 26.503 30.976 21.083 1.00 49.53 H new ATOM 0 HA ILE A 44 24.724 28.900 22.185 1.00 50.07 H new ATOM 0 HB ILE A 44 24.613 31.922 22.272 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.289 29.837 24.374 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.412 30.962 23.637 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.759 31.579 23.857 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.375 30.932 22.245 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.835 29.826 23.561 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.750 31.717 25.866 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.181 32.859 24.625 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.040 31.716 25.373 1.00 49.73 H new ATOM 716 N PHE A 45 23.030 28.976 20.339 1.00 49.53 N ATOM 717 CA PHE A 45 22.044 28.963 19.245 1.00 50.07 C ATOM 718 C PHE A 45 20.654 28.559 19.772 1.00 50.51 C ATOM 719 O PHE A 45 20.474 27.546 20.447 1.00 49.49 O ATOM 720 CB PHE A 45 22.488 28.009 18.135 1.00 49.82 C ATOM 721 CG PHE A 45 21.476 27.848 17.036 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.344 28.813 16.050 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.656 26.731 16.986 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.414 28.666 15.037 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.726 26.580 15.975 1.00 49.88 C ATOM 726 CZ PHE A 45 19.605 27.549 15.000 1.00 49.88 C ATOM 0 H PHE A 45 22.970 28.178 20.971 1.00 49.53 H new ATOM 0 HA PHE A 45 21.978 29.970 18.833 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.422 28.374 17.707 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.697 27.032 18.570 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.974 29.690 16.073 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.745 25.969 17.747 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.321 29.426 14.275 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.094 25.704 15.948 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.878 27.433 14.209 1.00 49.88 H new ATOM 736 N ALA A 46 19.737 29.450 19.485 1.00 49.53 N ATOM 737 CA ALA A 46 18.310 29.282 19.824 1.00 50.07 C ATOM 738 C ALA A 46 18.076 28.949 21.290 1.00 50.51 C ATOM 739 O ALA A 46 17.216 28.131 21.647 1.00 49.49 O ATOM 740 CB ALA A 46 17.697 28.230 18.955 1.00 49.73 C ATOM 0 H ALA A 46 19.943 30.326 19.005 1.00 49.53 H new ATOM 0 HA ALA A 46 17.830 30.244 19.642 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.644 28.113 19.213 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.784 28.526 17.909 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.215 27.284 19.109 1.00 49.73 H new ATOM 746 N GLY A 47 18.884 29.554 22.112 1.00 49.53 N ATOM 747 CA GLY A 47 18.939 29.457 23.541 1.00 49.98 C ATOM 748 C GLY A 47 19.595 28.218 24.092 1.00 50.51 C ATOM 749 O GLY A 47 19.329 27.843 25.256 1.00 49.49 O ATOM 0 H GLY A 47 19.595 30.195 21.759 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.471 30.328 23.925 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.922 29.509 23.929 1.00 49.98 H new ATOM 753 N LYS A 48 20.471 27.604 23.345 1.00 49.53 N ATOM 754 CA LYS A 48 21.207 26.418 23.803 1.00 50.07 C ATOM 755 C LYS A 48 22.697 26.518 23.424 1.00 50.51 C ATOM 756 O LYS A 48 22.983 26.902 22.301 1.00 49.49 O ATOM 757 CB LYS A 48 20.597 25.145 23.213 1.00 49.82 C ATOM 758 CG LYS A 48 19.120 24.951 23.527 1.00 49.82 C ATOM 759 CD LYS A 48 18.506 23.866 22.656 1.00 49.82 C ATOM 760 CE LYS A 48 17.021 23.699 22.941 1.00 50.21 C ATOM 761 NZ LYS A 48 16.403 22.656 22.079 1.00 49.70 N ATOM 0 H LYS A 48 20.708 27.898 22.398 1.00 49.53 H new ATOM 0 HA LYS A 48 21.129 26.372 24.889 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.727 25.162 22.131 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.151 24.284 23.587 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.001 24.687 24.578 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.587 25.889 23.372 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.650 24.116 21.605 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.020 22.921 22.832 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.880 23.434 23.989 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.512 24.650 22.782 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.391 22.574 22.305 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.514 22.921 21.080 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.871 21.743 22.249 1.00 49.70 H new ATOM 775 N GLN A 49 23.577 26.173 24.325 1.00 49.53 N ATOM 776 CA GLN A 49 25.027 26.134 23.978 1.00 50.07 C ATOM 777 C GLN A 49 25.383 24.942 23.094 1.00 50.51 C ATOM 778 O GLN A 49 24.991 23.797 23.442 1.00 49.49 O ATOM 779 CB GLN A 49 25.876 26.099 25.251 1.00 49.82 C ATOM 780 CG GLN A 49 25.912 27.413 26.012 1.00 49.82 C ATOM 781 CD GLN A 49 26.522 27.266 27.393 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.742 27.137 27.538 1.00 49.45 O ATOM 783 NE2 GLN A 49 25.677 27.278 28.417 1.00 49.38 N ATOM 0 H GLN A 49 23.354 25.916 25.287 1.00 49.53 H new ATOM 0 HA GLN A 49 25.242 27.041 23.412 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.491 25.321 25.910 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.895 25.817 24.987 1.00 49.82 H new ATOM 0 HG2 GLN A 49 26.484 28.144 25.441 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.899 27.803 26.105 1.00 49.82 H new ATOM 0 HE21 GLN A 49 24.676 27.387 28.251 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.028 27.178 29.369 1.00 49.38 H new ATOM 792 N LEU A 50 26.048 25.175 21.987 1.00 49.53 N ATOM 793 CA LEU A 50 26.365 24.112 21.020 1.00 50.07 C ATOM 794 C LEU A 50 27.533 23.349 21.623 1.00 50.51 C ATOM 795 O LEU A 50 28.316 23.968 22.315 1.00 49.49 O ATOM 796 CB LEU A 50 26.730 24.704 19.652 1.00 49.82 C ATOM 797 CG LEU A 50 25.564 25.341 18.886 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.095 26.156 17.713 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.618 24.253 18.401 1.00 49.73 C ATOM 0 H LEU A 50 26.390 26.098 21.718 1.00 49.53 H new ATOM 0 HA LEU A 50 25.511 23.458 20.845 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.505 25.457 19.795 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.161 23.915 19.036 1.00 49.82 H new ATOM 0 HG LEU A 50 25.016 26.011 19.549 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.260 26.605 17.174 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.752 26.942 18.084 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.653 25.505 17.040 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.790 24.707 17.857 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.155 23.571 17.742 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.230 23.700 19.257 1.00 49.73 H new ATOM 811 N GLU A 51 27.625 22.049 21.342 1.00 49.53 N ATOM 812 CA GLU A 51 28.703 21.227 21.931 1.00 50.07 C ATOM 813 C GLU A 51 29.789 20.873 20.952 1.00 50.51 C ATOM 814 O GLU A 51 29.509 20.770 19.760 1.00 49.49 O ATOM 815 CB GLU A 51 28.119 19.949 22.537 1.00 49.82 C ATOM 816 CG GLU A 51 29.140 19.060 23.233 1.00 49.72 C ATOM 817 CD GLU A 51 28.468 17.972 24.026 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.261 17.938 24.046 1.00 49.24 O ATOM 819 OE2 GLU A 51 29.158 17.110 24.517 1.00 49.24 O ATOM 0 H GLU A 51 26.987 21.544 20.727 1.00 49.53 H new ATOM 0 HA GLU A 51 29.165 21.838 22.707 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.345 20.222 23.254 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.634 19.375 21.747 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.804 18.615 22.491 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.761 19.664 23.894 1.00 49.72 H new ATOM 826 N ASP A 52 31.032 20.802 21.360 1.00 49.53 N ATOM 827 CA ASP A 52 32.200 20.558 20.520 1.00 50.07 C ATOM 828 C ASP A 52 32.062 19.199 19.855 1.00 50.51 C ATOM 829 O ASP A 52 32.578 19.031 18.714 1.00 49.49 O ATOM 830 CB ASP A 52 33.487 20.620 21.347 1.00 49.72 C ATOM 831 CG ASP A 52 33.498 19.703 22.563 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.592 18.917 22.699 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.486 19.686 23.259 1.00 49.24 O ATOM 0 H ASP A 52 31.280 20.918 22.343 1.00 49.53 H new ATOM 0 HA ASP A 52 32.257 21.333 19.755 1.00 50.07 H new ATOM 0 HB2 ASP A 52 34.330 20.363 20.705 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.642 21.646 21.680 1.00 49.72 H new ATOM 838 N GLY A 53 31.490 18.235 20.542 1.00 49.53 N ATOM 839 CA GLY A 53 31.333 16.849 20.061 1.00 49.98 C ATOM 840 C GLY A 53 30.059 16.558 19.342 1.00 50.51 C ATOM 841 O GLY A 53 29.649 15.381 19.217 1.00 49.49 O ATOM 0 H GLY A 53 31.106 18.380 21.476 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.166 16.617 19.397 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.410 16.176 20.915 1.00 49.98 H new ATOM 845 N ARG A 54 29.369 17.561 18.812 1.00 49.53 N ATOM 846 CA ARG A 54 28.141 17.344 18.022 1.00 50.07 C ATOM 847 C ARG A 54 28.435 18.143 16.760 1.00 50.51 C ATOM 848 O ARG A 54 29.352 18.990 16.745 1.00 49.49 O ATOM 849 CB ARG A 54 26.872 17.790 18.732 1.00 49.82 C ATOM 850 CG ARG A 54 26.669 17.192 20.115 1.00 49.82 C ATOM 851 CD ARG A 54 26.352 15.741 20.114 1.00 50.20 C ATOM 852 NE ARG A 54 26.020 15.195 21.420 1.00 49.30 N ATOM 853 CZ ARG A 54 26.923 14.767 22.323 1.00 50.64 C ATOM 854 NH1 ARG A 54 28.210 14.784 22.054 1.00 49.20 N ATOM 855 NH2 ARG A 54 26.480 14.307 23.480 1.00 49.20 N ATOM 0 H ARG A 54 29.633 18.541 18.910 1.00 49.53 H new ATOM 0 HA ARG A 54 27.933 16.291 17.833 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.885 18.876 18.820 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.015 17.531 18.110 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.572 17.354 20.704 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.862 17.728 20.615 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.516 15.565 19.438 1.00 50.20 H new ATOM 0 HD3 ARG A 54 27.206 15.196 19.713 1.00 50.20 H new ATOM 0 HE ARG A 54 25.033 15.132 21.670 1.00 49.30 H new ATOM 0 HH11 ARG A 54 28.538 15.125 21.150 1.00 49.20 H new ATOM 0 HH12 ARG A 54 28.881 14.456 22.749 1.00 49.20 H new ATOM 0 HH21 ARG A 54 25.478 14.283 23.669 1.00 49.20 H new ATOM 0 HH22 ARG A 54 27.140 13.976 24.184 1.00 49.20 H new ATOM 869 N THR A 55 27.624 17.959 15.748 1.00 49.53 N ATOM 870 CA THR A 55 27.719 18.694 14.467 1.00 50.07 C ATOM 871 C THR A 55 26.537 19.687 14.372 1.00 50.51 C ATOM 872 O THR A 55 25.477 19.446 14.939 1.00 49.49 O ATOM 873 CB THR A 55 27.689 17.743 13.256 1.00 50.14 C ATOM 874 OG1 THR A 55 26.430 17.059 13.213 1.00 49.34 O ATOM 875 CG2 THR A 55 28.813 16.723 13.352 1.00 49.73 C ATOM 0 H THR A 55 26.858 17.286 15.771 1.00 49.53 H new ATOM 0 HA THR A 55 28.671 19.224 14.447 1.00 50.07 H new ATOM 0 HB THR A 55 27.822 18.331 12.348 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.400 16.384 13.922 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.777 16.059 12.488 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.773 17.240 13.372 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.696 16.138 14.264 1.00 49.73 H new ATOM 883 N LEU A 56 26.754 20.759 13.635 1.00 49.53 N ATOM 884 CA LEU A 56 25.713 21.773 13.393 1.00 50.07 C ATOM 885 C LEU A 56 24.422 21.066 12.993 1.00 50.51 C ATOM 886 O LEU A 56 23.392 21.428 13.494 1.00 49.49 O ATOM 887 CB LEU A 56 26.159 22.752 12.299 1.00 49.82 C ATOM 888 CG LEU A 56 27.204 23.787 12.737 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.684 24.585 11.532 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.600 24.708 13.786 1.00 49.73 C ATOM 0 H LEU A 56 27.646 20.963 13.184 1.00 49.53 H new ATOM 0 HA LEU A 56 25.544 22.349 14.303 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.565 22.180 11.465 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.281 23.280 11.926 1.00 49.82 H new ATOM 0 HG LEU A 56 28.062 23.275 13.172 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.425 25.317 11.852 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.132 23.910 10.803 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.838 25.100 11.077 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.343 25.443 14.096 1.00 49.73 H new ATOM 0 HD22 LEU A 56 25.736 25.222 13.365 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.288 24.121 14.650 1.00 49.73 H new ATOM 902 N SER A 57 24.529 19.997 12.177 1.00 49.53 N ATOM 903 CA SER A 57 23.272 19.316 11.778 1.00 50.07 C ATOM 904 C SER A 57 22.561 18.531 12.859 1.00 50.51 C ATOM 905 O SER A 57 21.301 18.393 12.826 1.00 49.49 O ATOM 906 CB SER A 57 23.550 18.405 10.598 1.00 50.05 C ATOM 907 OG SER A 57 22.400 17.727 10.175 1.00 49.34 O ATOM 0 H SER A 57 25.395 19.608 11.805 1.00 49.53 H new ATOM 0 HA SER A 57 22.586 20.125 11.527 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.948 18.994 9.772 1.00 50.05 H new ATOM 0 HB3 SER A 57 24.317 17.681 10.872 1.00 50.05 H new ATOM 0 HG SER A 57 22.621 17.152 9.413 1.00 49.34 H new ATOM 913 N ASP A 58 23.306 18.039 13.832 1.00 49.53 N ATOM 914 CA ASP A 58 22.709 17.256 14.947 1.00 50.07 C ATOM 915 C ASP A 58 21.643 18.097 15.657 1.00 50.51 C ATOM 916 O ASP A 58 20.789 17.599 16.395 1.00 49.49 O ATOM 917 CB ASP A 58 23.788 16.816 15.939 1.00 49.72 C ATOM 918 CG ASP A 58 24.624 15.631 15.475 1.00 50.62 C ATOM 919 OD1 ASP A 58 24.052 14.671 15.015 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.824 15.755 15.438 1.00 49.24 O ATOM 0 H ASP A 58 24.318 18.155 13.891 1.00 49.53 H new ATOM 0 HA ASP A 58 22.242 16.361 14.536 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.451 17.659 16.133 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.312 16.561 16.886 1.00 49.72 H new ATOM 925 N TYR A 59 21.820 19.385 15.587 1.00 49.53 N ATOM 926 CA TYR A 59 20.917 20.371 16.180 1.00 50.07 C ATOM 927 C TYR A 59 19.732 20.839 15.365 1.00 50.51 C ATOM 928 O TYR A 59 18.901 21.583 15.923 1.00 49.49 O ATOM 929 CB TYR A 59 21.723 21.596 16.616 1.00 49.82 C ATOM 930 CG TYR A 59 22.529 21.381 17.878 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.926 21.439 19.126 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.891 21.124 17.819 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.657 21.244 20.282 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.632 20.927 18.968 1.00 49.88 C ATOM 935 CZ TYR A 59 24.010 20.987 20.198 1.00 50.11 C ATOM 936 OH TYR A 59 24.743 20.793 21.347 1.00 49.46 O ATOM 0 H TYR A 59 22.615 19.806 15.105 1.00 49.53 H new ATOM 0 HA TYR A 59 20.464 19.824 17.007 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.398 21.881 15.809 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.041 22.432 16.770 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.867 21.640 19.195 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.381 21.077 16.858 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.172 21.292 21.246 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.691 20.727 18.904 1.00 49.88 H new ATOM 0 HH TYR A 59 25.491 20.188 21.160 1.00 49.46 H new ATOM 946 N ASN A 60 19.567 20.466 14.114 1.00 49.53 N ATOM 947 CA ASN A 60 18.392 20.946 13.357 1.00 50.07 C ATOM 948 C ASN A 60 18.542 22.410 12.961 1.00 50.51 C ATOM 949 O ASN A 60 17.545 23.142 12.806 1.00 49.49 O ATOM 950 CB ASN A 60 17.109 20.744 14.140 1.00 49.82 C ATOM 951 CG ASN A 60 16.942 19.351 14.680 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.131 18.360 13.965 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.508 19.270 15.912 1.00 49.38 N ATOM 0 H ASN A 60 20.199 19.853 13.598 1.00 49.53 H new ATOM 0 HA ASN A 60 18.336 20.350 12.446 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.085 21.451 14.970 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.261 20.979 13.497 1.00 49.82 H new ATOM 0 HD21 ASN A 60 16.309 18.358 16.324 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.368 20.119 16.460 1.00 49.38 H new ATOM 960 N ILE A 61 19.763 22.840 12.718 1.00 49.53 N ATOM 961 CA ILE A 61 20.015 24.231 12.234 1.00 50.07 C ATOM 962 C ILE A 61 19.776 24.324 10.729 1.00 50.51 C ATOM 963 O ILE A 61 20.747 23.955 10.005 1.00 49.49 O ATOM 964 CB ILE A 61 21.449 24.691 12.550 1.00 49.91 C ATOM 965 CG1 ILE A 61 21.674 24.736 14.063 1.00 49.82 C ATOM 966 CG2 ILE A 61 21.721 26.052 11.928 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.069 25.161 14.461 1.00 49.73 C ATOM 0 H ILE A 61 20.603 22.274 12.838 1.00 49.53 H new ATOM 0 HA ILE A 61 19.319 24.886 12.758 1.00 50.07 H new ATOM 0 HB ILE A 61 22.146 23.972 12.119 1.00 49.91 H new ATOM 0 HG12 ILE A 61 20.954 25.423 14.507 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.472 23.749 14.480 1.00 49.82 H new ATOM 0 HG21 ILE A 61 22.740 26.362 12.162 1.00 49.73 H new ATOM 0 HG22 ILE A 61 21.600 25.989 10.847 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.019 26.782 12.329 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.151 25.169 15.548 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.795 24.461 14.047 1.00 49.73 H new ATOM 0 HD13 ILE A 61 23.269 26.161 14.075 1.00 49.73 H new ATOM 979 N GLN A 62 18.679 24.884 10.304 1.00 49.53 N ATOM 980 CA GLN A 62 18.302 24.973 8.863 1.00 50.07 C ATOM 981 C GLN A 62 18.460 26.309 8.129 1.00 50.51 C ATOM 982 O GLN A 62 19.070 27.243 8.677 1.00 49.49 O ATOM 983 CB GLN A 62 16.855 24.505 8.691 1.00 49.82 C ATOM 984 CG GLN A 62 16.663 23.006 8.851 1.00 49.82 C ATOM 985 CD GLN A 62 15.254 22.563 8.502 1.00 50.55 C ATOM 986 OE1 GLN A 62 14.446 23.351 8.002 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.950 21.299 8.767 1.00 49.38 N ATOM 0 H GLN A 62 17.993 25.305 10.930 1.00 49.53 H new ATOM 0 HA GLN A 62 19.047 24.333 8.390 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.229 25.020 9.420 1.00 49.82 H new ATOM 0 HB3 GLN A 62 16.504 24.802 7.703 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.374 22.481 8.213 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.886 22.721 9.879 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.649 20.682 9.181 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.017 20.944 8.557 1.00 49.38 H new ATOM 996 N LYS A 63 17.949 26.404 6.904 1.00 49.53 N ATOM 997 CA LYS A 63 18.091 27.591 6.089 1.00 50.07 C ATOM 998 C LYS A 63 17.598 28.741 6.965 1.00 50.51 C ATOM 999 O LYS A 63 16.639 28.646 7.716 1.00 49.49 O ATOM 1000 CB LYS A 63 17.272 27.486 4.803 1.00 49.82 C ATOM 1001 CG LYS A 63 17.334 28.721 3.915 1.00 49.82 C ATOM 1002 CD LYS A 63 16.617 28.490 2.593 1.00 49.82 C ATOM 1003 CE LYS A 63 16.751 29.693 1.671 1.00 50.21 C ATOM 1004 NZ LYS A 63 16.059 30.892 2.216 1.00 49.70 N ATOM 0 H LYS A 63 17.425 25.654 6.454 1.00 49.53 H new ATOM 0 HA LYS A 63 19.123 27.738 5.770 1.00 50.07 H new ATOM 0 HB2 LYS A 63 17.622 26.626 4.233 1.00 49.82 H new ATOM 0 HB3 LYS A 63 16.231 27.293 5.064 1.00 49.82 H new ATOM 0 HG2 LYS A 63 16.882 29.567 4.433 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.375 28.983 3.725 1.00 49.82 H new ATOM 0 HD2 LYS A 63 17.028 27.607 2.104 1.00 49.82 H new ATOM 0 HD3 LYS A 63 15.562 28.289 2.780 1.00 49.82 H new ATOM 0 HE2 LYS A 63 17.807 29.920 1.522 1.00 50.21 H new ATOM 0 HE3 LYS A 63 16.337 29.448 0.693 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 15.371 31.242 1.519 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 15.564 30.638 3.094 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 16.758 31.636 2.416 1.00 49.70 H new ATOM 1018 N GLU A 64 18.371 29.831 6.863 1.00 49.53 N ATOM 1019 CA GLU A 64 18.153 31.072 7.560 1.00 50.07 C ATOM 1020 C GLU A 64 18.210 30.987 9.056 1.00 50.51 C ATOM 1021 O GLU A 64 17.228 31.282 9.782 1.00 49.49 O ATOM 1022 CB GLU A 64 16.810 31.674 7.140 1.00 49.82 C ATOM 1023 CG GLU A 64 16.773 32.191 5.708 1.00 49.72 C ATOM 1024 CD GLU A 64 15.435 32.790 5.378 1.00 50.62 C ATOM 1025 OE1 GLU A 64 15.125 33.831 5.906 1.00 49.24 O ATOM 1026 OE2 GLU A 64 14.769 32.270 4.514 1.00 49.24 O ATOM 0 H GLU A 64 19.196 29.856 6.263 1.00 49.53 H new ATOM 0 HA GLU A 64 18.988 31.709 7.270 1.00 50.07 H new ATOM 0 HB2 GLU A 64 16.033 30.919 7.261 1.00 49.82 H new ATOM 0 HB3 GLU A 64 16.566 32.494 7.816 1.00 49.82 H new ATOM 0 HG2 GLU A 64 17.553 32.940 5.569 1.00 49.72 H new ATOM 0 HG3 GLU A 64 16.988 31.375 5.019 1.00 49.72 H new ATOM 1033 N SER A 65 19.410 30.726 9.552 1.00 49.53 N ATOM 1034 CA SER A 65 19.709 30.709 10.989 1.00 50.07 C ATOM 1035 C SER A 65 21.042 31.446 11.254 1.00 50.51 C ATOM 1036 O SER A 65 21.836 31.635 10.339 1.00 49.49 O ATOM 1037 CB SER A 65 19.774 29.282 11.498 1.00 50.05 C ATOM 1038 OG SER A 65 18.576 28.589 11.278 1.00 49.34 O ATOM 0 H SER A 65 20.218 30.517 8.966 1.00 49.53 H new ATOM 0 HA SER A 65 18.912 31.224 11.525 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.592 28.758 11.003 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.998 29.288 12.565 1.00 50.05 H new ATOM 0 HG SER A 65 18.637 28.089 10.437 1.00 49.34 H new ATOM 1044 N THR A 66 21.089 32.227 12.301 1.00 49.53 N ATOM 1045 CA THR A 66 22.313 32.917 12.721 1.00 50.07 C ATOM 1046 C THR A 66 22.857 32.448 14.071 1.00 50.51 C ATOM 1047 O THR A 66 22.047 32.288 15.012 1.00 49.49 O ATOM 1048 CB THR A 66 22.096 34.440 12.785 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.740 34.928 11.485 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.363 35.140 13.254 1.00 49.73 C ATOM 0 H THR A 66 20.284 32.413 12.899 1.00 49.53 H new ATOM 0 HA THR A 66 23.052 32.664 11.960 1.00 50.07 H new ATOM 0 HB THR A 66 21.294 34.649 13.493 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.600 35.897 11.526 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.191 36.216 13.293 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.632 34.779 14.247 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.175 34.927 12.558 1.00 49.73 H new ATOM 1058 N LEU A 67 24.161 32.168 14.152 1.00 49.53 N ATOM 1059 CA LEU A 67 24.765 31.817 15.444 1.00 50.07 C ATOM 1060 C LEU A 67 25.282 33.066 16.187 1.00 50.51 C ATOM 1061 O LEU A 67 25.786 33.933 15.454 1.00 49.49 O ATOM 1062 CB LEU A 67 25.903 30.809 15.239 1.00 49.82 C ATOM 1063 CG LEU A 67 25.552 29.596 14.370 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.713 28.611 14.354 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.291 28.934 14.906 1.00 49.73 C ATOM 0 H LEU A 67 24.806 32.176 13.362 1.00 49.53 H new ATOM 0 HA LEU A 67 23.991 31.362 16.062 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.749 31.327 14.787 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.232 30.453 16.215 1.00 49.82 H new ATOM 0 HG LEU A 67 25.369 29.923 13.347 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.454 27.753 13.734 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.598 29.099 13.946 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.919 28.275 15.370 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.042 28.072 14.288 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.459 28.608 15.932 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.467 29.647 14.882 1.00 49.73 H new ATOM 1077 N HIS A 68 25.210 33.077 17.469 1.00 49.53 N ATOM 1078 CA HIS A 68 25.740 34.240 18.220 1.00 50.07 C ATOM 1079 C HIS A 68 27.151 33.872 18.672 1.00 50.51 C ATOM 1080 O HIS A 68 27.399 32.735 19.130 1.00 49.49 O ATOM 1081 CB HIS A 68 24.854 34.578 19.424 1.00 49.92 C ATOM 1082 CG HIS A 68 23.552 35.216 19.053 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.365 36.582 19.063 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.374 34.676 18.662 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.126 36.856 18.692 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.504 35.716 18.445 1.00 49.64 N ATOM 0 H HIS A 68 24.808 32.333 18.040 1.00 49.53 H new ATOM 0 HA HIS A 68 25.753 35.127 17.586 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.654 33.665 19.985 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.400 35.247 20.089 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.159 33.624 18.543 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.696 37.843 18.605 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.534 35.624 18.142 1.00 49.64 H new ATOM 1094 N LEU A 69 28.062 34.828 18.614 1.00 49.53 N ATOM 1095 CA LEU A 69 29.429 34.628 19.085 1.00 50.07 C ATOM 1096 C LEU A 69 29.716 35.317 20.386 1.00 50.51 C ATOM 1097 O LEU A 69 29.560 36.589 20.433 1.00 49.49 O ATOM 1098 CB LEU A 69 30.423 35.095 18.015 1.00 49.82 C ATOM 1099 CG LEU A 69 31.904 34.956 18.393 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.296 33.486 18.436 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.759 35.714 17.389 1.00 49.73 C ATOM 0 H LEU A 69 27.881 35.760 18.242 1.00 49.53 H new ATOM 0 HA LEU A 69 29.544 33.559 19.267 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.243 34.527 17.102 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.220 36.141 17.785 1.00 49.82 H new ATOM 0 HG LEU A 69 32.068 35.381 19.383 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.349 33.398 18.705 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.687 32.969 19.178 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.133 33.037 17.456 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.811 35.615 17.658 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.599 35.303 16.392 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.481 36.768 17.396 1.00 49.73 H new ATOM 1113 N VAL A 70 30.006 34.612 21.430 1.00 49.53 N ATOM 1114 CA VAL A 70 30.404 35.256 22.715 1.00 50.07 C ATOM 1115 C VAL A 70 31.809 34.828 23.169 1.00 50.51 C ATOM 1116 O VAL A 70 32.154 33.632 23.032 1.00 49.49 O ATOM 1117 CB VAL A 70 29.399 34.938 23.837 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.775 35.675 25.114 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.987 35.306 23.408 1.00 49.73 C ATOM 0 H VAL A 70 29.986 33.593 21.455 1.00 49.53 H new ATOM 0 HA VAL A 70 30.411 36.329 22.525 1.00 50.07 H new ATOM 0 HB VAL A 70 29.432 33.866 24.034 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.054 35.439 25.896 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.771 35.366 25.433 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.770 36.749 24.929 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.290 35.074 24.213 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.941 36.372 23.184 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.717 34.736 22.519 1.00 49.73 H new ATOM 1129 N LEU A 71 32.596 35.755 23.660 1.00 49.53 N ATOM 1130 CA LEU A 71 33.952 35.423 24.152 1.00 50.07 C ATOM 1131 C LEU A 71 34.039 35.447 25.655 1.00 50.51 C ATOM 1132 O LEU A 71 33.955 36.518 26.288 1.00 49.49 O ATOM 1133 CB LEU A 71 34.981 36.387 23.547 1.00 49.82 C ATOM 1134 CG LEU A 71 34.955 36.495 22.018 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.949 37.550 21.551 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.279 35.140 21.406 1.00 49.73 C ATOM 0 H LEU A 71 32.344 36.740 23.738 1.00 49.53 H new ATOM 0 HA LEU A 71 34.172 34.404 23.833 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.817 37.379 23.968 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.977 36.070 23.856 1.00 49.82 H new ATOM 0 HG LEU A 71 33.960 36.797 21.693 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.923 37.619 20.463 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.684 38.515 21.982 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.953 37.272 21.873 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.260 35.218 20.319 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.270 34.822 21.730 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.539 34.408 21.730 1.00 49.73 H new ATOM 1148 N ARG A 72 34.273 34.338 26.250 1.00 49.53 N ATOM 1149 CA ARG A 72 34.445 34.216 27.714 1.00 50.07 C ATOM 1150 C ARG A 72 35.938 34.432 27.949 1.00 50.51 C ATOM 1151 O ARG A 72 36.662 33.489 27.495 1.00 49.49 O ATOM 1152 CB ARG A 72 33.948 32.888 28.266 1.00 49.82 C ATOM 1153 CG ARG A 72 33.776 32.848 29.776 1.00 49.82 C ATOM 1154 CD ARG A 72 33.448 31.505 30.319 1.00 50.20 C ATOM 1155 NE ARG A 72 33.305 31.459 31.766 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.007 30.350 32.470 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.786 29.203 31.866 1.00 49.20 N ATOM 1158 NH2 ARG A 72 32.921 30.449 33.785 1.00 49.20 N ATOM 0 H ARG A 72 34.359 33.450 25.755 1.00 49.53 H new ATOM 0 HA ARG A 72 33.841 34.949 28.248 1.00 50.07 H new ATOM 0 HB2 ARG A 72 32.992 32.652 27.799 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.647 32.105 27.973 1.00 49.82 H new ATOM 0 HG2 ARG A 72 34.695 33.202 30.244 1.00 49.82 H new ATOM 0 HG3 ARG A 72 32.986 33.544 30.058 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.520 31.159 29.863 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.229 30.806 30.021 1.00 50.20 H new ATOM 0 HE ARG A 72 33.440 32.327 32.284 1.00 49.30 H new ATOM 0 HH11 ARG A 72 32.839 29.144 30.849 1.00 49.20 H new ATOM 0 HH12 ARG A 72 32.562 28.373 32.414 1.00 49.20 H new ATOM 0 HH21 ARG A 72 33.079 31.348 34.240 1.00 49.20 H new ATOM 0 HH22 ARG A 72 32.697 29.626 34.345 1.00 49.20 H new ATOM 1172 N LEU A 73 36.366 35.488 28.556 1.00 49.53 N ATOM 1173 CA LEU A 73 37.822 35.688 28.763 1.00 50.07 C ATOM 1174 C LEU A 73 38.307 35.104 30.083 1.00 50.51 C ATOM 1175 O LEU A 73 37.772 35.416 31.158 1.00 49.49 O ATOM 1176 CB LEU A 73 38.164 37.182 28.689 1.00 49.82 C ATOM 1177 CG LEU A 73 38.138 37.788 27.280 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.705 38.107 26.875 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.997 39.043 27.250 1.00 49.73 C ATOM 0 H LEU A 73 35.770 36.230 28.923 1.00 49.53 H new ATOM 0 HA LEU A 73 38.338 35.153 27.966 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.462 37.731 29.316 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.156 37.333 29.114 1.00 49.82 H new ATOM 0 HG LEU A 73 38.542 37.069 26.568 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.697 38.537 25.873 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.113 37.192 26.882 1.00 49.73 H new ATOM 0 HD13 LEU A 73 36.278 38.821 27.579 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.978 39.473 26.249 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.607 39.768 27.964 1.00 49.73 H new ATOM 0 HD23 LEU A 73 40.023 38.788 27.516 1.00 49.73 H new ATOM 1191 N ARG A 74 39.391 34.355 29.968 1.00 49.53 N ATOM 1192 CA ARG A 74 40.013 33.691 31.125 1.00 50.07 C ATOM 1193 C ARG A 74 41.037 34.567 31.842 1.00 50.51 C ATOM 1194 O ARG A 74 42.247 34.496 31.558 1.00 49.49 O ATOM 1195 CB ARG A 74 40.613 32.344 30.749 1.00 49.82 C ATOM 1196 CG ARG A 74 39.604 31.292 30.319 1.00 49.82 C ATOM 1197 CD ARG A 74 40.209 30.040 29.798 1.00 50.20 C ATOM 1198 NE ARG A 74 39.248 29.057 29.325 1.00 49.30 N ATOM 1199 CZ ARG A 74 38.586 28.190 30.117 1.00 50.64 C ATOM 1200 NH1 ARG A 74 38.806 28.155 31.413 1.00 49.20 N ATOM 1201 NH2 ARG A 74 37.728 27.359 29.553 1.00 49.20 N ATOM 0 H ARG A 74 39.869 34.185 29.083 1.00 49.53 H new ATOM 0 HA ARG A 74 39.204 33.515 31.834 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.327 32.494 29.939 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.174 31.962 31.602 1.00 49.82 H new ATOM 0 HG2 ARG A 74 38.967 31.047 31.169 1.00 49.82 H new ATOM 0 HG3 ARG A 74 38.959 31.717 29.550 1.00 49.82 H new ATOM 0 HD2 ARG A 74 40.885 30.291 28.981 1.00 50.20 H new ATOM 0 HD3 ARG A 74 40.814 29.589 30.585 1.00 50.20 H new ATOM 0 HE ARG A 74 39.061 29.021 28.323 1.00 49.30 H new ATOM 0 HH11 ARG A 74 39.486 28.790 31.832 1.00 49.20 H new ATOM 0 HH12 ARG A 74 38.297 27.493 31.999 1.00 49.20 H new ATOM 0 HH21 ARG A 74 37.581 27.385 28.544 1.00 49.20 H new ATOM 0 HH22 ARG A 74 37.212 26.692 30.127 1.00 49.20 H new ATOM 1215 N GLY A 75 40.514 35.497 32.632 1.00 49.53 N ATOM 1216 CA GLY A 75 41.319 36.425 33.414 1.00 49.98 C ATOM 1217 C GLY A 75 40.448 37.640 33.662 1.00 50.51 C ATOM 1218 O GLY A 75 39.217 37.556 33.800 1.00 49.49 O ATOM 0 H GLY A 75 39.509 35.629 32.748 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.631 35.972 34.355 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.227 36.700 32.877 1.00 49.98 H new ATOM 1222 N GLY A 76 41.124 38.773 33.725 1.00 49.53 N ATOM 1223 CA GLY A 76 40.519 40.096 33.939 1.00 49.98 C ATOM 1224 C GLY A 76 40.227 40.277 35.437 1.00 50.51 C ATOM 1225 O GLY A 76 39.134 40.803 35.728 1.00 49.49 O ATOM 0 H GLY A 76 42.139 38.810 33.627 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.192 40.879 33.590 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.598 40.187 33.362 1.00 49.98 H new TER 1229 GLY A 76