USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 144:sc= 1.79 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 133:sc= 0.998 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.715 (180deg=0.605) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.04) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 25 ASN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.54 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 2.44 (180deg=2.24) USER MOD Single : A 31 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.977 (180deg=-0.304) USER MOD Single : A 40 GLN : amide:sc= 1.11 K(o=1.1,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= 1.69 K(o=1.7,f=-3.1!) 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 -44:sc= 1.23 USER MOD Single : A 57 SER OG : rot 90:sc= 1.14 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.253 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0.996) USER MOD Single : A 65 SER OG : rot 62:sc= 1.48 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.748 52.230 19.600 1.00 0.00 N ATOM 2 CA MET A 1 32.864 52.048 21.056 1.00 0.00 C ATOM 3 C MET A 1 34.330 52.251 21.443 1.00 0.00 C ATOM 4 O MET A 1 35.198 51.655 20.807 1.00 0.00 O ATOM 5 CB MET A 1 32.294 50.690 21.453 1.00 0.00 C ATOM 6 CG MET A 1 32.376 50.390 22.947 1.00 0.00 C ATOM 7 SD MET A 1 33.899 49.562 23.472 1.00 0.00 S ATOM 8 CE MET A 1 33.545 47.850 23.002 1.00 0.00 C ATOM 0 H1 MET A 1 31.747 52.350 19.344 1.00 0.00 H new ATOM 0 H2 MET A 1 33.283 53.074 19.312 1.00 0.00 H new ATOM 0 H3 MET A 1 33.132 51.394 19.114 1.00 0.00 H new ATOM 0 HA MET A 1 32.278 52.783 21.608 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.251 50.641 21.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.827 49.911 20.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.280 51.326 23.497 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.526 49.767 23.226 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.394 47.218 23.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.658 47.503 23.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.370 47.796 21.927 1.00 0.00 H new ATOM 20 N GLN A 2 34.613 53.119 22.410 1.00 0.00 N ATOM 21 CA GLN A 2 35.958 53.557 22.723 1.00 0.00 C ATOM 22 C GLN A 2 36.574 52.771 23.882 1.00 0.00 C ATOM 23 O GLN A 2 35.919 52.555 24.899 1.00 0.00 O ATOM 24 CB GLN A 2 35.928 55.057 23.002 1.00 0.00 C ATOM 25 CG GLN A 2 37.313 55.696 23.034 1.00 0.00 C ATOM 26 CD GLN A 2 37.228 57.219 23.157 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.529 57.816 24.187 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.814 57.927 22.110 1.00 0.00 N ATOM 0 H GLN A 2 33.899 53.541 23.004 1.00 0.00 H new ATOM 0 HA GLN A 2 36.603 53.360 21.867 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.327 55.549 22.238 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.434 55.231 23.958 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.881 55.294 23.873 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.857 55.433 22.126 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.558 57.454 21.243 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.752 58.943 22.174 1.00 0.00 H new ATOM 37 N ILE A 3 37.843 52.399 23.749 1.00 0.00 N ATOM 38 CA ILE A 3 38.652 51.760 24.768 1.00 0.00 C ATOM 39 C ILE A 3 40.024 52.430 24.884 1.00 0.00 C ATOM 40 O ILE A 3 40.433 53.185 24.005 1.00 0.00 O ATOM 41 CB ILE A 3 38.776 50.258 24.527 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.440 49.918 23.196 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.412 49.585 24.654 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.726 48.435 22.983 1.00 0.00 C ATOM 0 H ILE A 3 38.357 52.545 22.880 1.00 0.00 H new ATOM 0 HA ILE A 3 38.142 51.889 25.723 1.00 0.00 H new ATOM 0 HB ILE A 3 39.437 49.866 25.300 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.800 50.270 22.387 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.378 50.468 23.123 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.517 48.514 24.479 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.016 49.752 25.655 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.728 50.007 23.918 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.198 48.291 22.011 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.394 48.077 23.767 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.791 47.875 23.019 1.00 0.00 H new ATOM 56 N PHE A 4 40.764 52.121 25.945 1.00 0.00 N ATOM 57 CA PHE A 4 42.103 52.622 26.182 1.00 0.00 C ATOM 58 C PHE A 4 43.116 51.476 26.205 1.00 0.00 C ATOM 59 O PHE A 4 42.812 50.381 26.672 1.00 0.00 O ATOM 60 CB PHE A 4 42.143 53.419 27.482 1.00 0.00 C ATOM 61 CG PHE A 4 40.997 54.383 27.679 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.775 55.410 26.755 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.129 54.235 28.768 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.681 56.271 26.904 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.048 55.110 28.934 1.00 0.00 C ATOM 66 CZ PHE A 4 38.816 56.121 27.996 1.00 0.00 C ATOM 0 H PHE A 4 40.434 51.497 26.681 1.00 0.00 H new ATOM 0 HA PHE A 4 42.377 53.288 25.364 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.157 52.720 28.318 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.078 53.978 27.518 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.451 55.539 25.923 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.294 53.443 29.483 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.504 57.050 26.178 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.394 55.004 29.787 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.972 56.785 28.113 1.00 0.00 H new ATOM 76 N VAL A 5 44.337 51.727 25.741 1.00 0.00 N ATOM 77 CA VAL A 5 45.441 50.794 25.847 1.00 0.00 C ATOM 78 C VAL A 5 46.655 51.503 26.451 1.00 0.00 C ATOM 79 O VAL A 5 47.108 52.516 25.922 1.00 0.00 O ATOM 80 CB VAL A 5 45.780 50.124 24.518 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.727 48.948 24.743 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.563 49.594 23.764 1.00 0.00 C ATOM 0 H VAL A 5 44.585 52.600 25.275 1.00 0.00 H new ATOM 0 HA VAL A 5 45.134 49.986 26.511 1.00 0.00 H new ATOM 0 HB VAL A 5 46.240 50.906 23.914 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.960 48.480 23.786 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.647 49.305 25.206 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.251 48.218 25.398 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.886 49.133 22.831 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.050 48.853 24.377 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.883 50.418 23.545 1.00 0.00 H new ATOM 92 N LYS A 6 47.181 50.963 27.546 1.00 0.00 N ATOM 93 CA LYS A 6 48.336 51.467 28.261 1.00 0.00 C ATOM 94 C LYS A 6 49.557 50.562 28.085 1.00 0.00 C ATOM 95 O LYS A 6 49.427 49.348 28.219 1.00 0.00 O ATOM 96 CB LYS A 6 47.993 51.628 29.740 1.00 0.00 C ATOM 97 CG LYS A 6 47.298 52.955 30.030 1.00 0.00 C ATOM 98 CD LYS A 6 47.124 53.175 31.530 1.00 0.00 C ATOM 99 CE LYS A 6 46.413 54.483 31.864 1.00 0.00 C ATOM 100 NZ LYS A 6 47.231 55.671 31.570 1.00 0.00 N ATOM 0 H LYS A 6 46.791 50.123 27.974 1.00 0.00 H new ATOM 0 HA LYS A 6 48.597 52.439 27.841 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.349 50.806 30.053 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.906 51.561 30.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.880 53.773 29.606 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.323 52.971 29.543 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.558 52.343 31.950 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.103 53.168 32.008 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.483 54.540 31.299 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.145 54.485 32.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.748 56.521 31.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.157 55.579 32.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.367 55.753 30.542 1.00 0.00 H new ATOM 114 N THR A 7 50.745 51.118 27.867 1.00 0.00 N ATOM 115 CA THR A 7 51.978 50.380 28.048 1.00 0.00 C ATOM 116 C THR A 7 52.361 50.339 29.529 1.00 0.00 C ATOM 117 O THR A 7 52.123 51.291 30.269 1.00 0.00 O ATOM 118 CB THR A 7 53.162 50.916 27.248 1.00 0.00 C ATOM 119 OG1 THR A 7 53.579 52.181 27.711 1.00 0.00 O ATOM 120 CG2 THR A 7 52.899 51.014 25.748 1.00 0.00 C ATOM 0 H THR A 7 50.874 52.083 27.563 1.00 0.00 H new ATOM 0 HA THR A 7 51.769 49.381 27.666 1.00 0.00 H new ATOM 0 HB THR A 7 53.950 50.179 27.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.554 52.248 27.645 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.786 51.403 25.248 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.664 50.025 25.354 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.058 51.684 25.569 1.00 0.00 H new ATOM 128 N LEU A 8 53.032 49.276 29.962 1.00 0.00 N ATOM 129 CA LEU A 8 53.606 49.180 31.289 1.00 0.00 C ATOM 130 C LEU A 8 54.783 50.140 31.472 1.00 0.00 C ATOM 131 O LEU A 8 55.112 50.497 32.601 1.00 0.00 O ATOM 132 CB LEU A 8 53.975 47.732 31.596 1.00 0.00 C ATOM 133 CG LEU A 8 52.832 46.732 31.442 1.00 0.00 C ATOM 134 CD1 LEU A 8 53.272 45.351 31.919 1.00 0.00 C ATOM 135 CD2 LEU A 8 51.574 47.100 32.224 1.00 0.00 C ATOM 0 H LEU A 8 53.192 48.448 29.388 1.00 0.00 H new ATOM 0 HA LEU A 8 52.855 49.492 32.015 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.791 47.433 30.939 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.352 47.677 32.617 1.00 0.00 H new ATOM 0 HG LEU A 8 52.588 46.742 30.380 1.00 0.00 H new ATOM 0 HD11 LEU A 8 52.448 44.647 31.804 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.122 45.015 31.325 1.00 0.00 H new ATOM 0 HD13 LEU A 8 53.561 45.404 32.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.810 46.340 32.062 1.00 0.00 H new ATOM 0 HD22 LEU A 8 51.810 47.157 33.287 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.203 48.066 31.883 1.00 0.00 H new ATOM 147 N THR A 9 55.362 50.649 30.389 1.00 0.00 N ATOM 148 CA THR A 9 56.344 51.716 30.373 1.00 0.00 C ATOM 149 C THR A 9 55.766 53.111 30.613 1.00 0.00 C ATOM 150 O THR A 9 56.523 54.045 30.870 1.00 0.00 O ATOM 151 CB THR A 9 57.127 51.707 29.063 1.00 0.00 C ATOM 152 OG1 THR A 9 56.250 51.889 27.975 1.00 0.00 O ATOM 153 CG2 THR A 9 57.872 50.399 28.815 1.00 0.00 C ATOM 0 H THR A 9 55.144 50.307 29.453 1.00 0.00 H new ATOM 0 HA THR A 9 57.005 51.508 31.214 1.00 0.00 H new ATOM 0 HB THR A 9 57.852 52.516 29.148 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.761 51.883 27.139 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.408 50.459 27.868 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.583 50.226 29.623 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.159 49.576 28.777 1.00 0.00 H new ATOM 161 N GLY A 10 54.446 53.277 30.592 1.00 0.00 N ATOM 162 CA GLY A 10 53.755 54.469 31.042 1.00 0.00 C ATOM 163 C GLY A 10 53.005 55.289 29.991 1.00 0.00 C ATOM 164 O GLY A 10 52.458 56.331 30.343 1.00 0.00 O ATOM 0 H GLY A 10 53.811 52.556 30.248 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.041 54.174 31.811 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.486 55.122 31.519 1.00 0.00 H new ATOM 168 N LYS A 11 52.950 54.862 28.733 1.00 0.00 N ATOM 169 CA LYS A 11 52.231 55.521 27.661 1.00 0.00 C ATOM 170 C LYS A 11 50.743 55.162 27.660 1.00 0.00 C ATOM 171 O LYS A 11 50.357 54.162 28.258 1.00 0.00 O ATOM 172 CB LYS A 11 52.920 55.201 26.338 1.00 0.00 C ATOM 173 CG LYS A 11 52.494 56.119 25.196 1.00 0.00 C ATOM 174 CD LYS A 11 53.283 55.878 23.912 1.00 0.00 C ATOM 175 CE LYS A 11 52.880 56.883 22.836 1.00 0.00 C ATOM 176 NZ LYS A 11 51.503 56.678 22.362 1.00 0.00 N ATOM 0 H LYS A 11 53.426 54.014 28.426 1.00 0.00 H new ATOM 0 HA LYS A 11 52.260 56.600 27.815 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.999 55.276 26.471 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.704 54.168 26.064 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.432 55.973 24.996 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.621 57.157 25.505 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.351 55.962 24.114 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.105 54.864 23.555 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.978 57.894 23.232 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.567 56.803 21.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.334 57.267 21.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.366 55.677 22.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.834 56.945 23.112 1.00 0.00 H new ATOM 190 N THR A 12 49.912 55.968 27.005 1.00 0.00 N ATOM 191 CA THR A 12 48.528 55.684 26.681 1.00 0.00 C ATOM 192 C THR A 12 48.260 55.876 25.188 1.00 0.00 C ATOM 193 O THR A 12 48.898 56.695 24.530 1.00 0.00 O ATOM 194 CB THR A 12 47.587 56.554 27.509 1.00 0.00 C ATOM 195 OG1 THR A 12 47.785 56.286 28.879 1.00 0.00 O ATOM 196 CG2 THR A 12 46.097 56.300 27.296 1.00 0.00 C ATOM 0 H THR A 12 50.208 56.885 26.670 1.00 0.00 H new ATOM 0 HA THR A 12 48.337 54.639 26.927 1.00 0.00 H new ATOM 0 HB THR A 12 47.827 57.569 27.192 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.860 57.131 29.370 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.519 56.971 27.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.843 56.481 26.252 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.864 55.266 27.552 1.00 0.00 H new ATOM 204 N ILE A 13 47.282 55.142 24.663 1.00 0.00 N ATOM 205 CA ILE A 13 46.567 55.395 23.428 1.00 0.00 C ATOM 206 C ILE A 13 45.070 55.132 23.607 1.00 0.00 C ATOM 207 O ILE A 13 44.667 54.340 24.455 1.00 0.00 O ATOM 208 CB ILE A 13 47.115 54.596 22.249 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.139 53.095 22.526 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.484 55.120 21.824 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.642 52.220 21.382 1.00 0.00 C ATOM 0 H ILE A 13 46.950 54.297 25.127 1.00 0.00 H new ATOM 0 HA ILE A 13 46.719 56.448 23.190 1.00 0.00 H new ATOM 0 HB ILE A 13 46.430 54.740 21.413 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.766 52.915 23.399 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.130 52.776 22.787 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.853 54.534 20.982 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.398 56.165 21.528 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.181 55.035 22.658 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.617 51.174 21.686 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.004 52.360 20.509 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.665 52.501 21.132 1.00 0.00 H new ATOM 223 N THR A 14 44.246 55.766 22.778 1.00 0.00 N ATOM 224 CA THR A 14 42.804 55.631 22.745 1.00 0.00 C ATOM 225 C THR A 14 42.382 54.977 21.428 1.00 0.00 C ATOM 226 O THR A 14 42.930 55.326 20.384 1.00 0.00 O ATOM 227 CB THR A 14 42.147 56.997 22.926 1.00 0.00 C ATOM 228 OG1 THR A 14 42.552 57.575 24.147 1.00 0.00 O ATOM 229 CG2 THR A 14 40.625 56.920 22.989 1.00 0.00 C ATOM 0 H THR A 14 44.591 56.421 22.076 1.00 0.00 H new ATOM 0 HA THR A 14 42.475 54.992 23.565 1.00 0.00 H new ATOM 0 HB THR A 14 42.455 57.584 22.061 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.126 58.451 24.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.215 57.922 23.118 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.244 56.489 22.063 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.327 56.295 23.830 1.00 0.00 H new ATOM 237 N LEU A 15 41.468 54.012 21.446 1.00 0.00 N ATOM 238 CA LEU A 15 41.224 53.114 20.334 1.00 0.00 C ATOM 239 C LEU A 15 39.727 52.871 20.134 1.00 0.00 C ATOM 240 O LEU A 15 38.988 52.731 21.107 1.00 0.00 O ATOM 241 CB LEU A 15 42.055 51.862 20.605 1.00 0.00 C ATOM 242 CG LEU A 15 42.448 51.010 19.401 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.702 50.205 19.733 1.00 0.00 C ATOM 244 CD2 LEU A 15 41.371 50.004 19.007 1.00 0.00 C ATOM 0 H LEU A 15 40.868 53.833 22.251 1.00 0.00 H new ATOM 0 HA LEU A 15 41.536 53.536 19.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.969 52.167 21.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.499 51.231 21.298 1.00 0.00 H new ATOM 0 HG LEU A 15 42.605 51.704 18.575 1.00 0.00 H new ATOM 0 HD11 LEU A 15 43.982 49.597 18.873 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.517 50.886 19.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.503 49.557 20.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 41.709 49.428 18.145 1.00 0.00 H new ATOM 0 HD22 LEU A 15 41.180 49.330 19.842 1.00 0.00 H new ATOM 0 HD23 LEU A 15 40.454 50.534 18.752 1.00 0.00 H new ATOM 256 N GLU A 16 39.262 52.842 18.889 1.00 0.00 N ATOM 257 CA GLU A 16 37.868 52.716 18.517 1.00 0.00 C ATOM 258 C GLU A 16 37.573 51.352 17.891 1.00 0.00 C ATOM 259 O GLU A 16 38.254 50.919 16.964 1.00 0.00 O ATOM 260 CB GLU A 16 37.493 53.881 17.604 1.00 0.00 C ATOM 261 CG GLU A 16 36.152 53.810 16.880 1.00 0.00 C ATOM 262 CD GLU A 16 34.912 53.797 17.778 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.962 54.268 18.934 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.848 53.328 17.324 1.00 0.00 O ATOM 0 H GLU A 16 39.879 52.909 18.080 1.00 0.00 H new ATOM 0 HA GLU A 16 37.245 52.766 19.410 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.504 54.793 18.201 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.275 53.983 16.852 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.079 54.662 16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.140 52.912 16.263 1.00 0.00 H new ATOM 271 N VAL A 17 36.556 50.668 18.409 1.00 0.00 N ATOM 272 CA VAL A 17 36.206 49.301 18.082 1.00 0.00 C ATOM 273 C VAL A 17 34.695 49.083 17.984 1.00 0.00 C ATOM 274 O VAL A 17 33.894 49.899 18.434 1.00 0.00 O ATOM 275 CB VAL A 17 36.804 48.339 19.104 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.330 48.359 19.114 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.325 48.610 20.528 1.00 0.00 C ATOM 0 H VAL A 17 35.928 51.077 19.100 1.00 0.00 H new ATOM 0 HA VAL A 17 36.626 49.099 17.097 1.00 0.00 H new ATOM 0 HB VAL A 17 36.453 47.359 18.782 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.698 47.655 19.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.704 48.074 18.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.679 49.362 19.358 1.00 0.00 H new ATOM 0 HG21 VAL A 17 36.785 47.894 21.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.607 49.621 20.820 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.241 48.509 20.573 1.00 0.00 H new ATOM 287 N GLU A 18 34.278 47.957 17.412 1.00 0.00 N ATOM 288 CA GLU A 18 33.038 47.303 17.776 1.00 0.00 C ATOM 289 C GLU A 18 33.312 46.268 18.869 1.00 0.00 C ATOM 290 O GLU A 18 34.430 45.768 18.958 1.00 0.00 O ATOM 291 CB GLU A 18 32.415 46.594 16.577 1.00 0.00 C ATOM 292 CG GLU A 18 32.109 47.481 15.374 1.00 0.00 C ATOM 293 CD GLU A 18 31.097 46.808 14.443 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.491 46.166 13.446 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.885 46.942 14.716 1.00 0.00 O ATOM 0 H GLU A 18 34.798 47.475 16.679 1.00 0.00 H new ATOM 0 HA GLU A 18 32.345 48.065 18.133 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.088 45.799 16.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.489 46.118 16.900 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.715 48.439 15.714 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.029 47.690 14.828 1.00 0.00 H new ATOM 302 N PRO A 19 32.315 45.813 19.623 1.00 0.00 N ATOM 303 CA PRO A 19 32.433 44.623 20.441 1.00 0.00 C ATOM 304 C PRO A 19 32.865 43.372 19.673 1.00 0.00 C ATOM 305 O PRO A 19 33.284 42.389 20.279 1.00 0.00 O ATOM 306 CB PRO A 19 31.058 44.424 21.073 1.00 0.00 C ATOM 307 CG PRO A 19 30.460 45.828 21.092 1.00 0.00 C ATOM 308 CD PRO A 19 31.016 46.430 19.804 1.00 0.00 C ATOM 0 HA PRO A 19 33.223 44.766 21.178 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.446 43.736 20.490 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.136 44.009 22.078 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.370 45.807 21.095 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.770 46.391 21.972 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.361 46.223 18.958 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.103 47.514 19.882 1.00 0.00 H new ATOM 316 N SER A 20 32.748 43.384 18.347 1.00 0.00 N ATOM 317 CA SER A 20 33.132 42.332 17.429 1.00 0.00 C ATOM 318 C SER A 20 34.596 42.362 16.983 1.00 0.00 C ATOM 319 O SER A 20 35.011 41.413 16.322 1.00 0.00 O ATOM 320 CB SER A 20 32.247 42.402 16.187 1.00 0.00 C ATOM 321 OG SER A 20 30.885 42.417 16.547 1.00 0.00 O ATOM 0 H SER A 20 32.354 44.188 17.859 1.00 0.00 H new ATOM 0 HA SER A 20 33.001 41.402 17.982 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.487 43.297 15.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.449 41.547 15.542 1.00 0.00 H new ATOM 0 HG SER A 20 30.333 42.464 15.738 1.00 0.00 H new ATOM 327 N ASP A 21 35.385 43.383 17.308 1.00 0.00 N ATOM 328 CA ASP A 21 36.774 43.452 16.902 1.00 0.00 C ATOM 329 C ASP A 21 37.553 42.247 17.434 1.00 0.00 C ATOM 330 O ASP A 21 37.458 41.913 18.613 1.00 0.00 O ATOM 331 CB ASP A 21 37.437 44.736 17.391 1.00 0.00 C ATOM 332 CG ASP A 21 37.329 45.916 16.424 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.377 46.463 16.018 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.204 46.319 16.059 1.00 0.00 O ATOM 0 H ASP A 21 35.074 44.182 17.860 1.00 0.00 H new ATOM 0 HA ASP A 21 36.791 43.444 15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.989 45.021 18.343 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.491 44.535 17.582 1.00 0.00 H new ATOM 339 N THR A 22 38.344 41.604 16.580 1.00 0.00 N ATOM 340 CA THR A 22 39.284 40.584 17.001 1.00 0.00 C ATOM 341 C THR A 22 40.503 41.194 17.694 1.00 0.00 C ATOM 342 O THR A 22 40.876 42.334 17.426 1.00 0.00 O ATOM 343 CB THR A 22 39.753 39.672 15.872 1.00 0.00 C ATOM 344 OG1 THR A 22 40.306 40.423 14.813 1.00 0.00 O ATOM 345 CG2 THR A 22 38.640 38.791 15.313 1.00 0.00 C ATOM 0 H THR A 22 38.347 41.780 15.575 1.00 0.00 H new ATOM 0 HA THR A 22 38.727 39.968 17.706 1.00 0.00 H new ATOM 0 HB THR A 22 40.510 39.024 16.314 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.601 39.817 14.102 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.038 38.166 14.513 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.245 38.157 16.107 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.841 39.420 14.919 1.00 0.00 H new ATOM 353 N ILE A 23 41.190 40.414 18.524 1.00 0.00 N ATOM 354 CA ILE A 23 42.473 40.786 19.085 1.00 0.00 C ATOM 355 C ILE A 23 43.508 41.025 17.985 1.00 0.00 C ATOM 356 O ILE A 23 44.275 41.980 18.089 1.00 0.00 O ATOM 357 CB ILE A 23 42.909 39.747 20.114 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.959 39.635 21.302 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.338 39.955 20.610 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.707 40.911 22.100 1.00 0.00 C ATOM 0 H ILE A 23 40.862 39.496 18.826 1.00 0.00 H new ATOM 0 HA ILE A 23 42.379 41.736 19.611 1.00 0.00 H new ATOM 0 HB ILE A 23 42.874 38.804 19.569 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.000 39.267 20.937 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.353 38.880 21.983 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.586 39.184 21.339 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.028 39.894 19.768 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.422 40.936 21.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.016 40.699 22.916 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.649 41.277 22.508 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.276 41.669 21.447 1.00 0.00 H new ATOM 372 N GLU A 24 43.481 40.275 16.886 1.00 0.00 N ATOM 373 CA GLU A 24 44.263 40.566 15.702 1.00 0.00 C ATOM 374 C GLU A 24 43.996 41.969 15.154 1.00 0.00 C ATOM 375 O GLU A 24 44.945 42.702 14.890 1.00 0.00 O ATOM 376 CB GLU A 24 43.995 39.499 14.645 1.00 0.00 C ATOM 377 CG GLU A 24 44.818 39.694 13.375 1.00 0.00 C ATOM 378 CD GLU A 24 44.574 38.564 12.372 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.752 38.735 11.446 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.202 37.492 12.497 1.00 0.00 O ATOM 0 H GLU A 24 42.905 39.438 16.798 1.00 0.00 H new ATOM 0 HA GLU A 24 45.317 40.546 15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.213 38.517 15.065 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.936 39.508 14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.563 40.650 12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.877 39.735 13.629 1.00 0.00 H new ATOM 387 N ASN A 25 42.732 42.367 15.033 1.00 0.00 N ATOM 388 CA ASN A 25 42.352 43.676 14.540 1.00 0.00 C ATOM 389 C ASN A 25 42.734 44.809 15.495 1.00 0.00 C ATOM 390 O ASN A 25 43.196 45.853 15.041 1.00 0.00 O ATOM 391 CB ASN A 25 40.862 43.664 14.209 1.00 0.00 C ATOM 392 CG ASN A 25 40.464 44.773 13.234 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.753 44.698 12.042 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.757 45.816 13.663 1.00 0.00 N ATOM 0 H ASN A 25 41.937 41.777 15.279 1.00 0.00 H new ATOM 0 HA ASN A 25 42.917 43.883 13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.597 42.697 13.781 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.289 43.773 15.130 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.463 46.538 13.005 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.509 45.893 14.649 1.00 0.00 H new ATOM 401 N VAL A 26 42.631 44.608 16.806 1.00 0.00 N ATOM 402 CA VAL A 26 43.095 45.566 17.790 1.00 0.00 C ATOM 403 C VAL A 26 44.617 45.715 17.733 1.00 0.00 C ATOM 404 O VAL A 26 45.113 46.838 17.681 1.00 0.00 O ATOM 405 CB VAL A 26 42.611 45.222 19.195 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.135 46.199 20.243 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.088 45.273 19.285 1.00 0.00 C ATOM 0 H VAL A 26 42.219 43.768 17.212 1.00 0.00 H new ATOM 0 HA VAL A 26 42.658 46.532 17.539 1.00 0.00 H new ATOM 0 HB VAL A 26 42.987 44.218 19.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.763 45.912 21.226 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.225 46.178 20.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.792 47.206 20.005 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.775 45.023 20.299 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.742 46.276 19.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.658 44.556 18.585 1.00 0.00 H new ATOM 417 N LYS A 27 45.368 44.622 17.639 1.00 0.00 N ATOM 418 CA LYS A 27 46.806 44.650 17.468 1.00 0.00 C ATOM 419 C LYS A 27 47.226 45.305 16.151 1.00 0.00 C ATOM 420 O LYS A 27 48.229 46.014 16.112 1.00 0.00 O ATOM 421 CB LYS A 27 47.373 43.239 17.591 1.00 0.00 C ATOM 422 CG LYS A 27 47.291 42.683 19.011 1.00 0.00 C ATOM 423 CD LYS A 27 47.649 41.202 19.092 1.00 0.00 C ATOM 424 CE LYS A 27 49.105 40.956 18.706 1.00 0.00 C ATOM 425 NZ LYS A 27 49.446 39.526 18.638 1.00 0.00 N ATOM 0 H LYS A 27 44.982 43.679 17.681 1.00 0.00 H new ATOM 0 HA LYS A 27 47.222 45.269 18.263 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.832 42.576 16.916 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.414 43.243 17.268 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.962 43.249 19.657 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.281 42.829 19.395 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.474 40.839 20.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.995 40.632 18.432 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.302 41.418 17.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.755 41.445 19.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.420 39.418 18.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.368 39.105 19.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.791 39.043 17.990 1.00 0.00 H new ATOM 439 N ALA A 28 46.433 45.164 15.093 1.00 0.00 N ATOM 440 CA ALA A 28 46.657 45.846 13.834 1.00 0.00 C ATOM 441 C ALA A 28 46.446 47.358 13.937 1.00 0.00 C ATOM 442 O ALA A 28 47.242 48.119 13.391 1.00 0.00 O ATOM 443 CB ALA A 28 45.776 45.216 12.759 1.00 0.00 C ATOM 0 H ALA A 28 45.608 44.564 15.092 1.00 0.00 H new ATOM 0 HA ALA A 28 47.703 45.720 13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.940 45.725 11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.029 44.161 12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.729 45.311 13.045 1.00 0.00 H new ATOM 449 N LYS A 29 45.455 47.818 14.697 1.00 0.00 N ATOM 450 CA LYS A 29 45.264 49.220 15.007 1.00 0.00 C ATOM 451 C LYS A 29 46.402 49.785 15.860 1.00 0.00 C ATOM 452 O LYS A 29 46.832 50.913 15.634 1.00 0.00 O ATOM 453 CB LYS A 29 43.908 49.423 15.676 1.00 0.00 C ATOM 454 CG LYS A 29 42.744 49.269 14.702 1.00 0.00 C ATOM 455 CD LYS A 29 41.395 49.268 15.415 1.00 0.00 C ATOM 456 CE LYS A 29 40.269 49.173 14.390 1.00 0.00 C ATOM 457 NZ LYS A 29 38.958 49.013 15.037 1.00 0.00 N ATOM 0 H LYS A 29 44.753 47.210 15.119 1.00 0.00 H new ATOM 0 HA LYS A 29 45.280 49.778 14.071 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.796 48.703 16.487 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.873 50.416 16.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.769 50.082 13.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.859 48.340 14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.340 48.428 16.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.285 50.177 16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.263 50.071 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.452 48.329 13.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.204 49.155 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.883 48.056 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.858 49.715 15.798 1.00 0.00 H new ATOM 471 N ILE A 30 46.960 48.992 16.771 1.00 0.00 N ATOM 472 CA ILE A 30 48.145 49.343 17.529 1.00 0.00 C ATOM 473 C ILE A 30 49.372 49.434 16.620 1.00 0.00 C ATOM 474 O ILE A 30 50.171 50.351 16.800 1.00 0.00 O ATOM 475 CB ILE A 30 48.335 48.396 18.710 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.189 48.558 19.704 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.669 48.619 19.417 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.121 47.473 20.776 1.00 0.00 C ATOM 0 H ILE A 30 46.589 48.071 17.003 1.00 0.00 H new ATOM 0 HA ILE A 30 48.010 50.338 17.954 1.00 0.00 H new ATOM 0 HB ILE A 30 48.337 47.381 18.314 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.283 49.528 20.192 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.247 48.568 19.155 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.760 47.923 20.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.485 48.452 18.714 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.716 49.641 19.792 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.277 47.668 21.438 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.993 46.500 20.301 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.044 47.475 21.355 1.00 0.00 H new ATOM 490 N GLN A 31 49.523 48.585 15.607 1.00 0.00 N ATOM 491 CA GLN A 31 50.572 48.747 14.621 1.00 0.00 C ATOM 492 C GLN A 31 50.404 50.045 13.828 1.00 0.00 C ATOM 493 O GLN A 31 51.392 50.752 13.643 1.00 0.00 O ATOM 494 CB GLN A 31 50.694 47.537 13.698 1.00 0.00 C ATOM 495 CG GLN A 31 51.923 47.677 12.804 1.00 0.00 C ATOM 496 CD GLN A 31 52.215 46.487 11.888 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.400 45.601 11.645 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.405 46.439 11.295 1.00 0.00 N ATOM 0 H GLN A 31 48.924 47.774 15.452 1.00 0.00 H new ATOM 0 HA GLN A 31 51.510 48.817 15.171 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.768 46.625 14.290 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.798 47.447 13.085 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.801 48.566 12.186 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.793 47.846 13.438 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.098 47.164 11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.625 45.677 10.653 1.00 0.00 H new ATOM 507 N ASP A 32 49.196 50.407 13.407 1.00 0.00 N ATOM 508 CA ASP A 32 48.947 51.658 12.720 1.00 0.00 C ATOM 509 C ASP A 32 49.335 52.880 13.555 1.00 0.00 C ATOM 510 O ASP A 32 50.037 53.758 13.057 1.00 0.00 O ATOM 511 CB ASP A 32 47.487 51.781 12.292 1.00 0.00 C ATOM 512 CG ASP A 32 47.038 50.862 11.154 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.871 50.396 10.347 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.814 50.634 11.048 1.00 0.00 O ATOM 0 H ASP A 32 48.362 49.834 13.536 1.00 0.00 H new ATOM 0 HA ASP A 32 49.583 51.639 11.835 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.858 51.584 13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.303 52.813 11.992 1.00 0.00 H new ATOM 519 N LYS A 33 48.924 52.929 14.818 1.00 0.00 N ATOM 520 CA LYS A 33 49.236 54.005 15.737 1.00 0.00 C ATOM 521 C LYS A 33 50.718 54.071 16.111 1.00 0.00 C ATOM 522 O LYS A 33 51.348 55.115 15.951 1.00 0.00 O ATOM 523 CB LYS A 33 48.383 53.868 16.995 1.00 0.00 C ATOM 524 CG LYS A 33 46.922 54.267 16.812 1.00 0.00 C ATOM 525 CD LYS A 33 46.152 54.015 18.105 1.00 0.00 C ATOM 526 CE LYS A 33 44.674 54.380 17.989 1.00 0.00 C ATOM 527 NZ LYS A 33 44.424 55.827 18.091 1.00 0.00 N ATOM 0 H LYS A 33 48.349 52.198 15.237 1.00 0.00 H new ATOM 0 HA LYS A 33 49.006 54.938 15.223 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.425 52.834 17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.819 54.482 17.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.855 55.320 16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.479 53.695 15.997 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.242 52.964 18.378 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.603 54.594 18.911 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.291 54.018 17.035 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.117 53.866 18.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.842 56.020 18.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.330 56.331 18.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.923 56.154 17.240 1.00 0.00 H new ATOM 541 N GLU A 34 51.283 52.969 16.594 1.00 0.00 N ATOM 542 CA GLU A 34 52.513 52.943 17.359 1.00 0.00 C ATOM 543 C GLU A 34 53.700 52.320 16.621 1.00 0.00 C ATOM 544 O GLU A 34 54.833 52.410 17.087 1.00 0.00 O ATOM 545 CB GLU A 34 52.277 52.185 18.663 1.00 0.00 C ATOM 546 CG GLU A 34 51.113 52.688 19.512 1.00 0.00 C ATOM 547 CD GLU A 34 51.361 54.085 20.084 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.128 55.101 19.394 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.793 54.172 21.254 1.00 0.00 O ATOM 0 H GLU A 34 50.880 52.042 16.456 1.00 0.00 H new ATOM 0 HA GLU A 34 52.781 53.984 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.105 51.135 18.427 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.187 52.232 19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.207 52.703 18.906 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.938 51.990 20.331 1.00 0.00 H new ATOM 556 N GLY A 35 53.461 51.664 15.488 1.00 0.00 N ATOM 557 CA GLY A 35 54.486 51.038 14.678 1.00 0.00 C ATOM 558 C GLY A 35 55.054 49.723 15.216 1.00 0.00 C ATOM 559 O GLY A 35 56.060 49.246 14.693 1.00 0.00 O ATOM 0 H GLY A 35 52.523 51.554 15.104 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.075 50.854 13.685 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.308 51.744 14.558 1.00 0.00 H new ATOM 563 N ILE A 36 54.446 49.127 16.237 1.00 0.00 N ATOM 564 CA ILE A 36 54.901 47.885 16.830 1.00 0.00 C ATOM 565 C ILE A 36 54.329 46.720 16.021 1.00 0.00 C ATOM 566 O ILE A 36 53.105 46.622 15.954 1.00 0.00 O ATOM 567 CB ILE A 36 54.505 47.785 18.301 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.925 49.000 19.123 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.116 46.525 18.906 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.267 49.082 20.497 1.00 0.00 C ATOM 0 H ILE A 36 53.608 49.505 16.680 1.00 0.00 H new ATOM 0 HA ILE A 36 55.990 47.851 16.801 1.00 0.00 H new ATOM 0 HB ILE A 36 53.416 47.743 18.334 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.007 48.982 19.251 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.686 49.904 18.563 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.834 46.452 19.956 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.749 45.649 18.370 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.202 46.572 18.824 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.619 49.973 21.016 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.185 49.134 20.380 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.527 48.197 21.078 1.00 0.00 H new ATOM 582 N PRO A 37 55.117 45.826 15.431 1.00 0.00 N ATOM 583 CA PRO A 37 54.583 44.709 14.677 1.00 0.00 C ATOM 584 C PRO A 37 53.790 43.745 15.561 1.00 0.00 C ATOM 585 O PRO A 37 54.229 43.448 16.669 1.00 0.00 O ATOM 586 CB PRO A 37 55.772 44.033 14.000 1.00 0.00 C ATOM 587 CG PRO A 37 56.848 45.115 13.987 1.00 0.00 C ATOM 588 CD PRO A 37 56.557 45.869 15.281 1.00 0.00 C ATOM 0 HA PRO A 37 53.866 45.054 13.931 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.098 43.151 14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.524 43.704 12.991 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.852 44.691 13.979 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.767 45.760 13.112 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.055 45.401 16.130 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.917 46.897 15.227 1.00 0.00 H new ATOM 596 N PRO A 38 52.634 43.244 15.135 1.00 0.00 N ATOM 597 CA PRO A 38 51.724 42.498 15.981 1.00 0.00 C ATOM 598 C PRO A 38 52.272 41.180 16.532 1.00 0.00 C ATOM 599 O PRO A 38 51.872 40.785 17.624 1.00 0.00 O ATOM 600 CB PRO A 38 50.464 42.283 15.145 1.00 0.00 C ATOM 601 CG PRO A 38 50.958 42.376 13.704 1.00 0.00 C ATOM 602 CD PRO A 38 52.031 43.453 13.833 1.00 0.00 C ATOM 0 HA PRO A 38 51.534 43.072 16.888 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.010 41.314 15.350 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.709 43.040 15.358 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.364 41.430 13.345 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.165 42.664 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.772 43.366 13.039 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.598 44.450 13.757 1.00 0.00 H new ATOM 610 N ASP A 39 53.232 40.536 15.874 1.00 0.00 N ATOM 611 CA ASP A 39 53.899 39.360 16.396 1.00 0.00 C ATOM 612 C ASP A 39 54.757 39.662 17.626 1.00 0.00 C ATOM 613 O ASP A 39 55.048 38.768 18.418 1.00 0.00 O ATOM 614 CB ASP A 39 54.746 38.711 15.307 1.00 0.00 C ATOM 615 CG ASP A 39 53.940 38.275 14.081 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.397 38.524 12.945 1.00 0.00 O ATOM 617 OD2 ASP A 39 52.861 37.663 14.236 1.00 0.00 O ATOM 0 H ASP A 39 53.568 40.823 14.955 1.00 0.00 H new ATOM 0 HA ASP A 39 53.120 38.668 16.717 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.518 39.413 14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.255 37.842 15.724 1.00 0.00 H new ATOM 622 N GLN A 40 55.130 40.924 17.819 1.00 0.00 N ATOM 623 CA GLN A 40 55.914 41.447 18.920 1.00 0.00 C ATOM 624 C GLN A 40 55.058 42.074 20.021 1.00 0.00 C ATOM 625 O GLN A 40 55.583 42.410 21.081 1.00 0.00 O ATOM 626 CB GLN A 40 56.919 42.467 18.394 1.00 0.00 C ATOM 627 CG GLN A 40 57.734 42.027 17.181 1.00 0.00 C ATOM 628 CD GLN A 40 58.765 43.069 16.746 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.004 44.074 17.413 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.437 42.878 15.614 1.00 0.00 N ATOM 0 H GLN A 40 54.870 41.657 17.158 1.00 0.00 H new ATOM 0 HA GLN A 40 56.434 40.603 19.372 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.382 43.380 18.136 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.608 42.720 19.200 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.245 41.093 17.413 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.058 41.823 16.350 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.254 42.051 15.046 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.135 43.559 15.314 1.00 0.00 H new ATOM 639 N GLN A 41 53.754 42.223 19.805 1.00 0.00 N ATOM 640 CA GLN A 41 52.801 42.720 20.775 1.00 0.00 C ATOM 641 C GLN A 41 52.177 41.582 21.585 1.00 0.00 C ATOM 642 O GLN A 41 51.944 40.504 21.043 1.00 0.00 O ATOM 643 CB GLN A 41 51.663 43.465 20.085 1.00 0.00 C ATOM 644 CG GLN A 41 51.998 44.729 19.299 1.00 0.00 C ATOM 645 CD GLN A 41 50.739 45.276 18.622 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.633 45.184 19.150 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.817 45.831 17.416 1.00 0.00 N ATOM 0 H GLN A 41 53.322 41.989 18.911 1.00 0.00 H new ATOM 0 HA GLN A 41 53.354 43.387 21.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.175 42.769 19.403 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.930 43.731 20.847 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.417 45.481 19.967 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.758 44.510 18.549 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.722 45.921 16.953 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.972 46.167 16.954 1.00 0.00 H new ATOM 656 N ARG A 42 51.790 41.847 22.829 1.00 0.00 N ATOM 657 CA ARG A 42 50.855 41.061 23.608 1.00 0.00 C ATOM 658 C ARG A 42 49.866 41.966 24.345 1.00 0.00 C ATOM 659 O ARG A 42 50.267 43.008 24.859 1.00 0.00 O ATOM 660 CB ARG A 42 51.584 40.176 24.614 1.00 0.00 C ATOM 661 CG ARG A 42 52.528 39.137 24.014 1.00 0.00 C ATOM 662 CD ARG A 42 51.809 38.092 23.166 1.00 0.00 C ATOM 663 NE ARG A 42 52.752 37.079 22.691 1.00 0.00 N ATOM 664 CZ ARG A 42 53.447 37.055 21.547 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.383 38.039 20.639 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.255 36.008 21.337 1.00 0.00 N ATOM 0 H ARG A 42 52.140 42.657 23.341 1.00 0.00 H new ATOM 0 HA ARG A 42 50.307 40.424 22.914 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.156 40.815 25.286 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.841 39.659 25.221 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.273 39.644 23.401 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.065 38.636 24.819 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.022 37.618 23.753 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.326 38.575 22.316 1.00 0.00 H new ATOM 0 HE ARG A 42 52.899 36.285 23.315 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.786 38.849 20.806 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.931 37.978 19.781 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.323 35.268 22.036 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.802 35.950 20.478 1.00 0.00 H new ATOM 680 N LEU A 43 48.600 41.566 24.418 1.00 0.00 N ATOM 681 CA LEU A 43 47.553 42.285 25.116 1.00 0.00 C ATOM 682 C LEU A 43 47.044 41.525 26.343 1.00 0.00 C ATOM 683 O LEU A 43 46.861 40.310 26.305 1.00 0.00 O ATOM 684 CB LEU A 43 46.413 42.628 24.160 1.00 0.00 C ATOM 685 CG LEU A 43 46.722 43.743 23.165 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.557 43.899 22.192 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.929 45.092 23.846 1.00 0.00 C ATOM 0 H LEU A 43 48.270 40.707 23.978 1.00 0.00 H new ATOM 0 HA LEU A 43 47.985 43.215 25.486 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.142 41.730 23.605 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.541 42.916 24.747 1.00 0.00 H new ATOM 0 HG LEU A 43 47.642 43.459 22.654 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.780 44.696 21.482 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.406 42.964 21.652 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.652 44.149 22.745 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.146 45.850 23.093 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.025 45.368 24.389 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.764 45.023 24.543 1.00 0.00 H new ATOM 699 N ILE A 44 46.802 42.262 27.424 1.00 0.00 N ATOM 700 CA ILE A 44 46.364 41.783 28.719 1.00 0.00 C ATOM 701 C ILE A 44 45.119 42.557 29.155 1.00 0.00 C ATOM 702 O ILE A 44 45.055 43.776 29.015 1.00 0.00 O ATOM 703 CB ILE A 44 47.504 41.894 29.727 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.651 40.954 29.367 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.050 41.634 31.162 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.964 41.231 30.093 1.00 0.00 C ATOM 0 H ILE A 44 46.916 43.276 27.411 1.00 0.00 H new ATOM 0 HA ILE A 44 46.091 40.729 28.659 1.00 0.00 H new ATOM 0 HB ILE A 44 47.855 42.925 29.675 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.343 39.931 29.582 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.827 41.015 28.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.902 41.726 31.836 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.287 42.362 31.440 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.636 40.628 31.236 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.717 40.512 29.771 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.303 42.240 29.859 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.812 41.139 31.168 1.00 0.00 H new ATOM 718 N PHE A 45 44.136 41.855 29.714 1.00 0.00 N ATOM 719 CA PHE A 45 42.968 42.447 30.336 1.00 0.00 C ATOM 720 C PHE A 45 42.469 41.613 31.517 1.00 0.00 C ATOM 721 O PHE A 45 42.401 40.389 31.437 1.00 0.00 O ATOM 722 CB PHE A 45 41.867 42.631 29.297 1.00 0.00 C ATOM 723 CG PHE A 45 40.669 43.384 29.825 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.751 44.770 30.004 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.504 42.700 30.193 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.677 45.473 30.563 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.420 43.409 30.725 1.00 0.00 C ATOM 728 CZ PHE A 45 38.505 44.793 30.914 1.00 0.00 C ATOM 0 H PHE A 45 44.135 40.835 29.745 1.00 0.00 H new ATOM 0 HA PHE A 45 43.252 43.422 30.732 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.273 43.164 28.438 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.545 41.652 28.942 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.646 45.299 29.710 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.442 41.629 30.067 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.753 46.538 30.723 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.514 42.885 30.991 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.668 45.335 31.330 1.00 0.00 H new ATOM 738 N ALA A 46 42.101 42.284 32.605 1.00 0.00 N ATOM 739 CA ALA A 46 41.622 41.685 33.835 1.00 0.00 C ATOM 740 C ALA A 46 42.473 40.510 34.319 1.00 0.00 C ATOM 741 O ALA A 46 41.987 39.410 34.570 1.00 0.00 O ATOM 742 CB ALA A 46 40.129 41.402 33.702 1.00 0.00 C ATOM 0 H ALA A 46 42.132 43.303 32.650 1.00 0.00 H new ATOM 0 HA ALA A 46 41.743 42.397 34.651 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.761 40.951 34.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.597 42.335 33.517 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.961 40.717 32.871 1.00 0.00 H new ATOM 748 N GLY A 47 43.779 40.746 34.419 1.00 0.00 N ATOM 749 CA GLY A 47 44.781 39.833 34.929 1.00 0.00 C ATOM 750 C GLY A 47 45.231 38.713 33.990 1.00 0.00 C ATOM 751 O GLY A 47 46.046 37.896 34.414 1.00 0.00 O ATOM 0 H GLY A 47 44.183 41.636 34.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.659 40.414 35.211 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.394 39.378 35.841 1.00 0.00 H new ATOM 755 N LYS A 48 44.735 38.650 32.758 1.00 0.00 N ATOM 756 CA LYS A 48 44.862 37.523 31.855 1.00 0.00 C ATOM 757 C LYS A 48 45.288 37.967 30.454 1.00 0.00 C ATOM 758 O LYS A 48 44.889 39.042 30.013 1.00 0.00 O ATOM 759 CB LYS A 48 43.530 36.780 31.876 1.00 0.00 C ATOM 760 CG LYS A 48 43.619 35.301 31.513 1.00 0.00 C ATOM 761 CD LYS A 48 42.388 34.531 31.981 1.00 0.00 C ATOM 762 CE LYS A 48 42.435 34.288 33.487 1.00 0.00 C ATOM 763 NZ LYS A 48 41.200 33.667 33.992 1.00 0.00 N ATOM 0 H LYS A 48 44.210 39.422 32.348 1.00 0.00 H new ATOM 0 HA LYS A 48 45.655 36.849 32.179 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.095 36.870 32.871 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.845 37.270 31.183 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.725 35.197 30.433 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.512 34.869 31.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.487 35.089 31.727 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.330 33.577 31.457 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.284 33.647 33.723 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.599 35.235 34.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.279 33.522 35.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.391 34.290 33.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.055 32.750 33.523 1.00 0.00 H new ATOM 777 N GLN A 49 46.097 37.173 29.760 1.00 0.00 N ATOM 778 CA GLN A 49 46.607 37.500 28.443 1.00 0.00 C ATOM 779 C GLN A 49 45.660 37.020 27.341 1.00 0.00 C ATOM 780 O GLN A 49 45.045 35.963 27.460 1.00 0.00 O ATOM 781 CB GLN A 49 48.038 36.990 28.293 1.00 0.00 C ATOM 782 CG GLN A 49 48.815 37.739 27.213 1.00 0.00 C ATOM 783 CD GLN A 49 50.303 37.383 27.216 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.074 37.804 28.075 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.770 36.601 26.248 1.00 0.00 N ATOM 0 H GLN A 49 46.419 36.270 30.107 1.00 0.00 H new ATOM 0 HA GLN A 49 46.648 38.583 28.331 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.558 37.090 29.246 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.018 35.927 28.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.390 37.507 26.236 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.700 38.812 27.364 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.139 36.246 25.530 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.760 36.356 26.223 1.00 0.00 H new ATOM 794 N LEU A 50 45.519 37.809 26.280 1.00 0.00 N ATOM 795 CA LEU A 50 44.515 37.649 25.247 1.00 0.00 C ATOM 796 C LEU A 50 45.082 37.040 23.962 1.00 0.00 C ATOM 797 O LEU A 50 46.276 37.143 23.689 1.00 0.00 O ATOM 798 CB LEU A 50 43.833 38.990 24.989 1.00 0.00 C ATOM 799 CG LEU A 50 43.360 39.761 26.217 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.630 41.024 25.769 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.428 38.964 27.124 1.00 0.00 C ATOM 0 H LEU A 50 46.130 38.609 26.115 1.00 0.00 H new ATOM 0 HA LEU A 50 43.772 36.936 25.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.525 39.623 24.434 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.972 38.816 24.343 1.00 0.00 H new ATOM 0 HG LEU A 50 44.255 39.991 26.796 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.290 41.578 26.644 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.307 41.648 25.185 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.771 40.750 25.157 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.135 39.579 27.975 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.539 38.671 26.565 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.943 38.072 27.481 1.00 0.00 H new ATOM 813 N GLU A 51 44.223 36.420 23.158 1.00 0.00 N ATOM 814 CA GLU A 51 44.595 35.638 21.995 1.00 0.00 C ATOM 815 C GLU A 51 43.999 36.160 20.687 1.00 0.00 C ATOM 816 O GLU A 51 42.818 36.493 20.610 1.00 0.00 O ATOM 817 CB GLU A 51 44.193 34.180 22.198 1.00 0.00 C ATOM 818 CG GLU A 51 44.928 33.518 23.360 1.00 0.00 C ATOM 819 CD GLU A 51 44.667 32.010 23.360 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.306 31.302 22.551 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.851 31.529 24.175 1.00 0.00 O ATOM 0 H GLU A 51 43.215 36.453 23.308 1.00 0.00 H new ATOM 0 HA GLU A 51 45.677 35.727 21.900 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.119 34.126 22.376 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.393 33.622 21.283 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.998 33.709 23.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.597 33.952 24.304 1.00 0.00 H new ATOM 828 N ASP A 52 44.815 36.175 19.637 1.00 0.00 N ATOM 829 CA ASP A 52 44.568 36.797 18.352 1.00 0.00 C ATOM 830 C ASP A 52 43.267 36.380 17.663 1.00 0.00 C ATOM 831 O ASP A 52 42.649 37.198 16.985 1.00 0.00 O ATOM 832 CB ASP A 52 45.743 36.502 17.425 1.00 0.00 C ATOM 833 CG ASP A 52 47.017 37.218 17.880 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.305 38.325 17.378 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.747 36.682 18.742 1.00 0.00 O ATOM 0 H ASP A 52 45.727 35.720 19.670 1.00 0.00 H new ATOM 0 HA ASP A 52 44.460 37.862 18.556 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.921 35.427 17.394 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.493 36.813 16.411 1.00 0.00 H new ATOM 840 N GLY A 53 42.835 35.134 17.839 1.00 0.00 N ATOM 841 CA GLY A 53 41.661 34.569 17.205 1.00 0.00 C ATOM 842 C GLY A 53 40.321 34.963 17.830 1.00 0.00 C ATOM 843 O GLY A 53 39.286 34.705 17.220 1.00 0.00 O ATOM 0 H GLY A 53 43.314 34.472 18.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.656 34.869 16.157 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.746 33.483 17.225 1.00 0.00 H new ATOM 847 N ARG A 54 40.320 35.550 19.023 1.00 0.00 N ATOM 848 CA ARG A 54 39.140 35.887 19.794 1.00 0.00 C ATOM 849 C ARG A 54 38.697 37.336 19.579 1.00 0.00 C ATOM 850 O ARG A 54 39.477 38.158 19.101 1.00 0.00 O ATOM 851 CB ARG A 54 39.407 35.620 21.272 1.00 0.00 C ATOM 852 CG ARG A 54 39.866 34.205 21.616 1.00 0.00 C ATOM 853 CD ARG A 54 38.911 33.116 21.136 1.00 0.00 C ATOM 854 NE ARG A 54 39.386 31.805 21.581 1.00 0.00 N ATOM 855 CZ ARG A 54 38.643 30.787 22.035 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.304 30.775 21.981 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.238 29.720 22.585 1.00 0.00 N ATOM 0 H ARG A 54 41.185 35.814 19.496 1.00 0.00 H new ATOM 0 HA ARG A 54 38.321 35.256 19.447 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.165 36.323 21.618 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.496 35.833 21.831 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.848 34.034 21.176 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.983 34.123 22.697 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.910 33.301 21.525 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.839 33.137 20.049 1.00 0.00 H new ATOM 0 HE ARG A 54 40.393 31.649 21.541 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.803 31.567 21.579 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.786 29.974 22.341 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.255 29.684 22.657 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.674 28.944 22.931 1.00 0.00 H new ATOM 871 N THR A 55 37.462 37.653 19.950 1.00 0.00 N ATOM 872 CA THR A 55 36.888 38.984 19.908 1.00 0.00 C ATOM 873 C THR A 55 36.784 39.643 21.285 1.00 0.00 C ATOM 874 O THR A 55 36.768 38.972 22.316 1.00 0.00 O ATOM 875 CB THR A 55 35.527 39.018 19.219 1.00 0.00 C ATOM 876 OG1 THR A 55 34.535 38.337 19.953 1.00 0.00 O ATOM 877 CG2 THR A 55 35.551 38.443 17.806 1.00 0.00 C ATOM 0 H THR A 55 36.808 36.955 20.303 1.00 0.00 H new ATOM 0 HA THR A 55 37.592 39.564 19.312 1.00 0.00 H new ATOM 0 HB THR A 55 35.282 40.079 19.163 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.896 37.486 20.280 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.552 38.498 17.374 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.244 39.017 17.191 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.874 37.403 17.842 1.00 0.00 H new ATOM 885 N LEU A 56 36.635 40.964 21.314 1.00 0.00 N ATOM 886 CA LEU A 56 36.381 41.708 22.531 1.00 0.00 C ATOM 887 C LEU A 56 35.121 41.252 23.270 1.00 0.00 C ATOM 888 O LEU A 56 35.096 41.295 24.497 1.00 0.00 O ATOM 889 CB LEU A 56 36.341 43.197 22.195 1.00 0.00 C ATOM 890 CG LEU A 56 37.668 43.780 21.719 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.483 45.276 21.476 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.813 43.615 22.715 1.00 0.00 C ATOM 0 H LEU A 56 36.689 41.549 20.480 1.00 0.00 H new ATOM 0 HA LEU A 56 37.195 41.510 23.228 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.590 43.361 21.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.015 43.746 23.078 1.00 0.00 H new ATOM 0 HG LEU A 56 37.938 43.231 20.817 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.424 45.708 21.135 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.717 45.429 20.716 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.176 45.760 22.403 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.721 44.055 22.302 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.558 44.117 23.648 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.979 42.555 22.907 1.00 0.00 H new ATOM 904 N SER A 57 34.118 40.739 22.563 1.00 0.00 N ATOM 905 CA SER A 57 32.952 40.100 23.142 1.00 0.00 C ATOM 906 C SER A 57 33.235 38.756 23.814 1.00 0.00 C ATOM 907 O SER A 57 32.554 38.435 24.786 1.00 0.00 O ATOM 908 CB SER A 57 31.865 39.898 22.092 1.00 0.00 C ATOM 909 OG SER A 57 31.364 41.137 21.644 1.00 0.00 O ATOM 0 H SER A 57 34.098 40.760 21.543 1.00 0.00 H new ATOM 0 HA SER A 57 32.620 40.786 23.921 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.268 39.337 21.249 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.054 39.303 22.512 1.00 0.00 H new ATOM 0 HG SER A 57 31.892 41.446 20.878 1.00 0.00 H new ATOM 915 N ASP A 58 34.225 37.980 23.383 1.00 0.00 N ATOM 916 CA ASP A 58 34.601 36.746 24.042 1.00 0.00 C ATOM 917 C ASP A 58 35.191 36.990 25.432 1.00 0.00 C ATOM 918 O ASP A 58 35.007 36.176 26.334 1.00 0.00 O ATOM 919 CB ASP A 58 35.607 35.962 23.205 1.00 0.00 C ATOM 920 CG ASP A 58 35.020 35.458 21.885 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.218 34.500 21.919 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.369 35.998 20.812 1.00 0.00 O ATOM 0 H ASP A 58 34.789 38.196 22.561 1.00 0.00 H new ATOM 0 HA ASP A 58 33.685 36.166 24.153 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.469 36.595 22.995 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.969 35.112 23.784 1.00 0.00 H new ATOM 927 N TYR A 59 35.862 38.123 25.624 1.00 0.00 N ATOM 928 CA TYR A 59 36.474 38.527 26.874 1.00 0.00 C ATOM 929 C TYR A 59 35.664 39.555 27.666 1.00 0.00 C ATOM 930 O TYR A 59 36.094 39.950 28.747 1.00 0.00 O ATOM 931 CB TYR A 59 37.881 39.041 26.577 1.00 0.00 C ATOM 932 CG TYR A 59 38.818 38.050 25.930 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.115 36.845 26.579 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.430 38.360 24.709 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.036 35.949 26.024 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.372 37.482 24.159 1.00 0.00 C ATOM 937 CZ TYR A 59 40.685 36.277 24.816 1.00 0.00 C ATOM 938 OH TYR A 59 41.626 35.448 24.281 1.00 0.00 O ATOM 0 H TYR A 59 35.996 38.807 24.880 1.00 0.00 H new ATOM 0 HA TYR A 59 36.511 37.651 27.521 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.800 39.913 25.928 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.329 39.380 27.511 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.630 36.606 27.514 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.176 39.274 24.193 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.248 35.012 26.518 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.860 37.730 23.228 1.00 0.00 H new ATOM 0 HH TYR A 59 41.424 34.521 24.527 1.00 0.00 H new ATOM 948 N ASN A 60 34.520 40.003 27.159 1.00 0.00 N ATOM 949 CA ASN A 60 33.705 41.056 27.730 1.00 0.00 C ATOM 950 C ASN A 60 34.472 42.344 28.036 1.00 0.00 C ATOM 951 O ASN A 60 34.426 42.868 29.147 1.00 0.00 O ATOM 952 CB ASN A 60 32.869 40.514 28.886 1.00 0.00 C ATOM 953 CG ASN A 60 31.628 39.779 28.378 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.652 40.397 27.957 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.652 38.450 28.346 1.00 0.00 N ATOM 0 H ASN A 60 34.123 39.621 26.301 1.00 0.00 H new ATOM 0 HA ASN A 60 33.003 41.383 26.963 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.474 39.837 29.489 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.567 41.336 29.536 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.856 37.934 27.970 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.466 37.946 28.698 1.00 0.00 H new ATOM 962 N ILE A 61 35.163 42.885 27.036 1.00 0.00 N ATOM 963 CA ILE A 61 35.585 44.271 27.044 1.00 0.00 C ATOM 964 C ILE A 61 34.370 45.145 26.725 1.00 0.00 C ATOM 965 O ILE A 61 33.575 44.821 25.846 1.00 0.00 O ATOM 966 CB ILE A 61 36.766 44.486 26.102 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.099 44.098 26.736 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.901 45.928 25.622 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.286 42.598 26.946 1.00 0.00 C ATOM 0 H ILE A 61 35.443 42.370 26.201 1.00 0.00 H new ATOM 0 HA ILE A 61 35.953 44.561 28.028 1.00 0.00 H new ATOM 0 HB ILE A 61 36.544 43.837 25.255 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.908 44.468 26.106 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.189 44.601 27.699 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.760 46.011 24.956 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.997 46.219 25.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.042 46.585 26.480 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.259 42.413 27.401 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.501 42.222 27.602 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.231 42.086 25.985 1.00 0.00 H new ATOM 981 N GLN A 62 34.233 46.260 27.436 1.00 0.00 N ATOM 982 CA GLN A 62 33.193 47.257 27.274 1.00 0.00 C ATOM 983 C GLN A 62 33.793 48.651 27.079 1.00 0.00 C ATOM 984 O GLN A 62 34.996 48.846 27.246 1.00 0.00 O ATOM 985 CB GLN A 62 32.269 47.217 28.486 1.00 0.00 C ATOM 986 CG GLN A 62 31.358 45.992 28.514 1.00 0.00 C ATOM 987 CD GLN A 62 30.449 45.928 29.743 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.460 46.779 30.630 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.606 44.904 29.831 1.00 0.00 N ATOM 0 H GLN A 62 34.885 46.501 28.182 1.00 0.00 H new ATOM 0 HA GLN A 62 32.614 47.030 26.378 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.872 47.233 29.394 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.655 48.118 28.495 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.740 45.989 27.616 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.973 45.092 28.481 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.589 44.193 29.100 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.976 44.829 30.629 1.00 0.00 H new ATOM 998 N LYS A 63 32.957 49.644 26.786 1.00 0.00 N ATOM 999 CA LYS A 63 33.333 51.040 26.689 1.00 0.00 C ATOM 1000 C LYS A 63 34.139 51.512 27.900 1.00 0.00 C ATOM 1001 O LYS A 63 33.801 51.177 29.033 1.00 0.00 O ATOM 1002 CB LYS A 63 32.053 51.848 26.499 1.00 0.00 C ATOM 1003 CG LYS A 63 32.313 53.313 26.159 1.00 0.00 C ATOM 1004 CD LYS A 63 31.034 54.056 25.786 1.00 0.00 C ATOM 1005 CE LYS A 63 30.069 54.263 26.950 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.553 55.280 27.897 1.00 0.00 N ATOM 0 H LYS A 63 31.966 49.486 26.604 1.00 0.00 H new ATOM 0 HA LYS A 63 33.997 51.185 25.837 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.460 51.396 25.703 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.457 51.793 27.410 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.780 53.804 27.012 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.019 53.372 25.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.300 55.029 25.372 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.522 53.503 24.998 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.095 54.563 26.564 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.927 53.318 27.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.816 55.474 28.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.408 54.931 28.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.777 56.155 27.382 1.00 0.00 H new ATOM 1020 N GLU A 64 35.195 52.288 27.669 1.00 0.00 N ATOM 1021 CA GLU A 64 36.092 52.829 28.672 1.00 0.00 C ATOM 1022 C GLU A 64 36.886 51.791 29.468 1.00 0.00 C ATOM 1023 O GLU A 64 37.426 52.089 30.531 1.00 0.00 O ATOM 1024 CB GLU A 64 35.384 53.871 29.534 1.00 0.00 C ATOM 1025 CG GLU A 64 34.937 55.088 28.729 1.00 0.00 C ATOM 1026 CD GLU A 64 33.824 55.867 29.433 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.045 57.046 29.787 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.707 55.333 29.604 1.00 0.00 O ATOM 0 H GLU A 64 35.457 52.568 26.724 1.00 0.00 H new ATOM 0 HA GLU A 64 36.880 53.344 28.122 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.516 53.415 30.010 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.053 54.193 30.332 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.790 55.746 28.563 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.588 54.765 27.748 1.00 0.00 H new ATOM 1035 N SER A 65 37.005 50.571 28.954 1.00 0.00 N ATOM 1036 CA SER A 65 37.937 49.580 29.457 1.00 0.00 C ATOM 1037 C SER A 65 39.384 49.976 29.160 1.00 0.00 C ATOM 1038 O SER A 65 39.671 50.443 28.060 1.00 0.00 O ATOM 1039 CB SER A 65 37.694 48.203 28.847 1.00 0.00 C ATOM 1040 OG SER A 65 36.398 47.727 29.129 1.00 0.00 O ATOM 0 H SER A 65 36.447 50.243 28.166 1.00 0.00 H new ATOM 0 HA SER A 65 37.772 49.535 30.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.836 48.254 27.767 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.432 47.499 29.233 1.00 0.00 H new ATOM 0 HG SER A 65 35.735 48.328 28.731 1.00 0.00 H new ATOM 1046 N THR A 66 40.298 49.712 30.091 1.00 0.00 N ATOM 1047 CA THR A 66 41.726 49.839 29.882 1.00 0.00 C ATOM 1048 C THR A 66 42.389 48.466 29.755 1.00 0.00 C ATOM 1049 O THR A 66 42.354 47.653 30.676 1.00 0.00 O ATOM 1050 CB THR A 66 42.408 50.669 30.967 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.860 51.968 30.990 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.898 50.865 30.697 1.00 0.00 C ATOM 0 H THR A 66 40.054 49.397 31.030 1.00 0.00 H new ATOM 0 HA THR A 66 41.855 50.376 28.942 1.00 0.00 H new ATOM 0 HB THR A 66 42.257 50.127 31.900 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.300 52.496 31.689 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.337 51.461 31.497 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.391 49.894 30.656 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.031 51.380 29.746 1.00 0.00 H new ATOM 1060 N LEU A 67 43.019 48.232 28.607 1.00 0.00 N ATOM 1061 CA LEU A 67 43.847 47.082 28.310 1.00 0.00 C ATOM 1062 C LEU A 67 45.320 47.439 28.531 1.00 0.00 C ATOM 1063 O LEU A 67 45.711 48.598 28.411 1.00 0.00 O ATOM 1064 CB LEU A 67 43.611 46.608 26.879 1.00 0.00 C ATOM 1065 CG LEU A 67 42.266 45.956 26.571 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.073 46.906 26.612 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.322 45.336 25.177 1.00 0.00 C ATOM 0 H LEU A 67 42.958 48.879 27.821 1.00 0.00 H new ATOM 0 HA LEU A 67 43.579 46.265 28.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.730 47.465 26.216 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.397 45.897 26.625 1.00 0.00 H new ATOM 0 HG LEU A 67 42.110 45.217 27.357 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.161 46.355 26.381 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.990 47.343 27.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.214 47.699 25.878 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.365 44.868 24.948 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.531 46.113 24.441 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.111 44.584 25.145 1.00 0.00 H new ATOM 1079 N HIS A 68 46.147 46.438 28.816 1.00 0.00 N ATOM 1080 CA HIS A 68 47.574 46.590 29.022 1.00 0.00 C ATOM 1081 C HIS A 68 48.343 45.958 27.859 1.00 0.00 C ATOM 1082 O HIS A 68 48.019 44.852 27.433 1.00 0.00 O ATOM 1083 CB HIS A 68 47.971 46.033 30.386 1.00 0.00 C ATOM 1084 CG HIS A 68 47.381 46.786 31.545 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.090 47.630 32.399 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.060 46.796 31.913 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.186 48.153 33.231 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.958 47.675 32.972 1.00 0.00 N ATOM 0 H HIS A 68 45.829 45.474 28.912 1.00 0.00 H new ATOM 0 HA HIS A 68 47.840 47.647 29.031 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.660 44.990 30.446 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.058 46.047 30.471 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.259 46.229 31.463 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.413 48.866 34.010 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.102 47.918 33.470 1.00 0.00 H new ATOM 1096 N LEU A 69 49.352 46.659 27.351 1.00 0.00 N ATOM 1097 CA LEU A 69 50.161 46.279 26.210 1.00 0.00 C ATOM 1098 C LEU A 69 51.590 45.968 26.656 1.00 0.00 C ATOM 1099 O LEU A 69 52.254 46.802 27.265 1.00 0.00 O ATOM 1100 CB LEU A 69 50.091 47.404 25.181 1.00 0.00 C ATOM 1101 CG LEU A 69 51.005 47.289 23.964 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.726 46.058 23.106 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.823 48.521 23.083 1.00 0.00 C ATOM 0 H LEU A 69 49.638 47.554 27.749 1.00 0.00 H new ATOM 0 HA LEU A 69 49.783 45.368 25.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.063 47.475 24.827 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.319 48.341 25.688 1.00 0.00 H new ATOM 0 HG LEU A 69 52.021 47.203 24.350 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.413 46.041 22.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.866 45.158 23.705 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.700 46.094 22.740 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.474 48.445 22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.785 48.585 22.756 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.080 49.415 23.651 1.00 0.00 H new ATOM 1115 N VAL A 70 52.071 44.780 26.300 1.00 0.00 N ATOM 1116 CA VAL A 70 53.423 44.301 26.508 1.00 0.00 C ATOM 1117 C VAL A 70 54.129 44.142 25.159 1.00 0.00 C ATOM 1118 O VAL A 70 53.499 43.754 24.178 1.00 0.00 O ATOM 1119 CB VAL A 70 53.405 43.010 27.321 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.758 42.305 27.381 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.973 43.289 28.757 1.00 0.00 C ATOM 0 H VAL A 70 51.487 44.088 25.830 1.00 0.00 H new ATOM 0 HA VAL A 70 53.991 45.029 27.086 1.00 0.00 H new ATOM 0 HB VAL A 70 52.699 42.358 26.806 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.668 41.396 27.975 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.080 42.049 26.372 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.493 42.967 27.839 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.966 42.357 29.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.671 43.988 29.218 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.973 43.722 28.758 1.00 0.00 H new ATOM 1131 N LEU A 71 55.429 44.414 25.119 1.00 0.00 N ATOM 1132 CA LEU A 71 56.289 44.177 23.976 1.00 0.00 C ATOM 1133 C LEU A 71 57.320 43.069 24.199 1.00 0.00 C ATOM 1134 O LEU A 71 57.767 42.811 25.314 1.00 0.00 O ATOM 1135 CB LEU A 71 56.850 45.483 23.420 1.00 0.00 C ATOM 1136 CG LEU A 71 57.464 46.491 24.387 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.645 45.937 25.180 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.956 47.707 23.610 1.00 0.00 C ATOM 0 H LEU A 71 55.926 44.820 25.912 1.00 0.00 H new ATOM 0 HA LEU A 71 55.665 43.766 23.182 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.611 45.228 22.683 1.00 0.00 H new ATOM 0 HB3 LEU A 71 56.045 45.987 22.886 1.00 0.00 H new ATOM 0 HG LEU A 71 56.676 46.748 25.095 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.030 46.709 25.846 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.318 45.080 25.769 1.00 0.00 H new ATOM 0 HD13 LEU A 71 59.431 45.626 24.492 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.395 48.427 24.301 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.708 47.396 22.885 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.118 48.169 23.088 1.00 0.00 H new ATOM 1150 N ARG A 72 57.660 42.374 23.118 1.00 0.00 N ATOM 1151 CA ARG A 72 58.394 41.124 23.119 1.00 0.00 C ATOM 1152 C ARG A 72 59.503 41.122 22.066 1.00 0.00 C ATOM 1153 O ARG A 72 59.341 41.694 20.990 1.00 0.00 O ATOM 1154 CB ARG A 72 57.367 40.012 22.924 1.00 0.00 C ATOM 1155 CG ARG A 72 57.851 38.623 23.333 1.00 0.00 C ATOM 1156 CD ARG A 72 56.671 37.657 23.396 1.00 0.00 C ATOM 1157 NE ARG A 72 57.089 36.319 23.815 1.00 0.00 N ATOM 1158 CZ ARG A 72 57.572 35.338 23.041 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.731 35.460 21.715 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.928 34.180 23.614 1.00 0.00 N ATOM 0 H ARG A 72 57.418 42.685 22.177 1.00 0.00 H new ATOM 0 HA ARG A 72 58.918 40.971 24.062 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.474 40.255 23.499 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.073 39.986 21.875 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.590 38.261 22.618 1.00 0.00 H new ATOM 0 HG3 ARG A 72 58.344 38.672 24.304 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.924 38.040 24.092 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.195 37.600 22.417 1.00 0.00 H new ATOM 0 HE ARG A 72 57.003 36.109 24.809 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.479 36.332 21.249 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.104 34.681 21.172 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.829 34.058 24.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 58.298 33.421 23.042 1.00 0.00 H new ATOM 1174 N LEU A 73 60.625 40.470 22.360 1.00 0.00 N ATOM 1175 CA LEU A 73 61.844 40.544 21.580 1.00 0.00 C ATOM 1176 C LEU A 73 62.129 39.297 20.741 1.00 0.00 C ATOM 1177 O LEU A 73 62.539 39.418 19.588 1.00 0.00 O ATOM 1178 CB LEU A 73 63.008 40.859 22.516 1.00 0.00 C ATOM 1179 CG LEU A 73 62.887 42.116 23.372 1.00 0.00 C ATOM 1180 CD1 LEU A 73 64.142 42.273 24.224 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.702 43.387 22.548 1.00 0.00 C ATOM 0 H LEU A 73 60.707 39.859 23.173 1.00 0.00 H new ATOM 0 HA LEU A 73 61.714 41.343 20.850 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.147 40.008 23.182 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.913 40.944 21.914 1.00 0.00 H new ATOM 0 HG LEU A 73 61.998 41.989 23.989 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.056 43.171 24.836 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.254 41.403 24.871 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.014 42.358 23.575 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.622 44.245 23.216 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.558 43.520 21.887 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.793 43.305 21.952 1.00 0.00 H new ATOM 1193 N ARG A 74 61.892 38.100 21.269 1.00 0.00 N ATOM 1194 CA ARG A 74 62.263 36.829 20.679 1.00 0.00 C ATOM 1195 C ARG A 74 61.382 36.310 19.541 1.00 0.00 C ATOM 1196 O ARG A 74 61.146 35.111 19.417 1.00 0.00 O ATOM 1197 CB ARG A 74 62.553 35.812 21.779 1.00 0.00 C ATOM 1198 CG ARG A 74 61.349 35.461 22.647 1.00 0.00 C ATOM 1199 CD ARG A 74 61.672 34.373 23.668 1.00 0.00 C ATOM 1200 NE ARG A 74 62.635 34.817 24.674 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.502 34.808 26.008 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.408 34.358 26.638 1.00 0.00 N ATOM 1203 NH2 ARG A 74 63.515 35.258 26.761 1.00 0.00 N ATOM 0 H ARG A 74 61.413 37.991 22.163 1.00 0.00 H new ATOM 0 HA ARG A 74 63.185 37.014 20.127 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.934 34.899 21.321 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.345 36.203 22.418 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.006 36.355 23.168 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.529 35.128 22.011 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.753 34.060 24.163 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.069 33.500 23.150 1.00 0.00 H new ATOM 0 HE ARG A 74 63.519 35.179 24.316 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.621 33.998 26.099 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.363 34.375 27.657 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.368 35.599 26.317 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.433 35.259 27.778 1.00 0.00 H new ATOM 1217 N GLY A 75 60.887 37.195 18.680 1.00 0.00 N ATOM 1218 CA GLY A 75 60.055 36.868 17.538 1.00 0.00 C ATOM 1219 C GLY A 75 59.677 38.070 16.671 1.00 0.00 C ATOM 1220 O GLY A 75 60.026 39.206 16.986 1.00 0.00 O ATOM 0 H GLY A 75 61.064 38.196 18.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.578 36.138 16.919 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.142 36.389 17.893 1.00 0.00 H new ATOM 1224 N GLY A 76 58.931 37.812 15.601 1.00 0.00 N ATOM 1225 CA GLY A 76 58.406 38.799 14.678 1.00 0.00 C ATOM 1226 C GLY A 76 59.456 39.477 13.796 1.00 0.00 C ATOM 1227 O GLY A 76 60.147 38.774 13.027 1.00 0.00 O ATOM 1228 OXT GLY A 76 59.544 40.723 13.846 1.00 0.00 O ATOM 0 H GLY A 76 58.666 36.860 15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 76 57.668 38.318 14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 76 57.881 39.566 15.248 1.00 0.00 H new TER 1232 GLY A 76