USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 66 THR OG1 : rot 103:sc= 0.77 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.375 K(o=0.39,f=-4.2) USER MOD Set 2.1: A 7 THR OG1 : rot -50:sc= 0.607 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.0966 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc=-0.00484 (180deg=-0.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -94:sc= 0.264 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.2!) USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= -4.02! (180deg=-5.97!) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= -0.016 (180deg=-0.309) USER MOD Single : A 31 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.9!) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= -3.75! (180deg=-7.14!) USER MOD Single : A 40 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.098) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.104 (180deg=-0.672) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00451 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.557 USER MOD Single : A 60 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 29.118 29.258 2.740 1.00 0.00 N ATOM 21 CA GLN A 2 29.219 30.543 3.417 1.00 0.00 C ATOM 22 C GLN A 2 28.242 30.610 4.589 1.00 0.00 C ATOM 23 O GLN A 2 27.050 30.862 4.410 1.00 0.00 O ATOM 24 CB GLN A 2 28.910 31.661 2.437 1.00 0.00 C ATOM 25 CG GLN A 2 29.689 31.441 1.138 1.00 0.00 C ATOM 26 CD GLN A 2 29.547 32.656 0.225 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.958 33.662 0.617 1.00 0.00 O ATOM 28 NE2 GLN A 2 30.057 32.621 -0.977 1.00 0.00 N ATOM 0 HA GLN A 2 30.234 30.657 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.840 31.690 2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.177 32.624 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 2 30.741 31.266 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 2 29.319 30.550 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.545 31.786 -1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.967 33.429 -1.593 1.00 0.00 H new ATOM 37 N ILE A 3 28.760 30.364 5.782 1.00 0.00 N ATOM 38 CA ILE A 3 27.936 30.379 6.999 1.00 0.00 C ATOM 39 C ILE A 3 28.087 31.700 7.742 1.00 0.00 C ATOM 40 O ILE A 3 29.126 32.352 7.666 1.00 0.00 O ATOM 41 CB ILE A 3 28.330 29.220 7.925 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.746 29.438 8.475 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.291 27.902 7.144 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.113 28.289 9.415 1.00 0.00 C ATOM 0 H ILE A 3 29.745 30.151 5.942 1.00 0.00 H new ATOM 0 HA ILE A 3 26.894 30.263 6.700 1.00 0.00 H new ATOM 0 HB ILE A 3 27.625 29.179 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.461 29.493 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.798 30.388 9.007 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.571 27.080 7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.284 27.735 6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.991 27.953 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.119 28.445 9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.404 28.255 10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.078 27.347 8.869 1.00 0.00 H new ATOM 56 N PHE A 4 27.038 32.089 8.457 1.00 0.00 N ATOM 57 CA PHE A 4 27.046 33.342 9.215 1.00 0.00 C ATOM 58 C PHE A 4 27.396 33.086 10.675 1.00 0.00 C ATOM 59 O PHE A 4 26.769 32.249 11.323 1.00 0.00 O ATOM 60 CB PHE A 4 25.666 33.994 9.136 1.00 0.00 C ATOM 61 CG PHE A 4 25.424 34.518 7.741 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.813 33.700 6.783 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.803 35.823 7.407 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.581 34.188 5.491 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.572 36.310 6.115 1.00 0.00 C ATOM 66 CZ PHE A 4 24.961 35.493 5.158 1.00 0.00 C ATOM 0 H PHE A 4 26.170 31.558 8.530 1.00 0.00 H new ATOM 0 HA PHE A 4 27.798 34.003 8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.896 33.269 9.400 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.597 34.809 9.857 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.521 32.693 7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.274 36.454 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.109 33.558 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.866 37.317 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.782 35.870 4.162 1.00 0.00 H new ATOM 76 N VAL A 5 28.383 33.823 11.205 1.00 0.00 N ATOM 77 CA VAL A 5 28.785 33.671 12.604 1.00 0.00 C ATOM 78 C VAL A 5 28.428 34.924 13.390 1.00 0.00 C ATOM 79 O VAL A 5 28.946 36.017 13.133 1.00 0.00 O ATOM 80 CB VAL A 5 30.289 33.404 12.700 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.760 33.565 14.154 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.555 31.970 12.248 1.00 0.00 C ATOM 0 H VAL A 5 28.912 34.525 10.687 1.00 0.00 H new ATOM 0 HA VAL A 5 28.251 32.821 13.029 1.00 0.00 H new ATOM 0 HB VAL A 5 30.827 34.112 12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.831 33.373 14.213 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.554 34.580 14.493 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.229 32.856 14.789 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.623 31.761 12.310 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.012 31.279 12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.220 31.845 11.218 1.00 0.00 H new ATOM 92 N LYS A 6 27.529 34.743 14.337 1.00 0.00 N ATOM 93 CA LYS A 6 27.068 35.838 15.176 1.00 0.00 C ATOM 94 C LYS A 6 27.911 35.936 16.450 1.00 0.00 C ATOM 95 O LYS A 6 27.765 35.126 17.364 1.00 0.00 O ATOM 96 CB LYS A 6 25.604 35.585 15.528 1.00 0.00 C ATOM 97 CG LYS A 6 24.926 36.876 15.977 1.00 0.00 C ATOM 98 CD LYS A 6 23.441 36.583 16.212 1.00 0.00 C ATOM 99 CE LYS A 6 22.704 37.866 16.591 1.00 0.00 C ATOM 100 NZ LYS A 6 21.288 37.538 16.928 1.00 0.00 N ATOM 0 H LYS A 6 27.099 33.842 14.548 1.00 0.00 H new ATOM 0 HA LYS A 6 27.169 36.781 14.639 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.082 35.176 14.663 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.539 34.840 16.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.388 37.250 16.891 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.045 37.651 15.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.001 36.154 15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.330 35.843 17.005 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.192 38.342 17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.738 38.577 15.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.782 38.409 17.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.827 37.102 16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.266 36.874 17.728 1.00 0.00 H new ATOM 114 N THR A 7 28.789 36.935 16.502 1.00 0.00 N ATOM 115 CA THR A 7 29.647 37.131 17.671 1.00 0.00 C ATOM 116 C THR A 7 28.829 37.692 18.830 1.00 0.00 C ATOM 117 O THR A 7 27.669 38.064 18.649 1.00 0.00 O ATOM 118 CB THR A 7 30.797 38.084 17.339 1.00 0.00 C ATOM 119 OG1 THR A 7 30.275 39.370 17.040 1.00 0.00 O ATOM 120 CG2 THR A 7 31.580 37.548 16.135 1.00 0.00 C ATOM 0 H THR A 7 28.926 37.617 15.756 1.00 0.00 H new ATOM 0 HA THR A 7 30.065 36.166 17.959 1.00 0.00 H new ATOM 0 HB THR A 7 31.466 38.157 18.196 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.560 39.286 16.375 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.398 38.229 15.901 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.983 36.564 16.372 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.916 37.470 15.274 1.00 0.00 H new ATOM 128 N LEU A 8 29.421 37.756 20.024 1.00 0.00 N ATOM 129 CA LEU A 8 28.704 38.273 21.185 1.00 0.00 C ATOM 130 C LEU A 8 28.694 39.800 21.191 1.00 0.00 C ATOM 131 O LEU A 8 27.759 40.417 21.698 1.00 0.00 O ATOM 132 CB LEU A 8 29.366 37.767 22.475 1.00 0.00 C ATOM 133 CG LEU A 8 28.404 37.956 23.669 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.475 36.741 23.796 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.207 38.108 24.968 1.00 0.00 C ATOM 0 H LEU A 8 30.380 37.461 20.209 1.00 0.00 H new ATOM 0 HA LEU A 8 27.675 37.918 21.131 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.628 36.714 22.371 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.294 38.310 22.655 1.00 0.00 H new ATOM 0 HG LEU A 8 27.809 38.853 23.497 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.801 36.885 24.641 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.892 36.631 22.881 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.071 35.842 23.956 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.522 38.241 25.806 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.809 37.214 25.130 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.860 38.977 24.892 1.00 0.00 H new ATOM 147 N THR A 9 29.738 40.407 20.635 1.00 0.00 N ATOM 148 CA THR A 9 29.820 41.863 20.600 1.00 0.00 C ATOM 149 C THR A 9 28.779 42.434 19.644 1.00 0.00 C ATOM 150 O THR A 9 28.664 43.649 19.493 1.00 0.00 O ATOM 151 CB THR A 9 31.217 42.305 20.158 1.00 0.00 C ATOM 152 OG1 THR A 9 31.592 41.589 18.989 1.00 0.00 O ATOM 153 CG2 THR A 9 32.222 42.027 21.276 1.00 0.00 C ATOM 0 H THR A 9 30.528 39.922 20.209 1.00 0.00 H new ATOM 0 HA THR A 9 29.625 42.240 21.604 1.00 0.00 H new ATOM 0 HB THR A 9 31.208 43.373 19.941 1.00 0.00 H new ATOM 0 HG1 THR A 9 32.486 41.873 18.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 33.216 42.343 20.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.934 42.580 22.170 1.00 0.00 H new ATOM 0 HG23 THR A 9 32.234 40.960 21.498 1.00 0.00 H new ATOM 161 N GLY A 10 28.019 41.550 19.003 1.00 0.00 N ATOM 162 CA GLY A 10 26.986 41.981 18.065 1.00 0.00 C ATOM 163 C GLY A 10 27.564 42.156 16.668 1.00 0.00 C ATOM 164 O GLY A 10 26.889 42.653 15.766 1.00 0.00 O ATOM 0 H GLY A 10 28.097 40.539 19.114 1.00 0.00 H new ATOM 0 HA2 GLY A 10 26.181 41.247 18.041 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.550 42.921 18.404 1.00 0.00 H new ATOM 168 N LYS A 11 28.810 41.723 16.481 1.00 0.00 N ATOM 169 CA LYS A 11 29.456 41.812 15.175 1.00 0.00 C ATOM 170 C LYS A 11 29.182 40.541 14.380 1.00 0.00 C ATOM 171 O LYS A 11 29.522 39.441 14.816 1.00 0.00 O ATOM 172 CB LYS A 11 30.972 42.008 15.346 1.00 0.00 C ATOM 173 CG LYS A 11 31.280 43.494 15.575 1.00 0.00 C ATOM 174 CD LYS A 11 30.455 44.013 16.756 1.00 0.00 C ATOM 175 CE LYS A 11 30.963 45.399 17.161 1.00 0.00 C ATOM 176 NZ LYS A 11 30.729 46.360 16.046 1.00 0.00 N ATOM 0 H LYS A 11 29.388 41.310 17.213 1.00 0.00 H new ATOM 0 HA LYS A 11 29.051 42.668 14.635 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.332 41.418 16.189 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.497 41.650 14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.343 43.629 15.774 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.048 44.067 14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.401 44.065 16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.532 43.325 17.598 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.449 45.738 18.061 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.026 45.353 17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.899 47.330 16.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.378 46.147 15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.747 46.275 15.715 1.00 0.00 H new ATOM 190 N THR A 12 28.574 40.694 13.214 1.00 0.00 N ATOM 191 CA THR A 12 28.261 39.547 12.364 1.00 0.00 C ATOM 192 C THR A 12 29.222 39.484 11.182 1.00 0.00 C ATOM 193 O THR A 12 29.357 40.450 10.429 1.00 0.00 O ATOM 194 CB THR A 12 26.831 39.672 11.843 1.00 0.00 C ATOM 195 OG1 THR A 12 25.929 39.641 12.940 1.00 0.00 O ATOM 196 CG2 THR A 12 26.527 38.509 10.893 1.00 0.00 C ATOM 0 H THR A 12 28.287 41.595 12.832 1.00 0.00 H new ATOM 0 HA THR A 12 28.362 38.636 12.954 1.00 0.00 H new ATOM 0 HB THR A 12 26.719 40.613 11.305 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.010 39.723 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.506 38.600 10.522 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.222 38.534 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.637 37.565 11.427 1.00 0.00 H new ATOM 204 N ILE A 13 29.881 38.337 11.014 1.00 0.00 N ATOM 205 CA ILE A 13 30.821 38.156 9.904 1.00 0.00 C ATOM 206 C ILE A 13 30.637 36.780 9.281 1.00 0.00 C ATOM 207 O ILE A 13 30.443 35.790 9.985 1.00 0.00 O ATOM 208 CB ILE A 13 32.259 38.302 10.397 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.465 37.425 11.640 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.534 39.768 10.741 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.856 37.667 12.216 1.00 0.00 C ATOM 0 H ILE A 13 29.784 37.526 11.625 1.00 0.00 H new ATOM 0 HA ILE A 13 30.621 38.922 9.155 1.00 0.00 H new ATOM 0 HB ILE A 13 32.948 37.983 9.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.706 37.654 12.388 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.347 36.373 11.378 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.560 39.873 11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 32.390 40.383 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.847 40.093 11.523 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.998 37.043 13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.608 37.416 11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.957 38.716 12.494 1.00 0.00 H new ATOM 223 N THR A 14 30.663 36.732 7.953 1.00 0.00 N ATOM 224 CA THR A 14 30.463 35.475 7.238 1.00 0.00 C ATOM 225 C THR A 14 31.757 34.666 7.173 1.00 0.00 C ATOM 226 O THR A 14 32.857 35.218 7.115 1.00 0.00 O ATOM 227 CB THR A 14 29.947 35.759 5.825 1.00 0.00 C ATOM 228 OG1 THR A 14 28.920 36.738 5.894 1.00 0.00 O ATOM 229 CG2 THR A 14 29.381 34.474 5.207 1.00 0.00 C ATOM 0 H THR A 14 30.819 37.542 7.353 1.00 0.00 H new ATOM 0 HA THR A 14 29.725 34.885 7.781 1.00 0.00 H new ATOM 0 HB THR A 14 30.768 36.122 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.047 36.294 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.016 34.684 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.165 33.718 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.560 34.106 5.822 1.00 0.00 H new ATOM 237 N LEU A 15 31.595 33.346 7.208 1.00 0.00 N ATOM 238 CA LEU A 15 32.717 32.409 7.177 1.00 0.00 C ATOM 239 C LEU A 15 32.609 31.477 5.968 1.00 0.00 C ATOM 240 O LEU A 15 31.567 30.862 5.734 1.00 0.00 O ATOM 241 CB LEU A 15 32.696 31.576 8.487 1.00 0.00 C ATOM 242 CG LEU A 15 34.068 31.572 9.175 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.290 32.906 9.890 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.112 30.437 10.205 1.00 0.00 C ATOM 0 H LEU A 15 30.682 32.894 7.259 1.00 0.00 H new ATOM 0 HA LEU A 15 33.652 32.963 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.948 31.985 9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.397 30.552 8.263 1.00 0.00 H new ATOM 0 HG LEU A 15 34.847 31.426 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.265 32.900 10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.252 33.718 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.511 33.052 10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.085 30.430 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.330 30.590 10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.952 29.483 9.702 1.00 0.00 H new ATOM 256 N GLU A 16 33.703 31.354 5.227 1.00 0.00 N ATOM 257 CA GLU A 16 33.735 30.462 4.066 1.00 0.00 C ATOM 258 C GLU A 16 34.346 29.133 4.488 1.00 0.00 C ATOM 259 O GLU A 16 35.473 29.093 4.980 1.00 0.00 O ATOM 260 CB GLU A 16 34.569 31.075 2.938 1.00 0.00 C ATOM 261 CG GLU A 16 33.943 32.401 2.500 1.00 0.00 C ATOM 262 CD GLU A 16 34.219 33.477 3.544 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.234 33.380 4.212 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.409 34.381 3.661 1.00 0.00 O ATOM 0 H GLU A 16 34.574 31.854 5.404 1.00 0.00 H new ATOM 0 HA GLU A 16 32.719 30.312 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.592 31.238 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.618 30.388 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.351 32.705 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.868 32.279 2.367 1.00 0.00 H new ATOM 271 N VAL A 17 33.603 28.044 4.297 1.00 0.00 N ATOM 272 CA VAL A 17 34.101 26.716 4.679 1.00 0.00 C ATOM 273 C VAL A 17 33.533 25.641 3.760 1.00 0.00 C ATOM 274 O VAL A 17 32.578 25.863 3.023 1.00 0.00 O ATOM 275 CB VAL A 17 33.749 26.418 6.154 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.302 26.822 6.455 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.906 24.931 6.479 1.00 0.00 C ATOM 0 H VAL A 17 32.669 28.049 3.887 1.00 0.00 H new ATOM 0 HA VAL A 17 35.186 26.709 4.573 1.00 0.00 H new ATOM 0 HB VAL A 17 34.439 26.997 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.073 26.604 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.176 27.889 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.626 26.260 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.650 24.758 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.242 24.347 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 17 34.938 24.627 6.303 1.00 0.00 H new ATOM 287 N GLU A 18 34.134 24.467 3.849 1.00 0.00 N ATOM 288 CA GLU A 18 33.704 23.307 3.061 1.00 0.00 C ATOM 289 C GLU A 18 32.738 22.450 3.891 1.00 0.00 C ATOM 290 O GLU A 18 32.944 22.288 5.091 1.00 0.00 O ATOM 291 CB GLU A 18 34.916 22.467 2.660 1.00 0.00 C ATOM 292 CG GLU A 18 35.969 23.368 2.013 1.00 0.00 C ATOM 293 CD GLU A 18 37.123 22.524 1.484 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.022 21.311 1.552 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.091 23.104 1.019 1.00 0.00 O ATOM 0 H GLU A 18 34.928 24.284 4.462 1.00 0.00 H new ATOM 0 HA GLU A 18 33.199 23.657 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.334 21.972 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.615 21.684 1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.521 23.938 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.339 24.090 2.741 1.00 0.00 H new ATOM 302 N PRO A 19 31.697 21.902 3.309 1.00 0.00 N ATOM 303 CA PRO A 19 30.720 21.074 4.080 1.00 0.00 C ATOM 304 C PRO A 19 31.353 19.796 4.628 1.00 0.00 C ATOM 305 O PRO A 19 30.750 19.093 5.440 1.00 0.00 O ATOM 306 CB PRO A 19 29.613 20.765 3.057 1.00 0.00 C ATOM 307 CG PRO A 19 30.275 20.892 1.722 1.00 0.00 C ATOM 308 CD PRO A 19 31.334 21.983 1.881 1.00 0.00 C ATOM 0 HA PRO A 19 30.346 21.593 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.208 19.764 3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.781 21.462 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.729 19.948 1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.552 21.159 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.195 21.804 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.940 22.966 1.622 1.00 0.00 H new ATOM 316 N SER A 20 32.570 19.501 4.183 1.00 0.00 N ATOM 317 CA SER A 20 33.278 18.306 4.638 1.00 0.00 C ATOM 318 C SER A 20 34.191 18.651 5.805 1.00 0.00 C ATOM 319 O SER A 20 34.495 17.795 6.640 1.00 0.00 O ATOM 320 CB SER A 20 34.092 17.716 3.487 1.00 0.00 C ATOM 321 OG SER A 20 34.894 16.647 3.973 1.00 0.00 O ATOM 0 H SER A 20 33.086 20.069 3.511 1.00 0.00 H new ATOM 0 HA SER A 20 32.550 17.567 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.426 17.357 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.723 18.485 3.042 1.00 0.00 H new ATOM 0 HG SER A 20 35.415 16.267 3.235 1.00 0.00 H new ATOM 327 N ASP A 21 34.660 19.897 5.848 1.00 0.00 N ATOM 328 CA ASP A 21 35.556 20.328 6.902 1.00 0.00 C ATOM 329 C ASP A 21 34.981 19.979 8.269 1.00 0.00 C ATOM 330 O ASP A 21 33.760 19.994 8.474 1.00 0.00 O ATOM 331 CB ASP A 21 35.746 21.848 6.799 1.00 0.00 C ATOM 332 CG ASP A 21 36.752 22.194 5.703 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.256 21.279 5.075 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.010 23.373 5.513 1.00 0.00 O ATOM 0 H ASP A 21 34.431 20.619 5.164 1.00 0.00 H new ATOM 0 HA ASP A 21 36.513 19.819 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.790 22.325 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.092 22.242 7.755 1.00 0.00 H new ATOM 339 N THR A 22 35.872 19.662 9.201 1.00 0.00 N ATOM 340 CA THR A 22 35.449 19.314 10.549 1.00 0.00 C ATOM 341 C THR A 22 35.196 20.581 11.363 1.00 0.00 C ATOM 342 O THR A 22 35.374 21.702 10.873 1.00 0.00 O ATOM 343 CB THR A 22 36.512 18.458 11.240 1.00 0.00 C ATOM 344 OG1 THR A 22 37.727 19.186 11.316 1.00 0.00 O ATOM 345 CG2 THR A 22 36.730 17.172 10.441 1.00 0.00 C ATOM 0 H THR A 22 36.880 19.639 9.050 1.00 0.00 H new ATOM 0 HA THR A 22 34.525 18.740 10.483 1.00 0.00 H new ATOM 0 HB THR A 22 36.179 18.204 12.247 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.409 18.639 11.760 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.487 16.562 10.933 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.795 16.615 10.386 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.063 17.422 9.434 1.00 0.00 H new ATOM 353 N ILE A 23 34.801 20.402 12.611 1.00 0.00 N ATOM 354 CA ILE A 23 34.553 21.551 13.474 1.00 0.00 C ATOM 355 C ILE A 23 35.881 22.171 13.900 1.00 0.00 C ATOM 356 O ILE A 23 36.035 23.391 13.900 1.00 0.00 O ATOM 357 CB ILE A 23 33.735 21.130 14.700 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.578 20.222 14.261 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.164 22.369 15.393 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.856 20.827 13.049 1.00 0.00 C ATOM 0 H ILE A 23 34.646 19.493 13.046 1.00 0.00 H new ATOM 0 HA ILE A 23 33.979 22.295 12.922 1.00 0.00 H new ATOM 0 HB ILE A 23 34.383 20.592 15.391 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.959 19.232 14.009 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.875 20.093 15.084 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.584 22.064 16.264 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.981 23.017 15.710 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.520 22.910 14.699 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.038 20.172 12.749 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.458 21.807 13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.559 20.932 12.222 1.00 0.00 H new ATOM 372 N GLU A 24 36.847 21.321 14.234 1.00 0.00 N ATOM 373 CA GLU A 24 38.166 21.805 14.633 1.00 0.00 C ATOM 374 C GLU A 24 38.658 22.835 13.625 1.00 0.00 C ATOM 375 O GLU A 24 39.467 23.705 13.947 1.00 0.00 O ATOM 376 CB GLU A 24 39.159 20.645 14.705 1.00 0.00 C ATOM 377 CG GLU A 24 38.535 19.477 15.471 1.00 0.00 C ATOM 378 CD GLU A 24 38.140 19.924 16.874 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.068 20.490 17.016 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.917 19.695 17.787 1.00 0.00 O ATOM 0 H GLU A 24 36.745 20.306 14.237 1.00 0.00 H new ATOM 0 HA GLU A 24 38.089 22.264 15.618 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.435 20.327 13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.075 20.968 15.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.659 19.109 14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.243 18.650 15.530 1.00 0.00 H new ATOM 387 N ASN A 25 38.127 22.751 12.411 1.00 0.00 N ATOM 388 CA ASN A 25 38.491 23.702 11.367 1.00 0.00 C ATOM 389 C ASN A 25 37.741 25.008 11.597 1.00 0.00 C ATOM 390 O ASN A 25 38.347 26.060 11.786 1.00 0.00 O ATOM 391 CB ASN A 25 38.146 23.150 9.984 1.00 0.00 C ATOM 392 CG ASN A 25 38.582 24.138 8.907 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.133 25.285 8.896 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.436 23.763 7.995 1.00 0.00 N ATOM 0 H ASN A 25 37.450 22.043 12.127 1.00 0.00 H new ATOM 0 HA ASN A 25 39.566 23.875 11.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.641 22.191 9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.073 22.970 9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.732 24.420 7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.808 22.813 8.004 1.00 0.00 H new ATOM 401 N VAL A 26 36.414 24.934 11.571 1.00 0.00 N ATOM 402 CA VAL A 26 35.593 26.127 11.779 1.00 0.00 C ATOM 403 C VAL A 26 36.098 26.916 12.975 1.00 0.00 C ATOM 404 O VAL A 26 35.992 28.145 13.024 1.00 0.00 O ATOM 405 CB VAL A 26 34.142 25.720 12.009 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.288 26.961 12.268 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.634 25.006 10.771 1.00 0.00 C ATOM 0 H VAL A 26 35.888 24.075 11.411 1.00 0.00 H new ATOM 0 HA VAL A 26 35.658 26.755 10.891 1.00 0.00 H new ATOM 0 HB VAL A 26 34.079 25.060 12.874 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.252 26.662 12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.660 27.481 13.151 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.342 27.626 11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.596 24.709 10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.699 25.675 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.242 24.120 10.587 1.00 0.00 H new ATOM 417 N LYS A 27 36.675 26.197 13.921 1.00 0.00 N ATOM 418 CA LYS A 27 37.226 26.823 15.110 1.00 0.00 C ATOM 419 C LYS A 27 38.486 27.583 14.744 1.00 0.00 C ATOM 420 O LYS A 27 38.645 28.752 15.088 1.00 0.00 O ATOM 421 CB LYS A 27 37.561 25.754 16.154 1.00 0.00 C ATOM 422 CG LYS A 27 36.267 25.126 16.694 1.00 0.00 C ATOM 423 CD LYS A 27 36.535 24.443 18.040 1.00 0.00 C ATOM 424 CE LYS A 27 35.206 24.057 18.688 1.00 0.00 C ATOM 425 NZ LYS A 27 34.493 23.079 17.820 1.00 0.00 N ATOM 0 H LYS A 27 36.774 25.182 13.890 1.00 0.00 H new ATOM 0 HA LYS A 27 36.490 27.512 15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.191 24.984 15.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.129 26.197 16.972 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.503 25.894 16.813 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.880 24.400 15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.152 23.556 17.894 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.091 25.113 18.696 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.382 23.624 19.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.590 24.944 18.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.658 23.534 17.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.131 22.756 17.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.192 22.264 18.391 1.00 0.00 H new ATOM 439 N ALA A 28 39.377 26.902 14.043 1.00 0.00 N ATOM 440 CA ALA A 28 40.633 27.503 13.627 1.00 0.00 C ATOM 441 C ALA A 28 40.387 28.841 12.931 1.00 0.00 C ATOM 442 O ALA A 28 41.182 29.770 13.063 1.00 0.00 O ATOM 443 CB ALA A 28 41.360 26.547 12.683 1.00 0.00 C ATOM 0 H ALA A 28 39.254 25.933 13.750 1.00 0.00 H new ATOM 0 HA ALA A 28 41.248 27.686 14.508 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.303 26.994 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.558 25.607 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.738 26.357 11.808 1.00 0.00 H new ATOM 449 N LYS A 29 39.272 28.934 12.213 1.00 0.00 N ATOM 450 CA LYS A 29 38.931 30.176 11.529 1.00 0.00 C ATOM 451 C LYS A 29 38.591 31.257 12.557 1.00 0.00 C ATOM 452 O LYS A 29 39.261 32.288 12.633 1.00 0.00 O ATOM 453 CB LYS A 29 37.752 29.953 10.578 1.00 0.00 C ATOM 454 CG LYS A 29 38.264 29.332 9.267 1.00 0.00 C ATOM 455 CD LYS A 29 37.119 28.632 8.547 1.00 0.00 C ATOM 456 CE LYS A 29 37.650 27.940 7.290 1.00 0.00 C ATOM 457 NZ LYS A 29 38.145 28.968 6.330 1.00 0.00 N ATOM 0 H LYS A 29 38.599 28.177 12.091 1.00 0.00 H new ATOM 0 HA LYS A 29 39.788 30.505 10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.016 29.296 11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.251 30.899 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.688 30.107 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.062 28.620 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.653 27.901 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.349 29.355 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.455 27.254 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.862 27.345 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.696 28.822 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.908 29.917 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.177 28.883 6.232 1.00 0.00 H new ATOM 471 N ILE A 30 37.536 31.017 13.333 1.00 0.00 N ATOM 472 CA ILE A 30 37.101 31.968 14.339 1.00 0.00 C ATOM 473 C ILE A 30 38.271 32.407 15.227 1.00 0.00 C ATOM 474 O ILE A 30 38.399 33.588 15.553 1.00 0.00 O ATOM 475 CB ILE A 30 36.000 31.315 15.184 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.706 31.232 14.366 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.746 32.142 16.442 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.723 30.287 15.058 1.00 0.00 C ATOM 0 H ILE A 30 36.970 30.170 13.280 1.00 0.00 H new ATOM 0 HA ILE A 30 36.713 32.861 13.848 1.00 0.00 H new ATOM 0 HB ILE A 30 36.321 30.313 15.470 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.264 32.223 14.264 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.922 30.875 13.359 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.963 31.670 17.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.662 32.200 17.030 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.432 33.147 16.160 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.803 30.229 14.476 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.166 29.294 15.136 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.497 30.663 16.056 1.00 0.00 H new ATOM 490 N GLN A 31 39.113 31.457 15.617 1.00 0.00 N ATOM 491 CA GLN A 31 40.258 31.772 16.470 1.00 0.00 C ATOM 492 C GLN A 31 41.175 32.775 15.778 1.00 0.00 C ATOM 493 O GLN A 31 41.422 33.868 16.288 1.00 0.00 O ATOM 494 CB GLN A 31 41.044 30.498 16.788 1.00 0.00 C ATOM 495 CG GLN A 31 40.182 29.559 17.635 1.00 0.00 C ATOM 496 CD GLN A 31 40.786 28.160 17.647 1.00 0.00 C ATOM 497 OE1 GLN A 31 40.279 27.258 16.981 1.00 0.00 O ATOM 498 NE2 GLN A 31 41.846 27.922 18.371 1.00 0.00 N ATOM 0 H GLN A 31 39.029 30.473 15.361 1.00 0.00 H new ATOM 0 HA GLN A 31 39.887 32.208 17.397 1.00 0.00 H new ATOM 0 HB2 GLN A 31 41.340 30.001 15.864 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.960 30.748 17.323 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.108 29.940 18.653 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.169 29.523 17.234 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.265 28.670 18.923 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.255 26.988 18.385 1.00 0.00 H new ATOM 507 N ASP A 32 41.684 32.380 14.627 1.00 0.00 N ATOM 508 CA ASP A 32 42.591 33.233 13.869 1.00 0.00 C ATOM 509 C ASP A 32 42.029 34.648 13.690 1.00 0.00 C ATOM 510 O ASP A 32 42.780 35.622 13.724 1.00 0.00 O ATOM 511 CB ASP A 32 42.867 32.609 12.498 1.00 0.00 C ATOM 512 CG ASP A 32 43.747 31.371 12.656 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.573 31.365 13.554 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.582 30.447 11.877 1.00 0.00 O ATOM 0 H ASP A 32 41.488 31.478 14.194 1.00 0.00 H new ATOM 0 HA ASP A 32 43.520 33.313 14.434 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.927 32.338 12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.359 33.335 11.851 1.00 0.00 H new ATOM 519 N LYS A 33 40.718 34.762 13.465 1.00 0.00 N ATOM 520 CA LYS A 33 40.103 36.076 13.248 1.00 0.00 C ATOM 521 C LYS A 33 39.880 36.873 14.541 1.00 0.00 C ATOM 522 O LYS A 33 40.178 38.065 14.587 1.00 0.00 O ATOM 523 CB LYS A 33 38.761 35.916 12.540 1.00 0.00 C ATOM 524 CG LYS A 33 38.953 35.233 11.185 1.00 0.00 C ATOM 525 CD LYS A 33 37.582 34.895 10.592 1.00 0.00 C ATOM 526 CE LYS A 33 37.735 34.504 9.120 1.00 0.00 C ATOM 527 NZ LYS A 33 36.390 34.246 8.530 1.00 0.00 N ATOM 0 H LYS A 33 40.070 33.975 13.428 1.00 0.00 H new ATOM 0 HA LYS A 33 40.809 36.637 12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.084 35.327 13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.297 36.893 12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.503 35.888 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.545 34.326 11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.126 34.077 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.915 35.752 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.237 35.301 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.359 33.614 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.380 34.559 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.181 33.228 8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.669 34.771 9.066 1.00 0.00 H new ATOM 541 N GLU A 34 39.308 36.238 15.573 1.00 0.00 N ATOM 542 CA GLU A 34 39.006 36.950 16.830 1.00 0.00 C ATOM 543 C GLU A 34 39.955 36.579 17.970 1.00 0.00 C ATOM 544 O GLU A 34 39.781 37.046 19.092 1.00 0.00 O ATOM 545 CB GLU A 34 37.572 36.632 17.267 1.00 0.00 C ATOM 546 CG GLU A 34 36.604 36.891 16.111 1.00 0.00 C ATOM 547 CD GLU A 34 35.167 36.695 16.583 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.705 35.566 16.560 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.549 37.676 16.962 1.00 0.00 O ATOM 0 H GLU A 34 39.048 35.252 15.568 1.00 0.00 H new ATOM 0 HA GLU A 34 39.132 38.013 16.626 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.502 35.592 17.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.300 37.247 18.125 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.737 37.905 15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.820 36.213 15.285 1.00 0.00 H new ATOM 556 N GLY A 35 40.982 35.792 17.690 1.00 0.00 N ATOM 557 CA GLY A 35 41.948 35.437 18.725 1.00 0.00 C ATOM 558 C GLY A 35 41.287 34.819 19.960 1.00 0.00 C ATOM 559 O GLY A 35 41.905 34.760 21.019 1.00 0.00 O ATOM 0 H GLY A 35 41.169 35.391 16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.672 34.733 18.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.502 36.328 19.021 1.00 0.00 H new ATOM 563 N ILE A 36 40.040 34.368 19.827 1.00 0.00 N ATOM 564 CA ILE A 36 39.326 33.763 20.946 1.00 0.00 C ATOM 565 C ILE A 36 39.698 32.277 21.096 1.00 0.00 C ATOM 566 O ILE A 36 39.357 31.477 20.228 1.00 0.00 O ATOM 567 CB ILE A 36 37.826 33.879 20.693 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.464 35.362 20.642 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.061 33.194 21.829 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.983 35.523 20.333 1.00 0.00 C ATOM 0 H ILE A 36 39.507 34.411 18.958 1.00 0.00 H new ATOM 0 HA ILE A 36 39.603 34.284 21.863 1.00 0.00 H new ATOM 0 HB ILE A 36 37.561 33.397 19.752 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.699 35.836 21.595 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.060 35.865 19.880 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.989 33.277 21.648 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.341 32.142 21.873 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.307 33.675 22.776 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.732 36.583 20.298 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.761 35.065 19.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.394 35.036 21.110 1.00 0.00 H new ATOM 582 N PRO A 37 40.364 31.874 22.165 1.00 0.00 N ATOM 583 CA PRO A 37 40.733 30.434 22.374 1.00 0.00 C ATOM 584 C PRO A 37 39.537 29.500 22.139 1.00 0.00 C ATOM 585 O PRO A 37 38.387 29.933 22.206 1.00 0.00 O ATOM 586 CB PRO A 37 41.188 30.397 23.839 1.00 0.00 C ATOM 587 CG PRO A 37 41.714 31.767 24.107 1.00 0.00 C ATOM 588 CD PRO A 37 40.848 32.718 23.280 1.00 0.00 C ATOM 0 HA PRO A 37 41.498 30.090 21.678 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.360 30.154 24.505 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.956 29.640 23.996 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.654 32.008 25.168 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.763 31.845 23.821 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.021 33.119 23.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.423 33.570 22.917 1.00 0.00 H new ATOM 596 N PRO A 38 39.780 28.238 21.861 1.00 0.00 N ATOM 597 CA PRO A 38 38.689 27.243 21.609 1.00 0.00 C ATOM 598 C PRO A 38 37.914 26.875 22.876 1.00 0.00 C ATOM 599 O PRO A 38 36.683 26.868 22.877 1.00 0.00 O ATOM 600 CB PRO A 38 39.438 26.031 21.041 1.00 0.00 C ATOM 601 CG PRO A 38 40.794 26.120 21.649 1.00 0.00 C ATOM 602 CD PRO A 38 41.111 27.613 21.757 1.00 0.00 C ATOM 0 HA PRO A 38 37.926 27.636 20.937 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.943 25.097 21.307 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.487 26.067 19.953 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.814 25.645 22.630 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.533 25.608 21.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.727 27.831 22.630 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.657 27.972 20.884 1.00 0.00 H new ATOM 610 N ASP A 39 38.636 26.558 23.945 1.00 0.00 N ATOM 611 CA ASP A 39 37.992 26.177 25.200 1.00 0.00 C ATOM 612 C ASP A 39 37.183 27.335 25.771 1.00 0.00 C ATOM 613 O ASP A 39 36.292 27.133 26.597 1.00 0.00 O ATOM 614 CB ASP A 39 39.045 25.737 26.220 1.00 0.00 C ATOM 615 CG ASP A 39 39.653 24.403 25.800 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.937 23.602 25.221 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.828 24.202 26.062 1.00 0.00 O ATOM 0 H ASP A 39 39.656 26.556 23.970 1.00 0.00 H new ATOM 0 HA ASP A 39 37.316 25.347 24.994 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.826 26.493 26.298 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.591 25.645 27.207 1.00 0.00 H new ATOM 622 N GLN A 40 37.513 28.547 25.346 1.00 0.00 N ATOM 623 CA GLN A 40 36.823 29.733 25.848 1.00 0.00 C ATOM 624 C GLN A 40 35.480 29.935 25.155 1.00 0.00 C ATOM 625 O GLN A 40 34.593 30.591 25.702 1.00 0.00 O ATOM 626 CB GLN A 40 37.686 30.977 25.630 1.00 0.00 C ATOM 627 CG GLN A 40 38.884 30.936 26.582 1.00 0.00 C ATOM 628 CD GLN A 40 38.442 31.290 27.998 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.302 30.407 28.845 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.214 32.538 28.309 1.00 0.00 N ATOM 0 H GLN A 40 38.246 28.737 24.662 1.00 0.00 H new ATOM 0 HA GLN A 40 36.647 29.581 26.913 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.030 31.018 24.596 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.097 31.877 25.807 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.333 29.943 26.571 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.649 31.636 26.246 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.330 33.268 27.606 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.920 32.782 29.255 1.00 0.00 H new ATOM 639 N GLN A 41 35.325 29.381 23.951 1.00 0.00 N ATOM 640 CA GLN A 41 34.081 29.526 23.198 1.00 0.00 C ATOM 641 C GLN A 41 33.347 28.194 23.057 1.00 0.00 C ATOM 642 O GLN A 41 33.957 27.124 23.055 1.00 0.00 O ATOM 643 CB GLN A 41 34.390 30.077 21.807 1.00 0.00 C ATOM 644 CG GLN A 41 35.380 29.155 21.094 1.00 0.00 C ATOM 645 CD GLN A 41 35.767 29.750 19.743 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.680 30.963 19.552 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.190 28.965 18.791 1.00 0.00 N ATOM 0 H GLN A 41 36.043 28.831 23.479 1.00 0.00 H new ATOM 0 HA GLN A 41 33.436 30.213 23.746 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.472 30.159 21.226 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.807 31.081 21.888 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.270 29.018 21.709 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.935 28.170 20.953 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.261 27.960 18.952 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.450 29.356 17.885 1.00 0.00 H new ATOM 656 N ARG A 42 32.028 28.289 22.912 1.00 0.00 N ATOM 657 CA ARG A 42 31.164 27.124 22.737 1.00 0.00 C ATOM 658 C ARG A 42 30.290 27.375 21.517 1.00 0.00 C ATOM 659 O ARG A 42 29.670 28.434 21.407 1.00 0.00 O ATOM 660 CB ARG A 42 30.280 26.922 23.975 1.00 0.00 C ATOM 661 CG ARG A 42 31.157 26.698 25.230 1.00 0.00 C ATOM 662 CD ARG A 42 30.471 25.710 26.176 1.00 0.00 C ATOM 663 NE ARG A 42 29.130 26.177 26.517 1.00 0.00 N ATOM 664 CZ ARG A 42 28.288 25.413 27.207 1.00 0.00 C ATOM 665 NH1 ARG A 42 27.098 25.858 27.506 1.00 0.00 N ATOM 666 NH2 ARG A 42 28.651 24.217 27.584 1.00 0.00 N ATOM 0 H ARG A 42 31.527 29.177 22.912 1.00 0.00 H new ATOM 0 HA ARG A 42 31.768 26.227 22.602 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.641 27.793 24.120 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.622 26.066 23.825 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.135 26.315 24.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.326 27.646 25.740 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.412 24.728 25.706 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.064 25.594 27.083 1.00 0.00 H new ATOM 0 HE ARG A 42 28.834 27.107 26.220 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.814 26.792 27.210 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.452 25.272 28.035 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.580 23.868 27.349 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.005 23.631 28.113 1.00 0.00 H new ATOM 680 N LEU A 43 30.252 26.427 20.587 1.00 0.00 N ATOM 681 CA LEU A 43 29.457 26.605 19.372 1.00 0.00 C ATOM 682 C LEU A 43 28.067 26.009 19.520 1.00 0.00 C ATOM 683 O LEU A 43 27.908 24.802 19.732 1.00 0.00 O ATOM 684 CB LEU A 43 30.157 25.945 18.190 1.00 0.00 C ATOM 685 CG LEU A 43 31.630 26.359 18.117 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.175 25.985 16.743 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.776 27.866 18.324 1.00 0.00 C ATOM 0 H LEU A 43 30.753 25.540 20.646 1.00 0.00 H new ATOM 0 HA LEU A 43 29.357 27.677 19.200 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.085 24.861 18.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.652 26.222 17.264 1.00 0.00 H new ATOM 0 HG LEU A 43 32.186 25.845 18.901 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.224 26.274 16.677 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.085 24.909 16.597 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.606 26.505 15.972 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.829 28.140 18.269 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.222 28.395 17.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.381 28.139 19.303 1.00 0.00 H new ATOM 699 N ILE A 44 27.060 26.873 19.398 1.00 0.00 N ATOM 700 CA ILE A 44 25.659 26.454 19.515 1.00 0.00 C ATOM 701 C ILE A 44 24.916 26.583 18.181 1.00 0.00 C ATOM 702 O ILE A 44 24.839 27.668 17.596 1.00 0.00 O ATOM 703 CB ILE A 44 24.947 27.320 20.559 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.770 27.378 21.856 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.560 26.741 20.856 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.072 25.966 22.371 1.00 0.00 C ATOM 0 H ILE A 44 27.186 27.869 19.218 1.00 0.00 H new ATOM 0 HA ILE A 44 25.653 25.406 19.816 1.00 0.00 H new ATOM 0 HB ILE A 44 24.841 28.330 20.162 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.703 27.912 21.677 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.223 27.938 22.615 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.058 27.361 21.599 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.969 26.723 19.940 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.664 25.726 21.241 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.655 26.031 23.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.136 25.444 22.571 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.639 25.418 21.619 1.00 0.00 H new ATOM 718 N PHE A 45 24.354 25.464 17.720 1.00 0.00 N ATOM 719 CA PHE A 45 23.594 25.436 16.471 1.00 0.00 C ATOM 720 C PHE A 45 22.415 24.480 16.613 1.00 0.00 C ATOM 721 O PHE A 45 22.588 23.320 16.980 1.00 0.00 O ATOM 722 CB PHE A 45 24.487 24.969 15.324 1.00 0.00 C ATOM 723 CG PHE A 45 23.774 25.148 14.008 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.030 26.272 13.217 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.864 24.180 13.577 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.376 26.427 11.988 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.207 24.334 12.349 1.00 0.00 C ATOM 728 CZ PHE A 45 22.463 25.458 11.554 1.00 0.00 C ATOM 0 H PHE A 45 24.412 24.563 18.195 1.00 0.00 H new ATOM 0 HA PHE A 45 23.230 26.441 16.256 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.418 25.537 15.323 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.753 23.921 15.463 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.732 27.021 13.553 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.667 23.313 14.190 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.576 27.294 11.375 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.503 23.586 12.016 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.957 25.577 10.607 1.00 0.00 H new ATOM 738 N ALA A 46 21.216 24.976 16.328 1.00 0.00 N ATOM 739 CA ALA A 46 20.017 24.152 16.435 1.00 0.00 C ATOM 740 C ALA A 46 19.884 23.558 17.838 1.00 0.00 C ATOM 741 O ALA A 46 19.353 22.461 18.009 1.00 0.00 O ATOM 742 CB ALA A 46 20.070 23.025 15.404 1.00 0.00 C ATOM 0 H ALA A 46 21.049 25.935 16.024 1.00 0.00 H new ATOM 0 HA ALA A 46 19.150 24.784 16.244 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.172 22.412 15.488 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.126 23.451 14.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.949 22.407 15.586 1.00 0.00 H new ATOM 748 N GLY A 47 20.358 24.296 18.837 1.00 0.00 N ATOM 749 CA GLY A 47 20.275 23.844 20.225 1.00 0.00 C ATOM 750 C GLY A 47 21.176 22.637 20.494 1.00 0.00 C ATOM 751 O GLY A 47 21.022 21.960 21.511 1.00 0.00 O ATOM 0 H GLY A 47 20.802 25.206 18.714 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.557 24.661 20.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.243 23.584 20.460 1.00 0.00 H new ATOM 755 N LYS A 48 22.127 22.375 19.592 1.00 0.00 N ATOM 756 CA LYS A 48 23.055 21.246 19.759 1.00 0.00 C ATOM 757 C LYS A 48 24.498 21.724 19.704 1.00 0.00 C ATOM 758 O LYS A 48 24.877 22.449 18.782 1.00 0.00 O ATOM 759 CB LYS A 48 22.841 20.218 18.653 1.00 0.00 C ATOM 760 CG LYS A 48 21.369 19.788 18.607 1.00 0.00 C ATOM 761 CD LYS A 48 21.083 18.787 19.731 1.00 0.00 C ATOM 762 CE LYS A 48 19.706 18.163 19.520 1.00 0.00 C ATOM 763 NZ LYS A 48 19.735 17.303 18.305 1.00 0.00 N ATOM 0 H LYS A 48 22.276 22.923 18.745 1.00 0.00 H new ATOM 0 HA LYS A 48 22.858 20.793 20.731 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.134 20.641 17.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.476 19.349 18.826 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.723 20.660 18.711 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.143 19.337 17.641 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.848 18.010 19.744 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.122 19.289 20.698 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.425 17.571 20.391 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.954 18.944 19.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.009 16.563 18.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.545 17.884 17.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.672 16.860 18.215 1.00 0.00 H new ATOM 777 N GLN A 49 25.317 21.309 20.671 1.00 0.00 N ATOM 778 CA GLN A 49 26.714 21.699 20.677 1.00 0.00 C ATOM 779 C GLN A 49 27.479 20.915 19.624 1.00 0.00 C ATOM 780 O GLN A 49 27.348 19.694 19.530 1.00 0.00 O ATOM 781 CB GLN A 49 27.330 21.450 22.047 1.00 0.00 C ATOM 782 CG GLN A 49 26.723 22.415 23.063 1.00 0.00 C ATOM 783 CD GLN A 49 27.257 22.110 24.459 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.529 21.592 25.305 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.495 22.403 24.752 1.00 0.00 N ATOM 0 H GLN A 49 25.036 20.711 21.448 1.00 0.00 H new ATOM 0 HA GLN A 49 26.776 22.763 20.450 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.151 20.420 22.356 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.411 21.586 22.001 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.964 23.442 22.789 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.636 22.329 23.054 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.097 22.832 24.050 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.860 22.203 25.683 1.00 0.00 H new ATOM 794 N LEU A 50 28.258 21.618 18.817 1.00 0.00 N ATOM 795 CA LEU A 50 29.011 20.963 17.758 1.00 0.00 C ATOM 796 C LEU A 50 30.134 20.107 18.338 1.00 0.00 C ATOM 797 O LEU A 50 30.893 20.554 19.198 1.00 0.00 O ATOM 798 CB LEU A 50 29.577 22.012 16.801 1.00 0.00 C ATOM 799 CG LEU A 50 28.446 22.583 15.931 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.438 23.338 16.806 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.037 23.542 14.893 1.00 0.00 C ATOM 0 H LEU A 50 28.385 22.629 18.873 1.00 0.00 H new ATOM 0 HA LEU A 50 28.338 20.305 17.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.055 22.813 17.365 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.345 21.565 16.169 1.00 0.00 H new ATOM 0 HG LEU A 50 27.936 21.762 15.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.641 23.739 16.180 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.013 22.656 17.542 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.943 24.157 17.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.236 23.948 14.275 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.551 24.357 15.402 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.745 23.004 14.262 1.00 0.00 H new ATOM 813 N GLU A 51 30.226 18.869 17.852 1.00 0.00 N ATOM 814 CA GLU A 51 31.239 17.931 18.306 1.00 0.00 C ATOM 815 C GLU A 51 32.625 18.316 17.789 1.00 0.00 C ATOM 816 O GLU A 51 32.793 18.646 16.613 1.00 0.00 O ATOM 817 CB GLU A 51 30.876 16.525 17.832 1.00 0.00 C ATOM 818 CG GLU A 51 31.643 15.494 18.651 1.00 0.00 C ATOM 819 CD GLU A 51 31.375 14.094 18.107 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.575 13.980 17.193 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.969 13.158 18.614 1.00 0.00 O ATOM 0 H GLU A 51 29.602 18.495 17.137 1.00 0.00 H new ATOM 0 HA GLU A 51 31.271 17.957 19.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.803 16.361 17.936 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.115 16.414 16.774 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.711 15.709 18.615 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.342 15.551 19.697 1.00 0.00 H new ATOM 828 N ASP A 52 33.609 18.272 18.680 1.00 0.00 N ATOM 829 CA ASP A 52 34.976 18.622 18.335 1.00 0.00 C ATOM 830 C ASP A 52 35.573 17.712 17.252 1.00 0.00 C ATOM 831 O ASP A 52 36.793 17.675 17.093 1.00 0.00 O ATOM 832 CB ASP A 52 35.856 18.537 19.586 1.00 0.00 C ATOM 833 CG ASP A 52 35.289 19.427 20.685 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.223 20.627 20.471 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.929 18.898 21.725 1.00 0.00 O ATOM 0 H ASP A 52 33.481 17.995 19.653 1.00 0.00 H new ATOM 0 HA ASP A 52 34.951 19.636 17.937 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.909 17.505 19.934 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.874 18.845 19.346 1.00 0.00 H new ATOM 840 N GLY A 53 34.741 16.973 16.506 1.00 0.00 N ATOM 841 CA GLY A 53 35.291 16.088 15.470 1.00 0.00 C ATOM 842 C GLY A 53 34.273 15.692 14.395 1.00 0.00 C ATOM 843 O GLY A 53 34.478 14.698 13.695 1.00 0.00 O ATOM 0 H GLY A 53 33.725 16.967 16.593 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.136 16.584 14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.677 15.185 15.943 1.00 0.00 H new ATOM 847 N ARG A 54 33.191 16.461 14.239 1.00 0.00 N ATOM 848 CA ARG A 54 32.179 16.144 13.212 1.00 0.00 C ATOM 849 C ARG A 54 32.303 17.080 12.009 1.00 0.00 C ATOM 850 O ARG A 54 33.018 18.080 12.054 1.00 0.00 O ATOM 851 CB ARG A 54 30.763 16.252 13.807 1.00 0.00 C ATOM 852 CG ARG A 54 30.412 14.964 14.582 1.00 0.00 C ATOM 853 CD ARG A 54 29.807 13.912 13.637 1.00 0.00 C ATOM 854 NE ARG A 54 29.761 12.613 14.300 1.00 0.00 N ATOM 855 CZ ARG A 54 29.259 11.545 13.689 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.235 10.393 14.302 1.00 0.00 N ATOM 857 NH2 ARG A 54 28.784 11.649 12.478 1.00 0.00 N ATOM 0 H ARG A 54 32.990 17.292 14.795 1.00 0.00 H new ATOM 0 HA ARG A 54 32.353 15.122 12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.705 17.113 14.473 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.037 16.415 13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.308 14.563 15.056 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.705 15.194 15.379 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.803 14.213 13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.402 13.844 12.726 1.00 0.00 H new ATOM 0 HE ARG A 54 30.121 12.523 15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.602 10.312 15.250 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.850 9.573 13.833 1.00 0.00 H new ATOM 0 HH21 ARG A 54 28.798 12.550 12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 54 28.399 10.829 12.009 1.00 0.00 H new ATOM 871 N THR A 55 31.584 16.737 10.937 1.00 0.00 N ATOM 872 CA THR A 55 31.584 17.537 9.711 1.00 0.00 C ATOM 873 C THR A 55 30.309 18.363 9.622 1.00 0.00 C ATOM 874 O THR A 55 29.248 17.945 10.101 1.00 0.00 O ATOM 875 CB THR A 55 31.675 16.615 8.488 1.00 0.00 C ATOM 876 OG1 THR A 55 30.666 15.617 8.575 1.00 0.00 O ATOM 877 CG2 THR A 55 33.054 15.948 8.448 1.00 0.00 C ATOM 0 H THR A 55 30.992 15.907 10.894 1.00 0.00 H new ATOM 0 HA THR A 55 32.445 18.205 9.731 1.00 0.00 H new ATOM 0 HB THR A 55 31.532 17.200 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.721 15.027 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.117 15.294 7.579 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.827 16.714 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.201 15.361 9.355 1.00 0.00 H new ATOM 885 N LEU A 56 30.399 19.530 8.990 1.00 0.00 N ATOM 886 CA LEU A 56 29.226 20.366 8.845 1.00 0.00 C ATOM 887 C LEU A 56 28.140 19.589 8.110 1.00 0.00 C ATOM 888 O LEU A 56 26.962 19.734 8.414 1.00 0.00 O ATOM 889 CB LEU A 56 29.578 21.647 8.086 1.00 0.00 C ATOM 890 CG LEU A 56 30.313 22.625 9.016 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.703 22.077 9.362 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.460 23.967 8.299 1.00 0.00 C ATOM 0 H LEU A 56 31.254 19.906 8.581 1.00 0.00 H new ATOM 0 HA LEU A 56 28.858 20.647 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.205 21.409 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.671 22.112 7.700 1.00 0.00 H new ATOM 0 HG LEU A 56 29.744 22.751 9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.216 22.777 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.600 21.115 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.282 21.949 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.980 24.671 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.032 23.829 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.473 24.359 8.055 1.00 0.00 H new ATOM 904 N SER A 57 28.535 18.778 7.124 1.00 0.00 N ATOM 905 CA SER A 57 27.571 18.003 6.347 1.00 0.00 C ATOM 906 C SER A 57 26.582 17.279 7.251 1.00 0.00 C ATOM 907 O SER A 57 25.385 17.204 6.946 1.00 0.00 O ATOM 908 CB SER A 57 28.308 16.983 5.480 1.00 0.00 C ATOM 909 OG SER A 57 27.359 16.154 4.822 1.00 0.00 O ATOM 0 H SER A 57 29.508 18.643 6.849 1.00 0.00 H new ATOM 0 HA SER A 57 27.014 18.695 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.932 17.495 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.972 16.377 6.096 1.00 0.00 H new ATOM 0 HG SER A 57 27.828 15.499 4.264 1.00 0.00 H new ATOM 915 N ASP A 58 27.074 16.767 8.375 1.00 0.00 N ATOM 916 CA ASP A 58 26.201 16.083 9.315 1.00 0.00 C ATOM 917 C ASP A 58 25.192 17.082 9.856 1.00 0.00 C ATOM 918 O ASP A 58 24.013 16.775 10.048 1.00 0.00 O ATOM 919 CB ASP A 58 27.017 15.492 10.472 1.00 0.00 C ATOM 920 CG ASP A 58 27.861 14.318 9.982 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.645 13.881 8.864 1.00 0.00 O ATOM 922 OD2 ASP A 58 28.711 13.870 10.737 1.00 0.00 O ATOM 0 H ASP A 58 28.055 16.812 8.652 1.00 0.00 H new ATOM 0 HA ASP A 58 25.687 15.268 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.663 16.259 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 58 26.347 15.161 11.266 1.00 0.00 H new ATOM 927 N TYR A 59 25.680 18.295 10.085 1.00 0.00 N ATOM 928 CA TYR A 59 24.845 19.374 10.603 1.00 0.00 C ATOM 929 C TYR A 59 24.057 20.066 9.480 1.00 0.00 C ATOM 930 O TYR A 59 23.185 20.889 9.753 1.00 0.00 O ATOM 931 CB TYR A 59 25.736 20.396 11.313 1.00 0.00 C ATOM 932 CG TYR A 59 26.156 19.862 12.670 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.490 19.509 12.907 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.204 19.723 13.690 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.872 19.016 14.160 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.589 19.231 14.944 1.00 0.00 C ATOM 937 CZ TYR A 59 26.922 18.877 15.178 1.00 0.00 C ATOM 938 OH TYR A 59 27.298 18.389 16.413 1.00 0.00 O ATOM 0 H TYR A 59 26.652 18.557 9.920 1.00 0.00 H new ATOM 0 HA TYR A 59 24.124 18.949 11.302 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.617 20.606 10.707 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.200 21.337 11.433 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.225 19.617 12.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.175 19.995 13.509 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.901 18.743 14.341 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.856 19.125 15.730 1.00 0.00 H new ATOM 0 HH TYR A 59 26.517 18.357 17.004 1.00 0.00 H new ATOM 948 N ASN A 60 24.355 19.729 8.224 1.00 0.00 N ATOM 949 CA ASN A 60 23.644 20.337 7.095 1.00 0.00 C ATOM 950 C ASN A 60 22.261 19.715 6.941 1.00 0.00 C ATOM 951 O ASN A 60 21.257 20.415 6.804 1.00 0.00 O ATOM 952 CB ASN A 60 24.435 20.156 5.796 1.00 0.00 C ATOM 953 CG ASN A 60 23.754 20.927 4.667 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.537 20.837 4.500 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.468 21.685 3.880 1.00 0.00 N ATOM 0 H ASN A 60 25.071 19.051 7.964 1.00 0.00 H new ATOM 0 HA ASN A 60 23.538 21.403 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.457 20.512 5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.497 19.098 5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.018 22.204 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.476 21.759 4.019 1.00 0.00 H new ATOM 962 N ILE A 61 22.205 18.393 6.985 1.00 0.00 N ATOM 963 CA ILE A 61 20.916 17.705 6.865 1.00 0.00 C ATOM 964 C ILE A 61 19.926 18.335 7.845 1.00 0.00 C ATOM 965 O ILE A 61 18.788 18.648 7.491 1.00 0.00 O ATOM 966 CB ILE A 61 21.087 16.206 7.164 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.144 16.028 8.258 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.540 15.475 5.898 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.085 14.609 8.812 1.00 0.00 C ATOM 0 H ILE A 61 23.013 17.781 7.100 1.00 0.00 H new ATOM 0 HA ILE A 61 20.536 17.808 5.849 1.00 0.00 H new ATOM 0 HB ILE A 61 20.136 15.792 7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.136 16.228 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.975 16.748 9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.660 14.413 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.792 15.604 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.491 15.886 5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.840 14.490 9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.097 14.424 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.276 13.897 8.009 1.00 0.00 H new ATOM 981 N GLN A 62 20.383 18.504 9.080 1.00 0.00 N ATOM 982 CA GLN A 62 19.559 19.089 10.125 1.00 0.00 C ATOM 983 C GLN A 62 19.480 20.605 9.936 1.00 0.00 C ATOM 984 O GLN A 62 19.588 21.361 10.900 1.00 0.00 O ATOM 985 CB GLN A 62 20.166 18.773 11.497 1.00 0.00 C ATOM 986 CG GLN A 62 19.982 17.285 11.816 1.00 0.00 C ATOM 987 CD GLN A 62 20.757 16.924 13.079 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.949 17.212 13.180 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.148 16.308 14.057 1.00 0.00 N ATOM 0 H GLN A 62 21.322 18.243 9.380 1.00 0.00 H new ATOM 0 HA GLN A 62 18.555 18.668 10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.226 19.027 11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.688 19.381 12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.924 17.062 11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.331 16.679 10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.160 16.070 13.973 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.661 16.066 14.905 1.00 0.00 H new ATOM 998 N LYS A 63 19.279 21.045 8.687 1.00 0.00 N ATOM 999 CA LYS A 63 19.169 22.475 8.390 1.00 0.00 C ATOM 1000 C LYS A 63 17.782 23.024 8.751 1.00 0.00 C ATOM 1001 O LYS A 63 17.073 23.545 7.885 1.00 0.00 O ATOM 1002 CB LYS A 63 19.463 22.741 6.905 1.00 0.00 C ATOM 1003 CG LYS A 63 18.635 21.794 6.028 1.00 0.00 C ATOM 1004 CD LYS A 63 18.611 22.306 4.584 1.00 0.00 C ATOM 1005 CE LYS A 63 18.038 21.219 3.671 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.971 21.727 2.271 1.00 0.00 N ATOM 0 H LYS A 63 19.190 20.436 7.874 1.00 0.00 H new ATOM 0 HA LYS A 63 19.908 22.992 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.228 23.776 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.525 22.599 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.060 20.791 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.618 21.722 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.006 23.210 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.618 22.572 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.662 20.326 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.044 20.930 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.582 20.988 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.358 22.567 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.926 21.981 1.948 1.00 0.00 H new ATOM 1020 N GLU A 64 17.403 22.908 10.023 1.00 0.00 N ATOM 1021 CA GLU A 64 16.098 23.399 10.471 1.00 0.00 C ATOM 1022 C GLU A 64 15.945 24.870 10.103 1.00 0.00 C ATOM 1023 O GLU A 64 14.855 25.327 9.761 1.00 0.00 O ATOM 1024 CB GLU A 64 15.983 23.247 11.997 1.00 0.00 C ATOM 1025 CG GLU A 64 15.983 21.764 12.376 1.00 0.00 C ATOM 1026 CD GLU A 64 15.831 21.611 13.888 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.907 22.190 14.434 1.00 0.00 O ATOM 1028 OE2 GLU A 64 16.641 20.914 14.478 1.00 0.00 O ATOM 0 H GLU A 64 17.973 22.484 10.755 1.00 0.00 H new ATOM 0 HA GLU A 64 15.315 22.818 9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.814 23.756 12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.067 23.721 12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.168 21.250 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.911 21.296 12.046 1.00 0.00 H new ATOM 1049 N THR A 66 18.753 28.506 8.907 1.00 0.00 N ATOM 1050 CA THR A 66 19.854 28.865 8.015 1.00 0.00 C ATOM 1051 C THR A 66 21.171 28.480 8.674 1.00 0.00 C ATOM 1052 O THR A 66 21.176 27.998 9.809 1.00 0.00 O ATOM 1053 CB THR A 66 19.829 30.376 7.728 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.376 31.069 8.884 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.884 30.649 6.560 1.00 0.00 C ATOM 0 HA THR A 66 19.748 28.331 7.070 1.00 0.00 H new ATOM 0 HB THR A 66 20.831 30.720 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.141 31.477 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.862 31.719 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.234 30.115 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.881 30.309 6.817 1.00 0.00 H new ATOM 1063 N LEU A 67 22.289 28.668 7.972 1.00 0.00 N ATOM 1064 CA LEU A 67 23.592 28.301 8.511 1.00 0.00 C ATOM 1065 C LEU A 67 24.105 29.367 9.475 1.00 0.00 C ATOM 1066 O LEU A 67 25.296 29.692 9.497 1.00 0.00 O ATOM 1067 CB LEU A 67 24.587 28.132 7.353 1.00 0.00 C ATOM 1068 CG LEU A 67 23.923 27.369 6.193 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.933 27.151 5.059 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.423 26.009 6.690 1.00 0.00 C ATOM 0 H LEU A 67 22.316 29.070 7.035 1.00 0.00 H new ATOM 0 HA LEU A 67 23.492 27.364 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.926 29.109 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.469 27.591 7.697 1.00 0.00 H new ATOM 0 HG LEU A 67 23.084 27.956 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.453 26.610 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.287 28.116 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.778 26.571 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.953 25.471 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.264 25.429 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.695 26.158 7.488 1.00 0.00 H new ATOM 1082 N HIS A 68 23.186 29.896 10.268 1.00 0.00 N ATOM 1083 CA HIS A 68 23.526 30.911 11.254 1.00 0.00 C ATOM 1084 C HIS A 68 24.061 30.235 12.504 1.00 0.00 C ATOM 1085 O HIS A 68 23.408 29.363 13.078 1.00 0.00 O ATOM 1086 CB HIS A 68 22.284 31.734 11.608 1.00 0.00 C ATOM 1087 CG HIS A 68 21.939 32.638 10.458 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.947 32.196 9.144 1.00 0.00 N ATOM 1089 CD2 HIS A 68 21.574 33.960 10.407 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.598 33.235 8.365 1.00 0.00 C ATOM 1091 NE2 HIS A 68 21.360 34.336 9.083 1.00 0.00 N ATOM 0 H HIS A 68 22.199 29.640 10.248 1.00 0.00 H new ATOM 0 HA HIS A 68 24.285 31.575 10.841 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.446 31.072 11.828 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.469 32.324 12.506 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.469 34.610 11.263 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.520 33.185 7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.082 35.254 8.736 1.00 0.00 H new ATOM 1100 N LEU A 69 25.258 30.633 12.913 1.00 0.00 N ATOM 1101 CA LEU A 69 25.902 30.061 14.089 1.00 0.00 C ATOM 1102 C LEU A 69 25.951 31.081 15.216 1.00 0.00 C ATOM 1103 O LEU A 69 26.282 32.246 14.990 1.00 0.00 O ATOM 1104 CB LEU A 69 27.320 29.625 13.702 1.00 0.00 C ATOM 1105 CG LEU A 69 28.101 29.138 14.931 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.313 28.033 15.650 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.458 28.583 14.477 1.00 0.00 C ATOM 0 H LEU A 69 25.806 31.354 12.445 1.00 0.00 H new ATOM 0 HA LEU A 69 25.333 29.201 14.441 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.269 28.828 12.960 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.847 30.459 13.239 1.00 0.00 H new ATOM 0 HG LEU A 69 28.251 29.972 15.617 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.874 27.693 16.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.348 28.424 15.971 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.157 27.196 14.970 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.018 28.235 15.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.300 27.751 13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.022 29.368 13.972 1.00 0.00 H new ATOM 1119 N VAL A 70 25.635 30.636 16.430 1.00 0.00 N ATOM 1120 CA VAL A 70 25.669 31.514 17.592 1.00 0.00 C ATOM 1121 C VAL A 70 26.907 31.219 18.422 1.00 0.00 C ATOM 1122 O VAL A 70 27.121 30.086 18.860 1.00 0.00 O ATOM 1123 CB VAL A 70 24.406 31.316 18.436 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.539 32.073 19.762 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.202 31.860 17.667 1.00 0.00 C ATOM 0 H VAL A 70 25.354 29.677 16.632 1.00 0.00 H new ATOM 0 HA VAL A 70 25.706 32.550 17.257 1.00 0.00 H new ATOM 0 HB VAL A 70 24.272 30.254 18.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.637 31.927 20.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.401 31.695 20.312 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.674 33.136 19.562 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.299 31.723 18.261 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.347 32.922 17.467 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.101 31.324 16.723 1.00 0.00 H new ATOM 1135 N LEU A 71 27.724 32.245 18.638 1.00 0.00 N ATOM 1136 CA LEU A 71 28.948 32.091 19.418 1.00 0.00 C ATOM 1137 C LEU A 71 28.715 32.455 20.880 1.00 0.00 C ATOM 1138 O LEU A 71 28.354 33.587 21.204 1.00 0.00 O ATOM 1139 CB LEU A 71 30.057 32.977 18.840 1.00 0.00 C ATOM 1140 CG LEU A 71 31.422 32.547 19.413 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.934 31.286 18.695 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.434 33.683 19.222 1.00 0.00 C ATOM 0 H LEU A 71 27.562 33.188 18.286 1.00 0.00 H new ATOM 0 HA LEU A 71 29.252 31.046 19.364 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.068 32.899 17.753 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.864 34.022 19.082 1.00 0.00 H new ATOM 0 HG LEU A 71 31.304 32.326 20.474 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.899 30.996 19.112 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.220 30.474 18.833 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.046 31.494 17.631 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.400 33.381 19.626 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.538 33.903 18.159 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.084 34.574 19.744 1.00 0.00 H new ATOM 1154 N ARG A 72 28.947 31.483 21.758 1.00 0.00 N ATOM 1155 CA ARG A 72 28.793 31.682 23.198 1.00 0.00 C ATOM 1156 C ARG A 72 30.172 31.850 23.833 1.00 0.00 C ATOM 1157 O ARG A 72 31.131 31.202 23.417 1.00 0.00 O ATOM 1158 CB ARG A 72 28.079 30.466 23.813 1.00 0.00 C ATOM 1159 CG ARG A 72 26.557 30.570 23.608 1.00 0.00 C ATOM 1160 CD ARG A 72 25.835 29.656 24.604 1.00 0.00 C ATOM 1161 NE ARG A 72 24.412 29.600 24.291 1.00 0.00 N ATOM 1162 CZ ARG A 72 23.599 30.604 24.608 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.329 30.532 24.317 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.072 31.660 25.212 1.00 0.00 N ATOM 0 H ARG A 72 29.244 30.543 21.496 1.00 0.00 H new ATOM 0 HA ARG A 72 28.197 32.576 23.384 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.451 29.549 23.355 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.305 30.405 24.878 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.232 31.601 23.745 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.298 30.287 22.588 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.263 28.654 24.567 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.978 30.026 25.619 1.00 0.00 H new ATOM 0 HE ARG A 72 24.034 28.777 23.821 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.960 29.706 23.846 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.706 31.302 24.560 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.065 31.715 25.441 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.449 32.430 25.455 1.00 0.00 H new