USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.13) USER MOD Single : A 7 THR OG1 : rot -78:sc= 1 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 21:sc= 0.397 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 25 ASN : amide:sc= 1.07 K(o=1.1,f=-0.036) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0254 (180deg=-0.292) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0266 (180deg=-0.333) USER MOD Single : A 40 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.028) USER MOD Single : A 41 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.6) 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 180:sc= 0 USER MOD Single : A 57 SER OG : rot 71:sc= 0.0654 USER MOD Single : A 59 TYR OH : rot 74:sc= 0 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=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.0527 (180deg=-0.494) USER MOD Single : A 68 HIS : no HD1:sc= -0.788 K(o=-0.79,f=0.0047) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.559 28.064 3.398 1.00 0.00 N ATOM 21 CA GLN A 2 26.344 29.251 3.861 1.00 0.00 C ATOM 22 C GLN A 2 25.744 29.803 5.155 1.00 0.00 C ATOM 23 O GLN A 2 24.546 29.797 5.352 1.00 0.00 O ATOM 24 CB GLN A 2 26.288 30.342 2.787 1.00 0.00 C ATOM 25 CG GLN A 2 26.954 29.839 1.506 1.00 0.00 C ATOM 26 CD GLN A 2 26.870 30.925 0.431 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.809 31.459 0.174 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.949 31.274 -0.212 1.00 0.00 N ATOM 0 HA GLN A 2 27.376 28.948 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.252 30.615 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.792 31.241 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.996 29.584 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.462 28.930 1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.839 30.825 0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.903 31.996 -0.931 1.00 0.00 H new ATOM 37 N ILE A 3 26.576 30.301 6.033 1.00 0.00 N ATOM 38 CA ILE A 3 26.079 30.883 7.317 1.00 0.00 C ATOM 39 C ILE A 3 26.899 32.137 7.627 1.00 0.00 C ATOM 40 O ILE A 3 27.949 32.348 7.056 1.00 0.00 O ATOM 41 CB ILE A 3 26.243 29.863 8.448 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.661 29.289 8.420 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.230 28.730 8.266 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.908 28.481 9.697 1.00 0.00 C ATOM 0 H ILE A 3 27.589 30.330 5.914 1.00 0.00 H new ATOM 0 HA ILE A 3 25.023 31.138 7.228 1.00 0.00 H new ATOM 0 HB ILE A 3 26.070 30.355 9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.791 28.654 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.390 30.095 8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.347 28.004 9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.220 29.138 8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.401 28.239 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.918 28.071 9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.795 29.130 10.566 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.187 27.666 9.757 1.00 0.00 H new ATOM 56 N PHE A 4 26.427 32.975 8.518 1.00 0.00 N ATOM 57 CA PHE A 4 27.175 34.226 8.862 1.00 0.00 C ATOM 58 C PHE A 4 27.488 34.240 10.357 1.00 0.00 C ATOM 59 O PHE A 4 26.653 33.920 11.174 1.00 0.00 O ATOM 60 CB PHE A 4 26.308 35.440 8.519 1.00 0.00 C ATOM 61 CG PHE A 4 26.019 35.455 7.036 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.089 34.557 6.495 1.00 0.00 C ATOM 63 CD2 PHE A 4 26.676 36.366 6.200 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.818 34.570 5.122 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.404 36.379 4.826 1.00 0.00 C ATOM 66 CZ PHE A 4 25.476 35.481 4.288 1.00 0.00 C ATOM 0 H PHE A 4 25.551 32.846 9.025 1.00 0.00 H new ATOM 0 HA PHE A 4 28.105 34.262 8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.375 35.403 9.081 1.00 0.00 H new ATOM 0 HB3 PHE A 4 26.819 36.358 8.809 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.581 33.854 7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.393 37.059 6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.101 33.877 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 4 26.911 37.082 4.182 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.267 35.491 3.228 1.00 0.00 H new ATOM 76 N VAL A 5 28.687 34.606 10.721 1.00 0.00 N ATOM 77 CA VAL A 5 29.060 34.646 12.169 1.00 0.00 C ATOM 78 C VAL A 5 29.144 36.104 12.618 1.00 0.00 C ATOM 79 O VAL A 5 29.995 36.851 12.176 1.00 0.00 O ATOM 80 CB VAL A 5 30.419 33.973 12.362 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.769 33.942 13.850 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.354 32.543 11.824 1.00 0.00 C ATOM 0 H VAL A 5 29.429 34.881 10.077 1.00 0.00 H new ATOM 0 HA VAL A 5 28.310 34.120 12.760 1.00 0.00 H new ATOM 0 HB VAL A 5 31.183 34.533 11.823 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.738 33.462 13.986 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.812 34.961 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.007 33.381 14.391 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.321 32.059 11.959 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.590 31.985 12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.104 32.564 10.763 1.00 0.00 H new ATOM 92 N LYS A 6 28.268 36.516 13.495 1.00 0.00 N ATOM 93 CA LYS A 6 28.298 37.928 13.981 1.00 0.00 C ATOM 94 C LYS A 6 29.187 38.009 15.226 1.00 0.00 C ATOM 95 O LYS A 6 28.906 37.400 16.239 1.00 0.00 O ATOM 96 CB LYS A 6 26.876 38.378 14.336 1.00 0.00 C ATOM 97 CG LYS A 6 26.047 38.587 13.054 1.00 0.00 C ATOM 98 CD LYS A 6 26.245 40.011 12.519 1.00 0.00 C ATOM 99 CE LYS A 6 25.487 40.173 11.202 1.00 0.00 C ATOM 100 NZ LYS A 6 24.022 40.196 11.469 1.00 0.00 N ATOM 0 H LYS A 6 27.532 35.936 13.897 1.00 0.00 H new ATOM 0 HA LYS A 6 28.696 38.578 13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.398 37.630 14.969 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.913 39.305 14.909 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.346 37.862 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.991 38.413 13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.887 40.738 13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.306 40.209 12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.791 41.095 10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.731 39.353 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.518 40.507 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.702 39.242 11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.821 40.855 12.248 1.00 0.00 H new ATOM 114 N THR A 7 30.261 38.752 15.156 1.00 0.00 N ATOM 115 CA THR A 7 31.174 38.873 16.334 1.00 0.00 C ATOM 116 C THR A 7 30.765 40.081 17.178 1.00 0.00 C ATOM 117 O THR A 7 30.077 40.970 16.717 1.00 0.00 O ATOM 118 CB THR A 7 32.612 39.055 15.845 1.00 0.00 C ATOM 119 OG1 THR A 7 32.674 40.171 14.968 1.00 0.00 O ATOM 120 CG2 THR A 7 33.065 37.795 15.105 1.00 0.00 C ATOM 0 H THR A 7 30.547 39.282 14.332 1.00 0.00 H new ATOM 0 HA THR A 7 31.106 37.970 16.940 1.00 0.00 H new ATOM 0 HB THR A 7 33.268 39.227 16.699 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.333 39.913 14.086 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.090 37.926 14.757 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.017 36.940 15.779 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.411 37.620 14.251 1.00 0.00 H new ATOM 128 N LEU A 8 31.181 40.120 18.415 1.00 0.00 N ATOM 129 CA LEU A 8 30.812 41.267 19.294 1.00 0.00 C ATOM 130 C LEU A 8 31.449 42.554 18.764 1.00 0.00 C ATOM 131 O LEU A 8 31.018 43.646 19.083 1.00 0.00 O ATOM 132 CB LEU A 8 31.319 41.002 20.714 1.00 0.00 C ATOM 133 CG LEU A 8 30.905 39.596 21.162 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.459 39.327 22.564 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.374 39.490 21.187 1.00 0.00 C ATOM 0 H LEU A 8 31.761 39.406 18.855 1.00 0.00 H new ATOM 0 HA LEU A 8 29.728 41.377 19.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.404 41.098 20.746 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.913 41.746 21.399 1.00 0.00 H new ATOM 0 HG LEU A 8 31.304 38.861 20.463 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.166 38.327 22.885 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.547 39.398 22.545 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.059 40.064 23.261 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.084 38.489 21.506 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.970 40.224 21.884 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.980 39.681 20.189 1.00 0.00 H new ATOM 147 N THR A 9 32.472 42.442 17.961 1.00 0.00 N ATOM 148 CA THR A 9 33.130 43.667 17.421 1.00 0.00 C ATOM 149 C THR A 9 32.338 44.186 16.220 1.00 0.00 C ATOM 150 O THR A 9 32.580 45.270 15.726 1.00 0.00 O ATOM 151 CB THR A 9 34.559 43.333 16.988 1.00 0.00 C ATOM 152 OG1 THR A 9 35.273 42.797 18.094 1.00 0.00 O ATOM 153 CG2 THR A 9 35.256 44.604 16.495 1.00 0.00 C ATOM 0 H THR A 9 32.880 41.558 17.656 1.00 0.00 H new ATOM 0 HA THR A 9 33.157 44.434 18.195 1.00 0.00 H new ATOM 0 HB THR A 9 34.533 42.600 16.181 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.188 42.581 17.819 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.274 44.365 16.187 1.00 0.00 H new ATOM 0 HG22 THR A 9 34.707 45.014 15.647 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.284 45.339 17.299 1.00 0.00 H new ATOM 161 N GLY A 10 31.382 43.427 15.749 1.00 0.00 N ATOM 162 CA GLY A 10 30.564 43.880 14.583 1.00 0.00 C ATOM 163 C GLY A 10 31.153 43.335 13.279 1.00 0.00 C ATOM 164 O GLY A 10 30.834 43.807 12.206 1.00 0.00 O ATOM 0 H GLY A 10 31.132 42.511 16.122 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.535 43.538 14.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.536 44.969 14.551 1.00 0.00 H new ATOM 168 N LYS A 11 32.005 42.344 13.352 1.00 0.00 N ATOM 169 CA LYS A 11 32.600 41.774 12.105 1.00 0.00 C ATOM 170 C LYS A 11 31.776 40.568 11.649 1.00 0.00 C ATOM 171 O LYS A 11 31.619 39.601 12.368 1.00 0.00 O ATOM 172 CB LYS A 11 34.039 41.326 12.380 1.00 0.00 C ATOM 173 CG LYS A 11 34.842 42.486 12.979 1.00 0.00 C ATOM 174 CD LYS A 11 34.955 43.631 11.961 1.00 0.00 C ATOM 175 CE LYS A 11 36.131 44.540 12.329 1.00 0.00 C ATOM 176 NZ LYS A 11 36.193 45.682 11.374 1.00 0.00 N ATOM 0 H LYS A 11 32.314 41.906 14.220 1.00 0.00 H new ATOM 0 HA LYS A 11 32.597 42.536 11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.040 40.479 13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.507 40.988 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.357 42.843 13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 11 35.837 42.142 13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 11 35.097 43.226 10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.030 44.207 11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.014 44.910 13.348 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.063 43.976 12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 36.992 46.300 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 36.324 45.320 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.307 46.224 11.423 1.00 0.00 H new ATOM 190 N THR A 12 31.247 40.622 10.454 1.00 0.00 N ATOM 191 CA THR A 12 30.430 39.484 9.934 1.00 0.00 C ATOM 192 C THR A 12 31.311 38.585 9.065 1.00 0.00 C ATOM 193 O THR A 12 31.878 39.023 8.083 1.00 0.00 O ATOM 194 CB THR A 12 29.274 40.028 9.091 1.00 0.00 C ATOM 195 OG1 THR A 12 28.420 40.809 9.914 1.00 0.00 O ATOM 196 CG2 THR A 12 28.485 38.864 8.490 1.00 0.00 C ATOM 0 H THR A 12 31.346 41.409 9.813 1.00 0.00 H new ATOM 0 HA THR A 12 30.031 38.910 10.770 1.00 0.00 H new ATOM 0 HB THR A 12 29.670 40.647 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.680 41.160 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.662 39.253 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.143 38.266 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.087 38.242 9.292 1.00 0.00 H new ATOM 204 N ILE A 13 31.427 37.328 9.419 1.00 0.00 N ATOM 205 CA ILE A 13 32.268 36.378 8.619 1.00 0.00 C ATOM 206 C ILE A 13 31.361 35.361 7.930 1.00 0.00 C ATOM 207 O ILE A 13 30.377 34.919 8.486 1.00 0.00 O ATOM 208 CB ILE A 13 33.238 35.646 9.545 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.889 36.658 10.491 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.318 34.955 8.708 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.987 35.969 11.299 1.00 0.00 C ATOM 0 H ILE A 13 30.972 36.915 10.233 1.00 0.00 H new ATOM 0 HA ILE A 13 32.833 36.934 7.871 1.00 0.00 H new ATOM 0 HB ILE A 13 32.699 34.897 10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.308 37.487 9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.140 37.079 11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.011 34.432 9.368 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.851 34.239 8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.862 35.701 8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.450 36.690 11.972 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.554 35.155 11.881 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.741 35.569 10.621 1.00 0.00 H new ATOM 223 N THR A 14 31.686 34.995 6.718 1.00 0.00 N ATOM 224 CA THR A 14 30.848 34.009 5.964 1.00 0.00 C ATOM 225 C THR A 14 31.580 32.671 5.879 1.00 0.00 C ATOM 226 O THR A 14 32.744 32.610 5.536 1.00 0.00 O ATOM 227 CB THR A 14 30.600 34.538 4.551 1.00 0.00 C ATOM 228 OG1 THR A 14 31.843 34.695 3.880 1.00 0.00 O ATOM 229 CG2 THR A 14 29.888 35.887 4.630 1.00 0.00 C ATOM 0 H THR A 14 32.502 35.338 6.212 1.00 0.00 H new ATOM 0 HA THR A 14 29.898 33.870 6.480 1.00 0.00 H new ATOM 0 HB THR A 14 29.978 33.832 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 14 32.521 34.134 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.711 36.265 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.935 35.766 5.145 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.509 36.595 5.179 1.00 0.00 H new ATOM 237 N LEU A 15 30.901 31.596 6.192 1.00 0.00 N ATOM 238 CA LEU A 15 31.539 30.243 6.139 1.00 0.00 C ATOM 239 C LEU A 15 30.618 29.271 5.400 1.00 0.00 C ATOM 240 O LEU A 15 29.411 29.419 5.400 1.00 0.00 O ATOM 241 CB LEU A 15 31.753 29.723 7.566 1.00 0.00 C ATOM 242 CG LEU A 15 32.844 30.545 8.281 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.651 30.439 9.796 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.239 30.008 7.923 1.00 0.00 C ATOM 0 H LEU A 15 29.924 31.597 6.484 1.00 0.00 H new ATOM 0 HA LEU A 15 32.495 30.319 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.819 29.782 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.041 28.672 7.537 1.00 0.00 H new ATOM 0 HG LEU A 15 32.763 31.584 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.422 31.020 10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.669 30.827 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.725 29.395 10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.999 30.598 8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.319 28.966 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.390 30.078 6.846 1.00 0.00 H new ATOM 256 N GLU A 16 31.186 28.260 4.795 1.00 0.00 N ATOM 257 CA GLU A 16 30.374 27.233 4.073 1.00 0.00 C ATOM 258 C GLU A 16 30.509 25.919 4.840 1.00 0.00 C ATOM 259 O GLU A 16 31.601 25.499 5.167 1.00 0.00 O ATOM 260 CB GLU A 16 30.907 27.064 2.645 1.00 0.00 C ATOM 261 CG GLU A 16 32.436 27.106 2.657 1.00 0.00 C ATOM 262 CD GLU A 16 32.964 26.827 1.249 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.019 27.759 0.463 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.302 25.687 0.978 1.00 0.00 O ATOM 0 H GLU A 16 32.193 28.100 4.770 1.00 0.00 H new ATOM 0 HA GLU A 16 29.328 27.536 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.563 26.118 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.517 27.855 2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.781 28.081 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.825 26.366 3.356 1.00 0.00 H new ATOM 271 N VAL A 17 29.416 25.267 5.146 1.00 0.00 N ATOM 272 CA VAL A 17 29.506 23.987 5.914 1.00 0.00 C ATOM 273 C VAL A 17 28.401 23.026 5.472 1.00 0.00 C ATOM 274 O VAL A 17 27.579 23.341 4.634 1.00 0.00 O ATOM 275 CB VAL A 17 29.368 24.282 7.424 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.093 25.589 7.762 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.884 24.411 7.817 1.00 0.00 C ATOM 0 H VAL A 17 28.471 25.562 4.900 1.00 0.00 H new ATOM 0 HA VAL A 17 30.473 23.523 5.720 1.00 0.00 H new ATOM 0 HB VAL A 17 29.812 23.456 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.994 25.795 8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.149 25.496 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.653 26.407 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.807 24.619 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.428 25.226 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.365 23.480 7.590 1.00 0.00 H new ATOM 287 N GLU A 18 28.381 21.855 6.051 1.00 0.00 N ATOM 288 CA GLU A 18 27.341 20.840 5.714 1.00 0.00 C ATOM 289 C GLU A 18 26.440 20.649 6.941 1.00 0.00 C ATOM 290 O GLU A 18 26.869 20.846 8.059 1.00 0.00 O ATOM 291 CB GLU A 18 28.039 19.515 5.380 1.00 0.00 C ATOM 292 CG GLU A 18 28.660 19.602 3.984 1.00 0.00 C ATOM 293 CD GLU A 18 29.508 18.356 3.725 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.058 17.829 4.678 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.591 17.948 2.578 1.00 0.00 O ATOM 0 H GLU A 18 29.054 21.554 6.756 1.00 0.00 H new ATOM 0 HA GLU A 18 26.745 21.165 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.810 19.302 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.323 18.694 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.877 19.685 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.276 20.498 3.903 1.00 0.00 H new ATOM 302 N PRO A 19 25.208 20.259 6.756 1.00 0.00 N ATOM 303 CA PRO A 19 24.269 20.035 7.896 1.00 0.00 C ATOM 304 C PRO A 19 24.735 18.860 8.755 1.00 0.00 C ATOM 305 O PRO A 19 24.526 18.820 9.951 1.00 0.00 O ATOM 306 CB PRO A 19 22.937 19.712 7.203 1.00 0.00 C ATOM 307 CG PRO A 19 23.349 19.154 5.885 1.00 0.00 C ATOM 308 CD PRO A 19 24.559 19.978 5.466 1.00 0.00 C ATOM 0 HA PRO A 19 24.201 20.890 8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.352 18.993 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.321 20.603 7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.601 18.097 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.545 19.235 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.214 19.425 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.269 20.893 4.949 1.00 0.00 H new ATOM 316 N SER A 20 25.370 17.897 8.138 1.00 0.00 N ATOM 317 CA SER A 20 25.862 16.717 8.893 1.00 0.00 C ATOM 318 C SER A 20 27.240 17.031 9.476 1.00 0.00 C ATOM 319 O SER A 20 27.885 16.181 10.057 1.00 0.00 O ATOM 320 CB SER A 20 25.972 15.517 7.955 1.00 0.00 C ATOM 321 OG SER A 20 24.695 15.242 7.395 1.00 0.00 O ATOM 0 H SER A 20 25.568 17.882 7.137 1.00 0.00 H new ATOM 0 HA SER A 20 25.165 16.484 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.692 15.724 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.338 14.647 8.500 1.00 0.00 H new ATOM 0 HG SER A 20 24.761 14.473 6.791 1.00 0.00 H new ATOM 327 N ASP A 21 27.700 18.244 9.326 1.00 0.00 N ATOM 328 CA ASP A 21 29.043 18.590 9.877 1.00 0.00 C ATOM 329 C ASP A 21 28.970 18.597 11.410 1.00 0.00 C ATOM 330 O ASP A 21 27.960 18.939 11.994 1.00 0.00 O ATOM 331 CB ASP A 21 29.481 19.973 9.352 1.00 0.00 C ATOM 332 CG ASP A 21 31.011 20.053 9.274 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.660 19.145 9.762 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.504 21.023 8.723 1.00 0.00 O ATOM 0 H ASP A 21 27.211 19.003 8.851 1.00 0.00 H new ATOM 0 HA ASP A 21 29.777 17.850 9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.050 20.148 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.102 20.756 10.009 1.00 0.00 H new ATOM 339 N THR A 22 30.036 18.217 12.066 1.00 0.00 N ATOM 340 CA THR A 22 30.040 18.193 13.562 1.00 0.00 C ATOM 341 C THR A 22 30.645 19.495 14.089 1.00 0.00 C ATOM 342 O THR A 22 31.504 20.084 13.466 1.00 0.00 O ATOM 343 CB THR A 22 30.889 17.014 14.045 1.00 0.00 C ATOM 344 OG1 THR A 22 32.181 17.093 13.457 1.00 0.00 O ATOM 345 CG2 THR A 22 30.224 15.697 13.643 1.00 0.00 C ATOM 0 H THR A 22 30.909 17.921 11.629 1.00 0.00 H new ATOM 0 HA THR A 22 29.019 18.088 13.928 1.00 0.00 H new ATOM 0 HB THR A 22 30.977 17.053 15.131 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.727 16.340 13.766 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.833 14.862 13.989 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.234 15.637 14.095 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.131 15.653 12.558 1.00 0.00 H new ATOM 353 N ILE A 23 30.206 19.948 15.231 1.00 0.00 N ATOM 354 CA ILE A 23 30.766 21.212 15.789 1.00 0.00 C ATOM 355 C ILE A 23 32.292 21.093 15.866 1.00 0.00 C ATOM 356 O ILE A 23 33.009 22.032 15.594 1.00 0.00 O ATOM 357 CB ILE A 23 30.202 21.455 17.194 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.660 21.427 17.170 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.676 22.819 17.702 1.00 0.00 C ATOM 360 CD1 ILE A 23 28.127 22.378 16.093 1.00 0.00 C ATOM 0 H ILE A 23 29.487 19.500 15.800 1.00 0.00 H new ATOM 0 HA ILE A 23 30.491 22.047 15.144 1.00 0.00 H new ATOM 0 HB ILE A 23 30.558 20.666 17.857 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.311 20.413 16.974 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.269 21.716 18.146 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.276 22.994 18.701 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.765 22.835 17.739 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.324 23.600 17.028 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.037 22.348 16.088 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.461 23.393 16.307 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.503 22.070 15.117 1.00 0.00 H new ATOM 372 N GLU A 24 32.790 19.945 16.233 1.00 0.00 N ATOM 373 CA GLU A 24 34.269 19.765 16.328 1.00 0.00 C ATOM 374 C GLU A 24 34.909 19.983 14.953 1.00 0.00 C ATOM 375 O GLU A 24 35.883 20.700 14.812 1.00 0.00 O ATOM 376 CB GLU A 24 34.573 18.340 16.802 1.00 0.00 C ATOM 377 CG GLU A 24 34.255 18.213 18.294 1.00 0.00 C ATOM 378 CD GLU A 24 35.362 18.882 19.111 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.242 20.067 19.377 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.309 18.197 19.462 1.00 0.00 O ATOM 0 H GLU A 24 32.237 19.122 16.472 1.00 0.00 H new ATOM 0 HA GLU A 24 34.675 20.489 17.035 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.982 17.623 16.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.622 18.103 16.622 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.294 18.680 18.513 1.00 0.00 H new ATOM 0 HG3 GLU A 24 34.169 17.162 18.570 1.00 0.00 H new ATOM 387 N ASN A 25 34.366 19.375 13.936 1.00 0.00 N ATOM 388 CA ASN A 25 34.943 19.544 12.572 1.00 0.00 C ATOM 389 C ASN A 25 34.721 20.978 12.091 1.00 0.00 C ATOM 390 O ASN A 25 35.563 21.558 11.433 1.00 0.00 O ATOM 391 CB ASN A 25 34.259 18.576 11.604 1.00 0.00 C ATOM 392 CG ASN A 25 34.980 18.610 10.255 1.00 0.00 C ATOM 393 OD1 ASN A 25 36.132 18.235 10.161 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.346 19.047 9.202 1.00 0.00 N ATOM 0 H ASN A 25 33.548 18.768 13.989 1.00 0.00 H new ATOM 0 HA ASN A 25 36.012 19.334 12.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 34.275 17.565 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.212 18.852 11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.817 19.074 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.379 19.361 9.283 1.00 0.00 H new ATOM 401 N VAL A 26 33.595 21.552 12.410 1.00 0.00 N ATOM 402 CA VAL A 26 33.319 22.946 11.965 1.00 0.00 C ATOM 403 C VAL A 26 34.243 23.912 12.712 1.00 0.00 C ATOM 404 O VAL A 26 34.620 24.945 12.193 1.00 0.00 O ATOM 405 CB VAL A 26 31.857 23.294 12.245 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.597 24.756 11.885 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.953 22.400 11.393 1.00 0.00 C ATOM 0 H VAL A 26 32.854 21.116 12.959 1.00 0.00 H new ATOM 0 HA VAL A 26 33.504 23.032 10.894 1.00 0.00 H new ATOM 0 HB VAL A 26 31.645 23.137 13.303 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.554 25.000 12.086 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.242 25.399 12.484 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.809 24.914 10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.909 22.645 11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.171 22.562 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.134 21.355 11.644 1.00 0.00 H new ATOM 417 N LYS A 27 34.631 23.578 13.917 1.00 0.00 N ATOM 418 CA LYS A 27 35.547 24.472 14.677 1.00 0.00 C ATOM 419 C LYS A 27 36.917 24.394 14.019 1.00 0.00 C ATOM 420 O LYS A 27 37.652 25.357 13.951 1.00 0.00 O ATOM 421 CB LYS A 27 35.643 23.990 16.132 1.00 0.00 C ATOM 422 CG LYS A 27 34.429 24.481 16.925 1.00 0.00 C ATOM 423 CD LYS A 27 34.454 23.868 18.329 1.00 0.00 C ATOM 424 CE LYS A 27 33.523 24.655 19.252 1.00 0.00 C ATOM 425 NZ LYS A 27 34.153 25.961 19.596 1.00 0.00 N ATOM 0 H LYS A 27 34.352 22.726 14.404 1.00 0.00 H new ATOM 0 HA LYS A 27 35.178 25.498 14.672 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.691 22.901 16.161 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.561 24.362 16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.440 25.569 16.991 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.509 24.203 16.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.142 22.824 18.286 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.470 23.881 18.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.563 24.820 18.763 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.325 24.084 20.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.725 26.334 20.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.174 25.826 19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.000 26.635 18.819 1.00 0.00 H new ATOM 439 N ALA A 28 37.242 23.243 13.513 1.00 0.00 N ATOM 440 CA ALA A 28 38.543 23.067 12.824 1.00 0.00 C ATOM 441 C ALA A 28 38.581 24.005 11.615 1.00 0.00 C ATOM 442 O ALA A 28 39.529 24.736 11.406 1.00 0.00 O ATOM 443 CB ALA A 28 38.649 21.615 12.364 1.00 0.00 C ATOM 0 H ALA A 28 36.656 22.409 13.548 1.00 0.00 H new ATOM 0 HA ALA A 28 39.375 23.300 13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.600 21.463 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.592 20.954 13.229 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.831 21.389 11.680 1.00 0.00 H new ATOM 449 N LYS A 29 37.544 23.977 10.820 1.00 0.00 N ATOM 450 CA LYS A 29 37.485 24.853 9.619 1.00 0.00 C ATOM 451 C LYS A 29 37.715 26.308 10.038 1.00 0.00 C ATOM 452 O LYS A 29 38.503 27.018 9.445 1.00 0.00 O ATOM 453 CB LYS A 29 36.099 24.732 8.971 1.00 0.00 C ATOM 454 CG LYS A 29 35.802 23.265 8.602 1.00 0.00 C ATOM 455 CD LYS A 29 36.392 22.923 7.221 1.00 0.00 C ATOM 456 CE LYS A 29 35.424 23.346 6.107 1.00 0.00 C ATOM 457 NZ LYS A 29 35.955 22.894 4.790 1.00 0.00 N ATOM 0 H LYS A 29 36.729 23.378 10.955 1.00 0.00 H new ATOM 0 HA LYS A 29 38.254 24.549 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.337 25.102 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.053 25.354 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.223 22.602 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.725 23.097 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.349 23.429 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.586 21.852 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.439 22.913 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.301 24.429 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.300 23.180 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.886 23.327 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.051 21.858 4.791 1.00 0.00 H new ATOM 471 N ILE A 30 37.029 26.758 11.052 1.00 0.00 N ATOM 472 CA ILE A 30 37.201 28.167 11.505 1.00 0.00 C ATOM 473 C ILE A 30 38.616 28.367 12.049 1.00 0.00 C ATOM 474 O ILE A 30 39.224 29.401 11.858 1.00 0.00 O ATOM 475 CB ILE A 30 36.186 28.473 12.607 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.776 28.411 12.020 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.443 29.880 13.164 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.749 28.380 13.152 1.00 0.00 C ATOM 0 H ILE A 30 36.356 26.210 11.587 1.00 0.00 H new ATOM 0 HA ILE A 30 37.041 28.838 10.661 1.00 0.00 H new ATOM 0 HB ILE A 30 36.285 27.742 13.409 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.600 29.275 11.379 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.670 27.524 11.395 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.719 30.098 13.950 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.451 29.930 13.575 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.341 30.613 12.363 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.745 28.336 12.731 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.920 27.502 13.775 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.849 29.280 13.759 1.00 0.00 H new ATOM 490 N GLN A 31 39.135 27.390 12.736 1.00 0.00 N ATOM 491 CA GLN A 31 40.505 27.516 13.306 1.00 0.00 C ATOM 492 C GLN A 31 41.516 27.762 12.186 1.00 0.00 C ATOM 493 O GLN A 31 42.352 28.632 12.273 1.00 0.00 O ATOM 494 CB GLN A 31 40.862 26.214 14.031 1.00 0.00 C ATOM 495 CG GLN A 31 42.314 26.269 14.532 1.00 0.00 C ATOM 496 CD GLN A 31 43.274 25.856 13.412 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.012 24.917 12.685 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.381 26.524 13.238 1.00 0.00 N ATOM 0 H GLN A 31 38.667 26.504 12.929 1.00 0.00 H new ATOM 0 HA GLN A 31 40.533 28.354 14.002 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.185 26.059 14.871 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.733 25.367 13.358 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.552 27.277 14.872 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.436 25.607 15.389 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.602 27.312 13.847 1.00 0.00 H new ATOM 0 HE22 GLN A 31 45.025 26.258 12.493 1.00 0.00 H new ATOM 507 N ASP A 32 41.451 26.986 11.147 1.00 0.00 N ATOM 508 CA ASP A 32 42.419 27.148 10.022 1.00 0.00 C ATOM 509 C ASP A 32 42.186 28.469 9.275 1.00 0.00 C ATOM 510 O ASP A 32 43.114 29.084 8.789 1.00 0.00 O ATOM 511 CB ASP A 32 42.249 25.983 9.044 1.00 0.00 C ATOM 512 CG ASP A 32 43.422 25.962 8.063 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.363 26.689 7.085 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.359 25.218 8.305 1.00 0.00 O ATOM 0 H ASP A 32 40.766 26.240 11.023 1.00 0.00 H new ATOM 0 HA ASP A 32 43.428 27.158 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.201 25.041 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.309 26.085 8.501 1.00 0.00 H new ATOM 519 N LYS A 33 40.960 28.900 9.151 1.00 0.00 N ATOM 520 CA LYS A 33 40.687 30.163 8.401 1.00 0.00 C ATOM 521 C LYS A 33 40.970 31.400 9.263 1.00 0.00 C ATOM 522 O LYS A 33 41.653 32.311 8.838 1.00 0.00 O ATOM 523 CB LYS A 33 39.225 30.177 7.958 1.00 0.00 C ATOM 524 CG LYS A 33 38.990 29.038 6.964 1.00 0.00 C ATOM 525 CD LYS A 33 37.554 29.102 6.439 1.00 0.00 C ATOM 526 CE LYS A 33 37.315 27.945 5.468 1.00 0.00 C ATOM 527 NZ LYS A 33 38.142 28.145 4.244 1.00 0.00 N ATOM 0 H LYS A 33 40.137 28.435 9.535 1.00 0.00 H new ATOM 0 HA LYS A 33 41.347 30.196 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.570 30.063 8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.981 31.134 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.694 29.114 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.169 28.078 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.849 29.046 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.381 30.054 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.572 26.998 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.259 27.892 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.770 27.554 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.107 29.145 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.127 27.876 4.443 1.00 0.00 H new ATOM 541 N GLU A 34 40.444 31.460 10.459 1.00 0.00 N ATOM 542 CA GLU A 34 40.683 32.664 11.318 1.00 0.00 C ATOM 543 C GLU A 34 41.956 32.472 12.147 1.00 0.00 C ATOM 544 O GLU A 34 42.457 33.396 12.756 1.00 0.00 O ATOM 545 CB GLU A 34 39.481 32.881 12.240 1.00 0.00 C ATOM 546 CG GLU A 34 38.289 33.370 11.409 1.00 0.00 C ATOM 547 CD GLU A 34 37.137 33.758 12.338 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.329 32.896 12.640 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.080 34.913 12.726 1.00 0.00 O ATOM 0 H GLU A 34 39.863 30.734 10.878 1.00 0.00 H new ATOM 0 HA GLU A 34 40.810 33.541 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.227 31.952 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.726 33.612 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.583 34.226 10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.967 32.588 10.722 1.00 0.00 H new ATOM 556 N GLY A 35 42.497 31.288 12.150 1.00 0.00 N ATOM 557 CA GLY A 35 43.755 31.039 12.908 1.00 0.00 C ATOM 558 C GLY A 35 43.508 31.085 14.422 1.00 0.00 C ATOM 559 O GLY A 35 44.420 30.908 15.204 1.00 0.00 O ATOM 0 H GLY A 35 42.121 30.477 11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 35 44.162 30.066 12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.501 31.786 12.636 1.00 0.00 H new ATOM 563 N ILE A 36 42.296 31.318 14.851 1.00 0.00 N ATOM 564 CA ILE A 36 42.030 31.369 16.324 1.00 0.00 C ATOM 565 C ILE A 36 41.748 29.938 16.828 1.00 0.00 C ATOM 566 O ILE A 36 41.002 29.210 16.204 1.00 0.00 O ATOM 567 CB ILE A 36 40.810 32.260 16.585 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.011 33.611 15.892 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.651 32.488 18.089 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.762 34.474 16.084 1.00 0.00 C ATOM 0 H ILE A 36 41.484 31.474 14.254 1.00 0.00 H new ATOM 0 HA ILE A 36 42.893 31.779 16.849 1.00 0.00 H new ATOM 0 HB ILE A 36 39.917 31.772 16.194 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.883 34.118 16.305 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.203 33.462 14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.783 33.122 18.271 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.512 31.530 18.590 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.544 32.975 18.480 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.905 35.436 15.591 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.900 33.968 15.650 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.590 34.634 17.148 1.00 0.00 H new ATOM 582 N PRO A 37 42.335 29.516 17.936 1.00 0.00 N ATOM 583 CA PRO A 37 42.113 28.136 18.467 1.00 0.00 C ATOM 584 C PRO A 37 40.693 27.956 19.035 1.00 0.00 C ATOM 585 O PRO A 37 40.039 28.911 19.409 1.00 0.00 O ATOM 586 CB PRO A 37 43.174 27.992 19.569 1.00 0.00 C ATOM 587 CG PRO A 37 43.429 29.388 20.033 1.00 0.00 C ATOM 588 CD PRO A 37 43.261 30.279 18.799 1.00 0.00 C ATOM 0 HA PRO A 37 42.201 27.378 17.689 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.816 27.363 20.384 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.083 27.530 19.185 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.729 29.672 20.818 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.431 29.484 20.450 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.851 31.254 19.062 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.215 30.458 18.302 1.00 0.00 H new ATOM 596 N PRO A 38 40.220 26.737 19.097 1.00 0.00 N ATOM 597 CA PRO A 38 38.854 26.426 19.614 1.00 0.00 C ATOM 598 C PRO A 38 38.724 26.657 21.123 1.00 0.00 C ATOM 599 O PRO A 38 37.633 26.767 21.646 1.00 0.00 O ATOM 600 CB PRO A 38 38.671 24.945 19.262 1.00 0.00 C ATOM 601 CG PRO A 38 40.054 24.409 19.287 1.00 0.00 C ATOM 602 CD PRO A 38 40.927 25.510 18.697 1.00 0.00 C ATOM 0 HA PRO A 38 38.095 27.074 19.177 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.031 24.437 19.983 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.210 24.819 18.282 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.362 24.166 20.304 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.130 23.492 18.703 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.941 25.479 19.096 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.008 25.425 17.613 1.00 0.00 H new ATOM 610 N ASP A 39 39.819 26.724 21.834 1.00 0.00 N ATOM 611 CA ASP A 39 39.732 26.936 23.306 1.00 0.00 C ATOM 612 C ASP A 39 39.509 28.416 23.607 1.00 0.00 C ATOM 613 O ASP A 39 39.309 28.796 24.742 1.00 0.00 O ATOM 614 CB ASP A 39 41.034 26.469 23.966 1.00 0.00 C ATOM 615 CG ASP A 39 42.172 27.441 23.634 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.146 28.006 22.553 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.046 27.607 24.468 1.00 0.00 O ATOM 0 H ASP A 39 40.764 26.641 21.460 1.00 0.00 H new ATOM 0 HA ASP A 39 38.894 26.362 23.702 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.901 26.408 25.046 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.288 25.468 23.619 1.00 0.00 H new ATOM 622 N GLN A 40 39.538 29.256 22.602 1.00 0.00 N ATOM 623 CA GLN A 40 39.319 30.717 22.833 1.00 0.00 C ATOM 624 C GLN A 40 37.957 31.122 22.260 1.00 0.00 C ATOM 625 O GLN A 40 37.342 32.063 22.718 1.00 0.00 O ATOM 626 CB GLN A 40 40.424 31.512 22.132 1.00 0.00 C ATOM 627 CG GLN A 40 41.722 31.408 22.941 1.00 0.00 C ATOM 628 CD GLN A 40 42.811 32.239 22.264 1.00 0.00 C ATOM 629 OE1 GLN A 40 43.926 31.787 22.099 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.532 33.448 21.863 1.00 0.00 N ATOM 0 H GLN A 40 39.704 28.992 21.631 1.00 0.00 H new ATOM 0 HA GLN A 40 39.342 30.927 23.902 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.580 31.127 21.124 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.128 32.556 22.032 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.558 31.763 23.959 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.036 30.367 23.013 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.596 33.828 22.001 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.250 34.014 21.411 1.00 0.00 H new ATOM 639 N GLN A 41 37.486 30.427 21.250 1.00 0.00 N ATOM 640 CA GLN A 41 36.167 30.782 20.634 1.00 0.00 C ATOM 641 C GLN A 41 35.046 29.905 21.211 1.00 0.00 C ATOM 642 O GLN A 41 35.170 28.701 21.302 1.00 0.00 O ATOM 643 CB GLN A 41 36.255 30.566 19.119 1.00 0.00 C ATOM 644 CG GLN A 41 37.178 31.623 18.511 1.00 0.00 C ATOM 645 CD GLN A 41 37.318 31.379 17.006 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.781 32.122 16.207 1.00 0.00 O ATOM 647 NE2 GLN A 41 38.024 30.366 16.579 1.00 0.00 N ATOM 0 H GLN A 41 37.959 29.629 20.826 1.00 0.00 H new ATOM 0 HA GLN A 41 35.939 31.825 20.855 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.635 29.567 18.904 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.263 30.632 18.672 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.775 32.619 18.692 1.00 0.00 H new ATOM 0 HG3 GLN A 41 38.157 31.583 18.989 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.475 29.741 17.247 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.124 30.200 15.578 1.00 0.00 H new ATOM 656 N ARG A 42 33.938 30.512 21.555 1.00 0.00 N ATOM 657 CA ARG A 42 32.760 29.758 22.082 1.00 0.00 C ATOM 658 C ARG A 42 31.605 30.000 21.110 1.00 0.00 C ATOM 659 O ARG A 42 31.101 31.107 21.017 1.00 0.00 O ATOM 660 CB ARG A 42 32.375 30.285 23.445 1.00 0.00 C ATOM 661 CG ARG A 42 33.458 29.899 24.457 1.00 0.00 C ATOM 662 CD ARG A 42 33.132 30.541 25.839 1.00 0.00 C ATOM 663 NE ARG A 42 33.283 29.564 26.990 1.00 0.00 N ATOM 664 CZ ARG A 42 34.159 28.579 26.987 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.034 27.626 27.875 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.180 28.566 26.137 1.00 0.00 N ATOM 0 H ARG A 42 33.798 31.520 21.491 1.00 0.00 H new ATOM 0 HA ARG A 42 32.993 28.697 22.173 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.262 31.369 23.411 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.413 29.873 23.749 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.512 28.814 24.552 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.434 30.237 24.108 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.791 31.394 26.003 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.112 30.924 25.825 1.00 0.00 H new ATOM 0 HE ARG A 42 32.678 29.675 27.804 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.270 27.655 28.551 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.700 26.854 27.892 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.298 29.328 25.470 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.846 27.794 26.152 1.00 0.00 H new ATOM 680 N LEU A 43 31.199 29.010 20.342 1.00 0.00 N ATOM 681 CA LEU A 43 30.104 29.258 19.344 1.00 0.00 C ATOM 682 C LEU A 43 28.718 28.923 19.921 1.00 0.00 C ATOM 683 O LEU A 43 28.490 27.861 20.476 1.00 0.00 O ATOM 684 CB LEU A 43 30.348 28.403 18.093 1.00 0.00 C ATOM 685 CG LEU A 43 31.798 28.556 17.609 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.974 27.769 16.307 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.116 30.037 17.353 1.00 0.00 C ATOM 0 H LEU A 43 31.570 28.060 20.362 1.00 0.00 H new ATOM 0 HA LEU A 43 30.119 30.318 19.091 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.141 27.356 18.315 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.661 28.702 17.301 1.00 0.00 H new ATOM 0 HG LEU A 43 32.475 28.174 18.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.001 27.872 15.956 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.755 26.716 16.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.291 28.158 15.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.146 30.134 17.010 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.442 30.427 16.591 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.986 30.602 18.276 1.00 0.00 H new ATOM 699 N ILE A 44 27.787 29.848 19.785 1.00 0.00 N ATOM 700 CA ILE A 44 26.395 29.636 20.304 1.00 0.00 C ATOM 701 C ILE A 44 25.383 29.823 19.166 1.00 0.00 C ATOM 702 O ILE A 44 25.511 30.709 18.340 1.00 0.00 O ATOM 703 CB ILE A 44 26.101 30.661 21.407 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.156 30.534 22.512 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.706 30.406 22.002 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.889 31.571 23.605 1.00 0.00 C ATOM 0 H ILE A 44 27.938 30.749 19.331 1.00 0.00 H new ATOM 0 HA ILE A 44 26.312 28.625 20.704 1.00 0.00 H new ATOM 0 HB ILE A 44 26.131 31.664 20.982 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.132 29.530 22.937 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.152 30.680 22.095 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.505 31.138 22.784 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.954 30.497 21.218 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.669 29.402 22.426 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.642 31.476 24.388 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.935 32.572 23.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.900 31.404 24.031 1.00 0.00 H new ATOM 718 N PHE A 45 24.360 29.003 19.145 1.00 0.00 N ATOM 719 CA PHE A 45 23.288 29.113 18.100 1.00 0.00 C ATOM 720 C PHE A 45 21.963 29.378 18.811 1.00 0.00 C ATOM 721 O PHE A 45 21.670 28.775 19.825 1.00 0.00 O ATOM 722 CB PHE A 45 23.185 27.801 17.310 1.00 0.00 C ATOM 723 CG PHE A 45 21.962 27.845 16.417 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.015 28.504 15.183 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.770 27.231 16.829 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.882 28.551 14.362 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.637 27.278 16.006 1.00 0.00 C ATOM 728 CZ PHE A 45 19.693 27.938 14.772 1.00 0.00 C ATOM 0 H PHE A 45 24.219 28.249 19.818 1.00 0.00 H new ATOM 0 HA PHE A 45 23.524 29.921 17.407 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.082 27.654 16.709 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.118 26.956 17.995 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.932 28.977 14.864 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.726 26.722 17.781 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.926 29.061 13.411 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.720 26.805 16.324 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.820 27.974 14.138 1.00 0.00 H new ATOM 738 N ALA A 46 21.156 30.270 18.301 1.00 0.00 N ATOM 739 CA ALA A 46 19.859 30.561 18.973 1.00 0.00 C ATOM 740 C ALA A 46 20.113 30.773 20.468 1.00 0.00 C ATOM 741 O ALA A 46 20.728 31.745 20.862 1.00 0.00 O ATOM 742 CB ALA A 46 18.898 29.389 18.760 1.00 0.00 C ATOM 0 H ALA A 46 21.338 30.806 17.453 1.00 0.00 H new ATOM 0 HA ALA A 46 19.412 31.461 18.551 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.949 29.603 19.252 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.729 29.246 17.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.330 28.482 19.183 1.00 0.00 H new ATOM 748 N GLY A 47 19.644 29.878 21.305 1.00 0.00 N ATOM 749 CA GLY A 47 19.849 30.025 22.780 1.00 0.00 C ATOM 750 C GLY A 47 20.532 28.774 23.339 1.00 0.00 C ATOM 751 O GLY A 47 20.356 28.437 24.493 1.00 0.00 O ATOM 0 H GLY A 47 19.124 29.046 21.026 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.459 30.905 22.985 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.890 30.179 23.276 1.00 0.00 H new ATOM 755 N LYS A 48 21.330 28.090 22.542 1.00 0.00 N ATOM 756 CA LYS A 48 22.044 26.868 23.049 1.00 0.00 C ATOM 757 C LYS A 48 23.521 26.973 22.718 1.00 0.00 C ATOM 758 O LYS A 48 23.913 27.393 21.647 1.00 0.00 O ATOM 759 CB LYS A 48 21.497 25.572 22.407 1.00 0.00 C ATOM 760 CG LYS A 48 20.199 25.131 23.110 1.00 0.00 C ATOM 761 CD LYS A 48 18.985 25.826 22.473 1.00 0.00 C ATOM 762 CE LYS A 48 17.807 25.820 23.451 1.00 0.00 C ATOM 763 NZ LYS A 48 16.655 26.547 22.846 1.00 0.00 N ATOM 0 H LYS A 48 21.516 28.325 21.567 1.00 0.00 H new ATOM 0 HA LYS A 48 21.883 26.819 24.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.306 25.736 21.347 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.243 24.781 22.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.087 24.049 23.037 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.251 25.375 24.171 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.241 26.851 22.205 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.706 25.316 21.551 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.521 24.795 23.686 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.097 26.293 24.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.855 26.543 23.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.932 27.529 22.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.374 26.077 21.962 1.00 0.00 H new ATOM 777 N GLN A 49 24.337 26.558 23.635 1.00 0.00 N ATOM 778 CA GLN A 49 25.801 26.587 23.403 1.00 0.00 C ATOM 779 C GLN A 49 26.180 25.340 22.622 1.00 0.00 C ATOM 780 O GLN A 49 25.990 24.228 23.075 1.00 0.00 O ATOM 781 CB GLN A 49 26.539 26.601 24.726 1.00 0.00 C ATOM 782 CG GLN A 49 26.006 27.743 25.590 1.00 0.00 C ATOM 783 CD GLN A 49 26.663 27.694 26.971 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.235 26.953 27.834 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.692 28.458 27.219 1.00 0.00 N ATOM 0 H GLN A 49 24.051 26.196 24.545 1.00 0.00 H new ATOM 0 HA GLN A 49 26.072 27.484 22.846 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.406 25.649 25.240 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.609 26.726 24.557 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.213 28.701 25.112 1.00 0.00 H new ATOM 0 HG3 GLN A 49 24.923 27.663 25.688 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.052 29.080 26.495 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.136 28.433 28.137 1.00 0.00 H new ATOM 794 N LEU A 50 26.686 25.508 21.445 1.00 0.00 N ATOM 795 CA LEU A 50 27.048 24.326 20.617 1.00 0.00 C ATOM 796 C LEU A 50 28.023 23.430 21.386 1.00 0.00 C ATOM 797 O LEU A 50 29.095 23.849 21.775 1.00 0.00 O ATOM 798 CB LEU A 50 27.685 24.808 19.312 1.00 0.00 C ATOM 799 CG LEU A 50 26.670 25.649 18.519 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.356 26.248 17.283 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.479 24.769 18.079 1.00 0.00 C ATOM 0 H LEU A 50 26.868 26.414 21.013 1.00 0.00 H new ATOM 0 HA LEU A 50 26.153 23.747 20.390 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.574 25.401 19.527 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.008 23.954 18.717 1.00 0.00 H new ATOM 0 HG LEU A 50 26.298 26.453 19.155 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.637 26.844 16.721 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.185 26.882 17.598 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.734 25.444 16.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.767 25.375 17.519 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.840 23.957 17.448 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.988 24.354 18.959 1.00 0.00 H new ATOM 813 N GLU A 51 27.656 22.188 21.606 1.00 0.00 N ATOM 814 CA GLU A 51 28.555 21.250 22.346 1.00 0.00 C ATOM 815 C GLU A 51 29.379 20.434 21.343 1.00 0.00 C ATOM 816 O GLU A 51 28.945 20.142 20.239 1.00 0.00 O ATOM 817 CB GLU A 51 27.726 20.306 23.228 1.00 0.00 C ATOM 818 CG GLU A 51 26.755 21.116 24.091 1.00 0.00 C ATOM 819 CD GLU A 51 27.544 21.937 25.109 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.890 23.064 24.794 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.791 21.426 26.189 1.00 0.00 O ATOM 0 H GLU A 51 26.769 21.785 21.303 1.00 0.00 H new ATOM 0 HA GLU A 51 29.225 21.827 22.983 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.173 19.604 22.604 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.386 19.716 23.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.155 21.775 23.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.063 20.448 24.604 1.00 0.00 H new ATOM 828 N ASP A 52 30.570 20.076 21.719 1.00 0.00 N ATOM 829 CA ASP A 52 31.455 19.298 20.808 1.00 0.00 C ATOM 830 C ASP A 52 30.883 17.903 20.553 1.00 0.00 C ATOM 831 O ASP A 52 30.455 17.217 21.464 1.00 0.00 O ATOM 832 CB ASP A 52 32.825 19.155 21.471 1.00 0.00 C ATOM 833 CG ASP A 52 32.660 18.478 22.830 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.405 17.285 22.850 1.00 0.00 O ATOM 835 OD2 ASP A 52 32.789 19.163 23.834 1.00 0.00 O ATOM 0 H ASP A 52 30.976 20.291 22.630 1.00 0.00 H new ATOM 0 HA ASP A 52 31.533 19.822 19.856 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.489 18.567 20.837 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.286 20.135 21.594 1.00 0.00 H new ATOM 840 N GLY A 53 30.909 17.463 19.323 1.00 0.00 N ATOM 841 CA GLY A 53 30.410 16.091 18.992 1.00 0.00 C ATOM 842 C GLY A 53 28.985 16.118 18.422 1.00 0.00 C ATOM 843 O GLY A 53 28.545 15.152 17.833 1.00 0.00 O ATOM 0 H GLY A 53 31.256 17.997 18.526 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.081 15.626 18.269 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.430 15.472 19.889 1.00 0.00 H new ATOM 847 N ARG A 54 28.240 17.181 18.588 1.00 0.00 N ATOM 848 CA ARG A 54 26.842 17.164 18.027 1.00 0.00 C ATOM 849 C ARG A 54 26.852 17.542 16.559 1.00 0.00 C ATOM 850 O ARG A 54 27.847 17.980 16.018 1.00 0.00 O ATOM 851 CB ARG A 54 25.948 18.150 18.770 1.00 0.00 C ATOM 852 CG ARG A 54 26.056 17.910 20.297 1.00 0.00 C ATOM 853 CD ARG A 54 24.794 17.237 20.886 1.00 0.00 C ATOM 854 NE ARG A 54 24.672 17.787 22.276 1.00 0.00 N ATOM 855 CZ ARG A 54 25.082 17.060 23.287 1.00 0.00 C ATOM 856 NH1 ARG A 54 25.714 17.641 24.291 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.769 15.778 23.358 1.00 0.00 N ATOM 0 H ARG A 54 28.520 18.036 19.069 1.00 0.00 H new ATOM 0 HA ARG A 54 26.454 16.153 18.148 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.242 19.172 18.532 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.914 18.032 18.446 1.00 0.00 H new ATOM 0 HG2 ARG A 54 26.925 17.285 20.502 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.223 18.863 20.800 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.910 17.468 20.292 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.895 16.152 20.899 1.00 0.00 H new ATOM 0 HE ARG A 54 24.276 18.714 22.433 1.00 0.00 H new ATOM 0 HH11 ARG A 54 25.879 18.647 24.276 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.037 17.083 25.082 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.206 15.349 22.624 1.00 0.00 H new ATOM 0 HH22 ARG A 54 25.091 15.217 24.147 1.00 0.00 H new ATOM 871 N THR A 55 25.729 17.369 15.904 1.00 0.00 N ATOM 872 CA THR A 55 25.627 17.691 14.451 1.00 0.00 C ATOM 873 C THR A 55 24.785 18.951 14.258 1.00 0.00 C ATOM 874 O THR A 55 23.871 19.219 15.008 1.00 0.00 O ATOM 875 CB THR A 55 24.932 16.517 13.759 1.00 0.00 C ATOM 876 OG1 THR A 55 25.623 15.316 14.063 1.00 0.00 O ATOM 877 CG2 THR A 55 24.914 16.729 12.247 1.00 0.00 C ATOM 0 H THR A 55 24.869 17.014 16.323 1.00 0.00 H new ATOM 0 HA THR A 55 26.619 17.859 14.032 1.00 0.00 H new ATOM 0 HB THR A 55 23.904 16.451 14.117 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.178 14.562 13.622 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.417 15.886 11.767 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.376 17.648 12.015 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.937 16.804 11.878 1.00 0.00 H new ATOM 885 N LEU A 56 25.085 19.728 13.253 1.00 0.00 N ATOM 886 CA LEU A 56 24.304 20.977 13.005 1.00 0.00 C ATOM 887 C LEU A 56 22.814 20.633 12.862 1.00 0.00 C ATOM 888 O LEU A 56 21.959 21.327 13.372 1.00 0.00 O ATOM 889 CB LEU A 56 24.818 21.639 11.710 1.00 0.00 C ATOM 890 CG LEU A 56 25.948 22.628 12.021 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.182 21.875 12.522 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.306 23.386 10.745 1.00 0.00 C ATOM 0 H LEU A 56 25.840 19.552 12.590 1.00 0.00 H new ATOM 0 HA LEU A 56 24.428 21.665 13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.176 20.874 11.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.000 22.158 11.211 1.00 0.00 H new ATOM 0 HG LEU A 56 25.618 23.323 12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.979 22.586 12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.929 21.324 13.428 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.519 21.177 11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.109 24.093 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.634 22.680 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.431 23.928 10.386 1.00 0.00 H new ATOM 904 N SER A 57 22.500 19.574 12.170 1.00 0.00 N ATOM 905 CA SER A 57 21.068 19.196 11.994 1.00 0.00 C ATOM 906 C SER A 57 20.436 18.931 13.363 1.00 0.00 C ATOM 907 O SER A 57 19.233 18.960 13.520 1.00 0.00 O ATOM 908 CB SER A 57 20.978 17.931 11.139 1.00 0.00 C ATOM 909 OG SER A 57 21.589 18.174 9.877 1.00 0.00 O ATOM 0 H SER A 57 23.172 18.953 11.718 1.00 0.00 H new ATOM 0 HA SER A 57 20.536 20.009 11.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.474 17.101 11.643 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.935 17.644 11.002 1.00 0.00 H new ATOM 0 HG SER A 57 22.559 18.249 9.992 1.00 0.00 H new ATOM 915 N ASP A 58 21.245 18.661 14.349 1.00 0.00 N ATOM 916 CA ASP A 58 20.696 18.383 15.704 1.00 0.00 C ATOM 917 C ASP A 58 20.066 19.655 16.269 1.00 0.00 C ATOM 918 O ASP A 58 19.288 19.612 17.202 1.00 0.00 O ATOM 919 CB ASP A 58 21.825 17.916 16.627 1.00 0.00 C ATOM 920 CG ASP A 58 21.224 17.304 17.894 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.419 16.397 17.766 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.581 17.754 18.971 1.00 0.00 O ATOM 0 H ASP A 58 22.262 18.621 14.275 1.00 0.00 H new ATOM 0 HA ASP A 58 19.938 17.603 15.636 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.448 17.182 16.116 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.469 18.756 16.886 1.00 0.00 H new ATOM 927 N TYR A 59 20.406 20.791 15.714 1.00 0.00 N ATOM 928 CA TYR A 59 19.847 22.086 16.211 1.00 0.00 C ATOM 929 C TYR A 59 18.801 22.628 15.226 1.00 0.00 C ATOM 930 O TYR A 59 18.323 23.734 15.382 1.00 0.00 O ATOM 931 CB TYR A 59 20.994 23.102 16.342 1.00 0.00 C ATOM 932 CG TYR A 59 21.680 22.939 17.681 1.00 0.00 C ATOM 933 CD1 TYR A 59 22.995 22.463 17.749 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.999 23.284 18.853 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.626 22.335 18.993 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.628 23.151 20.094 1.00 0.00 C ATOM 937 CZ TYR A 59 22.942 22.678 20.165 1.00 0.00 C ATOM 938 OH TYR A 59 23.565 22.551 21.389 1.00 0.00 O ATOM 0 H TYR A 59 21.053 20.878 14.930 1.00 0.00 H new ATOM 0 HA TYR A 59 19.370 21.925 17.178 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.713 22.957 15.536 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.606 24.116 16.244 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.521 22.195 16.845 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.986 23.654 18.799 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.641 21.971 19.048 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.099 23.414 20.998 1.00 0.00 H new ATOM 0 HH TYR A 59 24.231 23.263 21.493 1.00 0.00 H new ATOM 948 N ASN A 60 18.441 21.882 14.218 1.00 0.00 N ATOM 949 CA ASN A 60 17.429 22.392 13.249 1.00 0.00 C ATOM 950 C ASN A 60 17.880 23.752 12.704 1.00 0.00 C ATOM 951 O ASN A 60 17.089 24.656 12.524 1.00 0.00 O ATOM 952 CB ASN A 60 16.077 22.541 13.954 1.00 0.00 C ATOM 953 CG ASN A 60 15.747 21.245 14.699 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.699 20.186 14.106 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.519 21.285 15.984 1.00 0.00 N ATOM 0 H ASN A 60 18.801 20.948 14.024 1.00 0.00 H new ATOM 0 HA ASN A 60 17.330 21.688 12.422 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.109 23.377 14.653 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.297 22.764 13.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.301 20.427 16.490 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.559 22.174 16.482 1.00 0.00 H new ATOM 962 N ILE A 61 19.151 23.899 12.439 1.00 0.00 N ATOM 963 CA ILE A 61 19.669 25.192 11.901 1.00 0.00 C ATOM 964 C ILE A 61 19.056 25.451 10.518 1.00 0.00 C ATOM 965 O ILE A 61 18.423 24.587 9.945 1.00 0.00 O ATOM 966 CB ILE A 61 21.200 25.105 11.807 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.789 25.130 13.221 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.756 26.287 11.007 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.245 24.665 13.180 1.00 0.00 C ATOM 0 H ILE A 61 19.857 23.175 12.573 1.00 0.00 H new ATOM 0 HA ILE A 61 19.395 26.016 12.559 1.00 0.00 H new ATOM 0 HB ILE A 61 21.473 24.179 11.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.730 26.138 13.632 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.209 24.483 13.879 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.842 26.209 10.950 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.338 26.274 10.000 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.484 27.220 11.500 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.661 24.684 14.187 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.292 23.649 12.787 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.821 25.330 12.537 1.00 0.00 H new ATOM 981 N GLN A 62 19.233 26.636 9.981 1.00 0.00 N ATOM 982 CA GLN A 62 18.656 26.955 8.635 1.00 0.00 C ATOM 983 C GLN A 62 19.668 27.756 7.806 1.00 0.00 C ATOM 984 O GLN A 62 20.409 28.581 8.316 1.00 0.00 O ATOM 985 CB GLN A 62 17.377 27.774 8.811 1.00 0.00 C ATOM 986 CG GLN A 62 16.678 27.917 7.457 1.00 0.00 C ATOM 987 CD GLN A 62 15.338 28.629 7.645 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.258 29.628 8.334 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.274 28.156 7.057 1.00 0.00 N ATOM 0 H GLN A 62 19.753 27.397 10.418 1.00 0.00 H new ATOM 0 HA GLN A 62 18.427 26.025 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.714 27.286 9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.614 28.758 9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.308 28.481 6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.520 26.935 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.341 27.318 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.375 28.624 7.175 1.00 0.00 H new ATOM 998 N LYS A 63 19.713 27.503 6.527 1.00 0.00 N ATOM 999 CA LYS A 63 20.677 28.223 5.650 1.00 0.00 C ATOM 1000 C LYS A 63 20.535 29.739 5.821 1.00 0.00 C ATOM 1001 O LYS A 63 19.457 30.261 6.022 1.00 0.00 O ATOM 1002 CB LYS A 63 20.422 27.843 4.189 1.00 0.00 C ATOM 1003 CG LYS A 63 18.970 28.149 3.809 1.00 0.00 C ATOM 1004 CD LYS A 63 18.726 27.721 2.359 1.00 0.00 C ATOM 1005 CE LYS A 63 17.261 27.959 1.986 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.388 27.070 2.803 1.00 0.00 N ATOM 0 H LYS A 63 19.120 26.824 6.050 1.00 0.00 H new ATOM 0 HA LYS A 63 21.689 27.935 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.100 28.395 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.629 26.783 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.288 27.621 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.768 29.214 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.377 28.284 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.976 26.667 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.996 29.003 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.108 27.761 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.735 26.555 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.977 26.389 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.842 27.644 3.477 1.00 0.00 H new ATOM 1020 N GLU A 64 21.631 30.441 5.726 1.00 0.00 N ATOM 1021 CA GLU A 64 21.615 31.927 5.860 1.00 0.00 C ATOM 1022 C GLU A 64 21.311 32.340 7.307 1.00 0.00 C ATOM 1023 O GLU A 64 21.023 33.488 7.578 1.00 0.00 O ATOM 1024 CB GLU A 64 20.565 32.531 4.911 1.00 0.00 C ATOM 1025 CG GLU A 64 20.949 33.977 4.567 1.00 0.00 C ATOM 1026 CD GLU A 64 19.803 34.652 3.813 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.054 33.947 3.158 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.695 35.864 3.903 1.00 0.00 O ATOM 0 H GLU A 64 22.554 30.040 5.558 1.00 0.00 H new ATOM 0 HA GLU A 64 22.601 32.306 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.499 31.936 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.581 32.507 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.172 34.530 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.853 33.988 3.958 1.00 0.00 H new ATOM 1066 N LEU A 67 25.093 32.939 13.354 1.00 0.00 N ATOM 1067 CA LEU A 67 25.518 32.347 14.658 1.00 0.00 C ATOM 1068 C LEU A 67 26.173 33.436 15.516 1.00 0.00 C ATOM 1069 O LEU A 67 26.841 34.317 15.013 1.00 0.00 O ATOM 1070 CB LEU A 67 26.545 31.238 14.396 1.00 0.00 C ATOM 1071 CG LEU A 67 25.837 29.968 13.921 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.049 30.261 12.640 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.881 28.884 13.643 1.00 0.00 C ATOM 0 HA LEU A 67 24.650 31.937 15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.263 31.566 13.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.108 31.031 15.306 1.00 0.00 H new ATOM 0 HG LEU A 67 25.148 29.626 14.693 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.547 29.353 12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.307 31.034 12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.732 30.604 11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.382 27.976 13.304 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.568 29.230 12.871 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.438 28.672 14.556 1.00 0.00 H new ATOM 1085 N HIS A 68 25.999 33.374 16.811 1.00 0.00 N ATOM 1086 CA HIS A 68 26.627 34.398 17.702 1.00 0.00 C ATOM 1087 C HIS A 68 27.987 33.882 18.166 1.00 0.00 C ATOM 1088 O HIS A 68 28.096 32.779 18.666 1.00 0.00 O ATOM 1089 CB HIS A 68 25.743 34.625 18.929 1.00 0.00 C ATOM 1090 CG HIS A 68 24.296 34.601 18.519 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.572 35.765 18.299 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.426 33.566 18.280 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.323 35.405 17.944 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.185 34.079 17.918 1.00 0.00 N ATOM 0 H HIS A 68 25.450 32.660 17.290 1.00 0.00 H new ATOM 0 HA HIS A 68 26.742 35.334 17.155 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.933 33.853 19.675 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.985 35.582 19.392 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.668 32.517 18.361 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.533 36.103 17.710 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.345 33.551 17.682 1.00 0.00 H new ATOM 1103 N LEU A 69 29.022 34.668 18.012 1.00 0.00 N ATOM 1104 CA LEU A 69 30.380 34.221 18.452 1.00 0.00 C ATOM 1105 C LEU A 69 30.799 34.993 19.704 1.00 0.00 C ATOM 1106 O LEU A 69 30.954 36.200 19.675 1.00 0.00 O ATOM 1107 CB LEU A 69 31.388 34.484 17.323 1.00 0.00 C ATOM 1108 CG LEU A 69 32.802 33.971 17.724 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.486 33.319 16.517 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.681 35.137 18.206 1.00 0.00 C ATOM 0 H LEU A 69 28.986 35.601 17.600 1.00 0.00 H new ATOM 0 HA LEU A 69 30.356 33.156 18.682 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.059 33.986 16.411 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.430 35.551 17.106 1.00 0.00 H new ATOM 0 HG LEU A 69 32.682 33.244 18.527 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.475 32.963 16.807 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.886 32.479 16.169 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.585 34.051 15.715 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.666 34.760 18.482 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.784 35.870 17.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.217 35.609 19.072 1.00 0.00 H new ATOM 1122 N VAL A 70 30.993 34.302 20.803 1.00 0.00 N ATOM 1123 CA VAL A 70 31.413 34.975 22.077 1.00 0.00 C ATOM 1124 C VAL A 70 32.801 34.463 22.476 1.00 0.00 C ATOM 1125 O VAL A 70 33.135 33.315 22.249 1.00 0.00 O ATOM 1126 CB VAL A 70 30.400 34.645 23.174 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.796 35.358 24.463 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.006 35.116 22.741 1.00 0.00 C ATOM 0 H VAL A 70 30.877 33.291 20.873 1.00 0.00 H new ATOM 0 HA VAL A 70 31.452 36.055 21.938 1.00 0.00 H new ATOM 0 HB VAL A 70 30.386 33.568 23.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.074 35.123 25.245 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.787 35.026 24.772 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.810 36.435 24.294 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.283 34.881 23.523 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.022 36.193 22.573 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.721 34.609 21.819 1.00 0.00 H new ATOM 1138 N LEU A 71 33.622 35.304 23.061 1.00 0.00 N ATOM 1139 CA LEU A 71 34.988 34.856 23.457 1.00 0.00 C ATOM 1140 C LEU A 71 34.931 34.130 24.790 1.00 0.00 C ATOM 1141 O LEU A 71 34.914 32.921 24.835 1.00 0.00 O ATOM 1142 CB LEU A 71 35.918 36.070 23.576 1.00 0.00 C ATOM 1143 CG LEU A 71 36.377 36.501 22.180 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.157 36.768 21.295 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.222 37.774 22.298 1.00 0.00 C ATOM 0 H LEU A 71 33.403 36.276 23.279 1.00 0.00 H new ATOM 0 HA LEU A 71 35.372 34.178 22.695 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.399 36.892 24.070 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.781 35.821 24.193 1.00 0.00 H new ATOM 0 HG LEU A 71 36.975 35.708 21.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.488 37.074 20.303 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.560 35.859 21.214 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.553 37.561 21.737 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.551 38.085 21.307 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.624 38.567 22.747 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.092 37.576 22.924 1.00 0.00 H new