USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0316) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.13 (180deg=0.9) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.479 USER MOD Single : A 20 SER OG : rot 180:sc= 0.013 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 25 ASN : amide:sc= 0.781 K(o=0.78,f=-0.37) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0.904 (180deg=-0.0697!) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.972 (180deg=0.916) USER MOD Single : A 31 GLN : amide:sc= -0.894 X(o=-0.89,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.13) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -51:sc= 1.19 USER MOD Single : A 57 SER OG : rot 83:sc= 1.1 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.692 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) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc=-0.00335 (180deg=-0.116) USER MOD Single : A 65 SER OG : rot 102:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.990 51.603 19.837 1.00 0.00 N ATOM 2 CA MET A 1 33.197 51.469 21.288 1.00 0.00 C ATOM 3 C MET A 1 34.621 51.902 21.644 1.00 0.00 C ATOM 4 O MET A 1 35.571 51.419 21.032 1.00 0.00 O ATOM 5 CB MET A 1 32.900 50.048 21.759 1.00 0.00 C ATOM 6 CG MET A 1 32.756 49.938 23.275 1.00 0.00 C ATOM 7 SD MET A 1 32.433 48.251 23.845 1.00 0.00 S ATOM 8 CE MET A 1 34.072 47.506 23.657 1.00 0.00 C ATOM 0 H1 MET A 1 31.971 51.592 19.629 1.00 0.00 H new ATOM 0 H2 MET A 1 33.401 52.501 19.509 1.00 0.00 H new ATOM 0 H3 MET A 1 33.452 50.811 19.346 1.00 0.00 H new ATOM 0 HA MET A 1 32.498 52.123 21.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.982 49.699 21.286 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.700 49.387 21.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.668 50.305 23.747 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.944 50.586 23.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.057 46.490 24.052 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.341 47.481 22.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.806 48.098 24.205 1.00 0.00 H new ATOM 20 N GLN A 2 34.768 52.808 22.607 1.00 0.00 N ATOM 21 CA GLN A 2 36.031 53.399 23.000 1.00 0.00 C ATOM 22 C GLN A 2 36.724 52.574 24.086 1.00 0.00 C ATOM 23 O GLN A 2 36.117 52.262 25.108 1.00 0.00 O ATOM 24 CB GLN A 2 35.783 54.835 23.452 1.00 0.00 C ATOM 25 CG GLN A 2 37.048 55.646 23.707 1.00 0.00 C ATOM 26 CD GLN A 2 36.745 57.068 24.184 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.981 57.443 25.329 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.195 57.933 23.335 1.00 0.00 N ATOM 0 H GLN A 2 33.979 53.159 23.150 1.00 0.00 H new ATOM 0 HA GLN A 2 36.707 53.406 22.145 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.188 55.343 22.693 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.188 54.817 24.365 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.657 55.138 24.454 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.638 55.691 22.791 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.989 57.647 22.378 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.980 58.882 23.642 1.00 0.00 H new ATOM 37 N ILE A 3 38.004 52.271 23.880 1.00 0.00 N ATOM 38 CA ILE A 3 38.879 51.599 24.818 1.00 0.00 C ATOM 39 C ILE A 3 40.253 52.271 24.841 1.00 0.00 C ATOM 40 O ILE A 3 40.587 53.059 23.958 1.00 0.00 O ATOM 41 CB ILE A 3 38.993 50.109 24.509 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.538 49.835 23.110 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.654 49.412 24.739 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.947 48.384 22.873 1.00 0.00 C ATOM 0 H ILE A 3 38.476 52.503 23.006 1.00 0.00 H new ATOM 0 HA ILE A 3 38.440 51.686 25.812 1.00 0.00 H new ATOM 0 HB ILE A 3 39.724 49.691 25.201 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.781 50.112 22.376 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.401 50.477 22.936 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.753 48.350 24.514 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.353 49.536 25.779 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.898 49.852 24.088 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.323 48.273 21.856 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.728 48.106 23.581 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.083 47.735 23.013 1.00 0.00 H new ATOM 56 N PHE A 4 41.081 51.923 25.822 1.00 0.00 N ATOM 57 CA PHE A 4 42.425 52.440 25.982 1.00 0.00 C ATOM 58 C PHE A 4 43.445 51.305 26.105 1.00 0.00 C ATOM 59 O PHE A 4 43.146 50.254 26.668 1.00 0.00 O ATOM 60 CB PHE A 4 42.487 53.345 27.210 1.00 0.00 C ATOM 61 CG PHE A 4 41.442 54.433 27.260 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.636 55.625 26.550 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.274 54.247 28.009 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.663 56.630 26.597 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.298 55.252 28.049 1.00 0.00 C ATOM 66 CZ PHE A 4 39.492 56.444 27.343 1.00 0.00 C ATOM 0 H PHE A 4 40.822 51.253 26.546 1.00 0.00 H new ATOM 0 HA PHE A 4 42.678 53.020 25.094 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.388 52.727 28.102 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.473 53.808 27.251 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.534 55.768 25.968 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.125 53.328 28.557 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.816 57.552 26.056 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.396 55.106 28.625 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.741 57.219 27.373 1.00 0.00 H new ATOM 76 N VAL A 5 44.663 51.523 25.620 1.00 0.00 N ATOM 77 CA VAL A 5 45.788 50.620 25.764 1.00 0.00 C ATOM 78 C VAL A 5 46.948 51.357 26.437 1.00 0.00 C ATOM 79 O VAL A 5 47.410 52.373 25.922 1.00 0.00 O ATOM 80 CB VAL A 5 46.205 50.036 24.418 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.337 49.027 24.586 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.047 49.323 23.726 1.00 0.00 C ATOM 0 H VAL A 5 44.897 52.367 25.097 1.00 0.00 H new ATOM 0 HA VAL A 5 45.491 49.781 26.394 1.00 0.00 H new ATOM 0 HB VAL A 5 46.533 50.878 23.809 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.615 48.626 23.611 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.200 49.519 25.035 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.007 48.214 25.232 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.386 48.921 22.771 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.692 48.508 24.357 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.235 50.029 23.555 1.00 0.00 H new ATOM 92 N LYS A 6 47.421 50.852 27.572 1.00 0.00 N ATOM 93 CA LYS A 6 48.527 51.382 28.344 1.00 0.00 C ATOM 94 C LYS A 6 49.808 50.579 28.112 1.00 0.00 C ATOM 95 O LYS A 6 49.772 49.351 28.081 1.00 0.00 O ATOM 96 CB LYS A 6 48.116 51.459 29.812 1.00 0.00 C ATOM 97 CG LYS A 6 49.165 52.119 30.701 1.00 0.00 C ATOM 98 CD LYS A 6 48.615 52.354 32.105 1.00 0.00 C ATOM 99 CE LYS A 6 49.695 52.936 33.014 1.00 0.00 C ATOM 100 NZ LYS A 6 49.164 53.206 34.359 1.00 0.00 N ATOM 0 H LYS A 6 47.017 50.017 27.996 1.00 0.00 H new ATOM 0 HA LYS A 6 48.762 52.393 28.010 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.182 52.015 29.891 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.920 50.452 30.180 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.052 51.488 30.754 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.474 53.068 30.263 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.765 53.035 32.059 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.250 51.415 32.520 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.531 52.240 33.082 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.082 53.858 32.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.918 53.601 34.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.381 53.888 34.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.817 52.320 34.779 1.00 0.00 H new ATOM 168 N LYS A 11 52.759 55.321 28.426 1.00 0.00 N ATOM 169 CA LYS A 11 51.948 55.981 27.423 1.00 0.00 C ATOM 170 C LYS A 11 50.572 55.313 27.378 1.00 0.00 C ATOM 171 O LYS A 11 50.488 54.102 27.569 1.00 0.00 O ATOM 172 CB LYS A 11 52.671 55.935 26.080 1.00 0.00 C ATOM 173 CG LYS A 11 52.060 56.843 25.016 1.00 0.00 C ATOM 174 CD LYS A 11 52.855 56.764 23.716 1.00 0.00 C ATOM 175 CE LYS A 11 52.291 57.627 22.592 1.00 0.00 C ATOM 176 NZ LYS A 11 52.350 59.070 22.869 1.00 0.00 N ATOM 0 HA LYS A 11 51.795 57.031 27.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.713 56.218 26.230 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.669 54.909 25.712 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.026 56.552 24.833 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.043 57.872 25.375 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.884 57.067 23.912 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.886 55.726 23.383 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.842 57.419 21.675 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.254 57.342 22.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.951 59.595 22.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.801 59.282 23.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.340 59.356 23.012 1.00 0.00 H new ATOM 190 N THR A 12 49.514 56.071 27.105 1.00 0.00 N ATOM 191 CA THR A 12 48.187 55.543 26.853 1.00 0.00 C ATOM 192 C THR A 12 47.728 55.910 25.441 1.00 0.00 C ATOM 193 O THR A 12 47.943 57.028 24.977 1.00 0.00 O ATOM 194 CB THR A 12 47.186 55.978 27.918 1.00 0.00 C ATOM 195 OG1 THR A 12 47.603 55.566 29.201 1.00 0.00 O ATOM 196 CG2 THR A 12 45.804 55.360 27.720 1.00 0.00 C ATOM 0 H THR A 12 49.561 57.089 27.053 1.00 0.00 H new ATOM 0 HA THR A 12 48.238 54.456 26.915 1.00 0.00 H new ATOM 0 HB THR A 12 47.134 57.063 27.828 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.947 55.858 29.868 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.135 55.706 28.508 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.408 55.659 26.750 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.882 54.274 27.761 1.00 0.00 H new ATOM 204 N ILE A 13 47.110 54.952 24.756 1.00 0.00 N ATOM 205 CA ILE A 13 46.639 55.044 23.388 1.00 0.00 C ATOM 206 C ILE A 13 45.138 54.755 23.361 1.00 0.00 C ATOM 207 O ILE A 13 44.712 53.672 23.759 1.00 0.00 O ATOM 208 CB ILE A 13 47.418 54.107 22.469 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.924 54.348 22.454 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.912 54.262 21.038 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.726 53.582 23.503 1.00 0.00 C ATOM 0 H ILE A 13 46.916 54.040 25.170 1.00 0.00 H new ATOM 0 HA ILE A 13 46.810 56.052 23.011 1.00 0.00 H new ATOM 0 HB ILE A 13 47.251 53.105 22.865 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.306 54.085 21.468 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.104 55.414 22.592 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.468 53.593 20.381 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.852 54.012 20.998 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.054 55.292 20.711 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.783 53.827 23.403 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.382 53.860 24.499 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.586 52.511 23.357 1.00 0.00 H new ATOM 223 N THR A 14 44.323 55.695 22.889 1.00 0.00 N ATOM 224 CA THR A 14 42.897 55.513 22.706 1.00 0.00 C ATOM 225 C THR A 14 42.610 54.815 21.376 1.00 0.00 C ATOM 226 O THR A 14 43.149 55.220 20.348 1.00 0.00 O ATOM 227 CB THR A 14 42.143 56.840 22.750 1.00 0.00 C ATOM 228 OG1 THR A 14 42.509 57.583 23.892 1.00 0.00 O ATOM 229 CG2 THR A 14 40.631 56.651 22.816 1.00 0.00 C ATOM 0 H THR A 14 44.649 56.623 22.619 1.00 0.00 H new ATOM 0 HA THR A 14 42.548 54.892 23.531 1.00 0.00 H new ATOM 0 HB THR A 14 42.409 57.361 21.830 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.087 57.192 24.686 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.143 57.625 22.845 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.294 56.103 21.936 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.373 56.089 23.714 1.00 0.00 H new ATOM 237 N LEU A 15 41.753 53.798 21.376 1.00 0.00 N ATOM 238 CA LEU A 15 41.320 53.068 20.201 1.00 0.00 C ATOM 239 C LEU A 15 39.799 52.901 20.164 1.00 0.00 C ATOM 240 O LEU A 15 39.144 52.900 21.204 1.00 0.00 O ATOM 241 CB LEU A 15 42.007 51.706 20.150 1.00 0.00 C ATOM 242 CG LEU A 15 43.528 51.728 20.030 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.070 50.304 20.117 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.006 52.321 18.707 1.00 0.00 C ATOM 0 H LEU A 15 41.326 53.450 22.234 1.00 0.00 H new ATOM 0 HA LEU A 15 41.605 53.648 19.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.741 51.153 21.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.604 51.149 19.304 1.00 0.00 H new ATOM 0 HG LEU A 15 43.894 52.352 20.845 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.156 50.322 20.031 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.789 49.866 21.075 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.652 49.706 19.308 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.096 52.311 18.677 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.615 51.728 17.880 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.650 53.347 18.618 1.00 0.00 H new ATOM 256 N GLU A 16 39.241 52.737 18.969 1.00 0.00 N ATOM 257 CA GLU A 16 37.817 52.572 18.760 1.00 0.00 C ATOM 258 C GLU A 16 37.494 51.395 17.839 1.00 0.00 C ATOM 259 O GLU A 16 37.931 51.335 16.692 1.00 0.00 O ATOM 260 CB GLU A 16 37.183 53.872 18.272 1.00 0.00 C ATOM 261 CG GLU A 16 37.363 55.011 19.272 1.00 0.00 C ATOM 262 CD GLU A 16 36.520 56.234 18.901 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.290 56.199 19.120 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.086 57.241 18.425 1.00 0.00 O ATOM 0 H GLU A 16 39.782 52.715 18.105 1.00 0.00 H new ATOM 0 HA GLU A 16 37.374 52.329 19.726 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.627 54.155 17.318 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.120 53.711 18.094 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.085 54.667 20.268 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.415 55.294 19.315 1.00 0.00 H new ATOM 271 N VAL A 17 36.738 50.433 18.360 1.00 0.00 N ATOM 272 CA VAL A 17 36.382 49.175 17.737 1.00 0.00 C ATOM 273 C VAL A 17 34.968 48.747 18.132 1.00 0.00 C ATOM 274 O VAL A 17 34.391 49.282 19.075 1.00 0.00 O ATOM 275 CB VAL A 17 37.380 48.072 18.082 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.726 48.265 17.391 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.618 47.899 19.580 1.00 0.00 C ATOM 0 H VAL A 17 36.334 50.524 19.292 1.00 0.00 H new ATOM 0 HA VAL A 17 36.412 49.333 16.659 1.00 0.00 H new ATOM 0 HB VAL A 17 36.905 47.164 17.709 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.398 47.454 17.670 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.584 48.262 16.310 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.159 49.217 17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.338 47.097 19.744 1.00 0.00 H new ATOM 0 HG22 VAL A 17 38.008 48.828 19.996 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.678 47.648 20.071 1.00 0.00 H new ATOM 287 N GLU A 18 34.388 47.769 17.440 1.00 0.00 N ATOM 288 CA GLU A 18 33.158 47.132 17.866 1.00 0.00 C ATOM 289 C GLU A 18 33.445 45.951 18.796 1.00 0.00 C ATOM 290 O GLU A 18 34.527 45.372 18.723 1.00 0.00 O ATOM 291 CB GLU A 18 32.366 46.647 16.655 1.00 0.00 C ATOM 292 CG GLU A 18 32.144 47.673 15.547 1.00 0.00 C ATOM 293 CD GLU A 18 31.517 48.975 16.051 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.438 48.920 16.679 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.075 50.065 15.798 1.00 0.00 O ATOM 0 H GLU A 18 34.764 47.400 16.567 1.00 0.00 H new ATOM 0 HA GLU A 18 32.570 47.871 18.411 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.882 45.787 16.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.393 46.296 16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.099 47.897 15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.500 47.239 14.782 1.00 0.00 H new ATOM 302 N PRO A 19 32.490 45.491 19.599 1.00 0.00 N ATOM 303 CA PRO A 19 32.613 44.247 20.332 1.00 0.00 C ATOM 304 C PRO A 19 32.850 43.014 19.457 1.00 0.00 C ATOM 305 O PRO A 19 33.299 41.984 19.955 1.00 0.00 O ATOM 306 CB PRO A 19 31.324 44.113 21.135 1.00 0.00 C ATOM 307 CG PRO A 19 30.832 45.549 21.287 1.00 0.00 C ATOM 308 CD PRO A 19 31.257 46.162 19.956 1.00 0.00 C ATOM 0 HA PRO A 19 33.501 44.287 20.963 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.593 43.494 20.616 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.504 43.648 22.104 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.753 45.599 21.435 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.294 46.053 22.136 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.493 46.012 19.193 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.408 47.237 20.049 1.00 0.00 H new ATOM 316 N SER A 20 32.536 43.111 18.168 1.00 0.00 N ATOM 317 CA SER A 20 32.738 42.114 17.137 1.00 0.00 C ATOM 318 C SER A 20 34.109 42.129 16.459 1.00 0.00 C ATOM 319 O SER A 20 34.406 41.214 15.694 1.00 0.00 O ATOM 320 CB SER A 20 31.635 42.259 16.092 1.00 0.00 C ATOM 321 OG SER A 20 31.570 43.570 15.575 1.00 0.00 O ATOM 0 H SER A 20 32.101 43.955 17.796 1.00 0.00 H new ATOM 0 HA SER A 20 32.696 41.149 17.643 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.811 41.556 15.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.676 41.996 16.538 1.00 0.00 H new ATOM 0 HG SER A 20 30.854 43.624 14.908 1.00 0.00 H new ATOM 327 N ASP A 21 34.963 43.119 16.705 1.00 0.00 N ATOM 328 CA ASP A 21 36.321 43.127 16.201 1.00 0.00 C ATOM 329 C ASP A 21 37.196 42.090 16.910 1.00 0.00 C ATOM 330 O ASP A 21 36.975 41.752 18.070 1.00 0.00 O ATOM 331 CB ASP A 21 36.932 44.521 16.309 1.00 0.00 C ATOM 332 CG ASP A 21 36.512 45.453 15.171 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.232 45.493 14.150 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.498 46.174 15.288 1.00 0.00 O ATOM 0 H ASP A 21 34.725 43.939 17.263 1.00 0.00 H new ATOM 0 HA ASP A 21 36.280 42.851 15.147 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.640 44.966 17.260 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.019 44.435 16.317 1.00 0.00 H new ATOM 339 N THR A 22 38.216 41.583 16.224 1.00 0.00 N ATOM 340 CA THR A 22 39.132 40.604 16.774 1.00 0.00 C ATOM 341 C THR A 22 40.226 41.241 17.633 1.00 0.00 C ATOM 342 O THR A 22 40.570 42.411 17.474 1.00 0.00 O ATOM 343 CB THR A 22 39.749 39.711 15.701 1.00 0.00 C ATOM 344 OG1 THR A 22 40.596 40.444 14.845 1.00 0.00 O ATOM 345 CG2 THR A 22 38.703 39.016 14.834 1.00 0.00 C ATOM 0 H THR A 22 38.427 41.847 15.262 1.00 0.00 H new ATOM 0 HA THR A 22 38.525 39.973 17.423 1.00 0.00 H new ATOM 0 HB THR A 22 40.316 38.958 16.249 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.977 39.844 14.170 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.202 38.395 14.090 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.068 38.391 15.461 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.091 39.765 14.331 1.00 0.00 H new ATOM 353 N ILE A 23 40.843 40.450 18.505 1.00 0.00 N ATOM 354 CA ILE A 23 42.030 40.847 19.233 1.00 0.00 C ATOM 355 C ILE A 23 43.180 41.176 18.279 1.00 0.00 C ATOM 356 O ILE A 23 43.959 42.095 18.523 1.00 0.00 O ATOM 357 CB ILE A 23 42.391 39.757 20.239 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.295 39.488 21.267 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.710 40.032 20.956 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.838 40.684 22.096 1.00 0.00 C ATOM 0 H ILE A 23 40.525 39.506 18.724 1.00 0.00 H new ATOM 0 HA ILE A 23 41.830 41.764 19.787 1.00 0.00 H new ATOM 0 HB ILE A 23 42.504 38.858 19.633 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.428 39.082 20.745 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.648 38.714 21.949 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.917 39.225 21.659 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.516 40.092 20.225 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.640 40.976 21.497 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.058 40.369 22.790 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.683 41.082 22.657 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.445 41.456 21.435 1.00 0.00 H new ATOM 372 N GLU A 24 43.252 40.492 17.140 1.00 0.00 N ATOM 373 CA GLU A 24 44.225 40.743 16.097 1.00 0.00 C ATOM 374 C GLU A 24 44.025 42.100 15.419 1.00 0.00 C ATOM 375 O GLU A 24 45.010 42.787 15.160 1.00 0.00 O ATOM 376 CB GLU A 24 44.156 39.568 15.126 1.00 0.00 C ATOM 377 CG GLU A 24 45.315 39.489 14.137 1.00 0.00 C ATOM 378 CD GLU A 24 45.161 38.305 13.179 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.065 38.111 12.610 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.134 37.548 12.974 1.00 0.00 O ATOM 0 H GLU A 24 42.614 39.728 16.917 1.00 0.00 H new ATOM 0 HA GLU A 24 45.227 40.810 16.522 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.122 38.642 15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.223 39.631 14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.369 40.415 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.254 39.396 14.683 1.00 0.00 H new ATOM 387 N ASN A 25 42.789 42.547 15.217 1.00 0.00 N ATOM 388 CA ASN A 25 42.484 43.877 14.727 1.00 0.00 C ATOM 389 C ASN A 25 43.030 44.962 15.656 1.00 0.00 C ATOM 390 O ASN A 25 43.619 45.932 15.183 1.00 0.00 O ATOM 391 CB ASN A 25 40.983 44.082 14.539 1.00 0.00 C ATOM 392 CG ASN A 25 40.347 43.336 13.366 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.994 42.613 12.610 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.044 43.510 13.163 1.00 0.00 N ATOM 0 H ASN A 25 41.960 41.980 15.394 1.00 0.00 H new ATOM 0 HA ASN A 25 42.974 43.964 13.757 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.477 43.777 15.455 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.795 45.148 14.411 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.583 43.044 12.381 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.506 44.109 13.789 1.00 0.00 H new ATOM 401 N VAL A 26 42.879 44.807 16.969 1.00 0.00 N ATOM 402 CA VAL A 26 43.388 45.756 17.939 1.00 0.00 C ATOM 403 C VAL A 26 44.909 45.887 17.833 1.00 0.00 C ATOM 404 O VAL A 26 45.409 47.009 17.801 1.00 0.00 O ATOM 405 CB VAL A 26 42.955 45.405 19.359 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.463 46.417 20.381 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.435 45.366 19.495 1.00 0.00 C ATOM 0 H VAL A 26 42.396 44.012 17.386 1.00 0.00 H new ATOM 0 HA VAL A 26 42.952 46.727 17.705 1.00 0.00 H new ATOM 0 HB VAL A 26 43.384 44.422 19.554 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.130 46.126 21.377 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.552 46.444 20.356 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.070 47.405 20.141 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.168 45.113 20.521 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.022 46.343 19.243 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.028 44.615 18.818 1.00 0.00 H new ATOM 417 N LYS A 27 45.638 44.788 17.667 1.00 0.00 N ATOM 418 CA LYS A 27 47.071 44.822 17.455 1.00 0.00 C ATOM 419 C LYS A 27 47.465 45.568 16.178 1.00 0.00 C ATOM 420 O LYS A 27 48.460 46.289 16.186 1.00 0.00 O ATOM 421 CB LYS A 27 47.663 43.416 17.432 1.00 0.00 C ATOM 422 CG LYS A 27 47.568 42.683 18.767 1.00 0.00 C ATOM 423 CD LYS A 27 48.194 41.298 18.638 1.00 0.00 C ATOM 424 CE LYS A 27 48.158 40.568 19.978 1.00 0.00 C ATOM 425 NZ LYS A 27 48.635 39.186 19.829 1.00 0.00 N ATOM 0 H LYS A 27 45.244 43.847 17.677 1.00 0.00 H new ATOM 0 HA LYS A 27 47.484 45.372 18.300 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.151 42.829 16.669 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.710 43.478 17.137 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.079 43.253 19.543 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.525 42.595 19.071 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.657 40.718 17.887 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.224 41.389 18.294 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.778 41.096 20.702 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.141 40.567 20.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.243 38.599 20.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.327 38.810 18.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.674 39.170 19.879 1.00 0.00 H new ATOM 439 N ALA A 28 46.686 45.450 15.106 1.00 0.00 N ATOM 440 CA ALA A 28 46.939 46.171 13.875 1.00 0.00 C ATOM 441 C ALA A 28 46.762 47.683 14.022 1.00 0.00 C ATOM 442 O ALA A 28 47.538 48.439 13.440 1.00 0.00 O ATOM 443 CB ALA A 28 46.046 45.602 12.776 1.00 0.00 C ATOM 0 H ALA A 28 45.862 44.850 15.073 1.00 0.00 H new ATOM 0 HA ALA A 28 47.986 46.030 13.605 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.229 46.138 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.270 44.545 12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.000 45.716 13.061 1.00 0.00 H new ATOM 449 N LYS A 29 45.821 48.148 14.839 1.00 0.00 N ATOM 450 CA LYS A 29 45.679 49.557 15.146 1.00 0.00 C ATOM 451 C LYS A 29 46.823 50.089 16.011 1.00 0.00 C ATOM 452 O LYS A 29 47.302 51.196 15.778 1.00 0.00 O ATOM 453 CB LYS A 29 44.329 49.871 15.786 1.00 0.00 C ATOM 454 CG LYS A 29 43.125 49.482 14.934 1.00 0.00 C ATOM 455 CD LYS A 29 41.900 50.329 15.269 1.00 0.00 C ATOM 456 CE LYS A 29 40.721 49.944 14.380 1.00 0.00 C ATOM 457 NZ LYS A 29 39.613 50.907 14.468 1.00 0.00 N ATOM 0 H LYS A 29 45.137 47.552 15.305 1.00 0.00 H new ATOM 0 HA LYS A 29 45.727 50.076 14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.265 49.353 16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.280 50.939 15.997 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.372 49.600 13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.893 48.429 15.091 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.632 50.192 16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 29 42.134 51.385 15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.057 49.875 13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.362 48.955 14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.904 50.688 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.173 50.845 15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.977 51.870 14.319 1.00 0.00 H new ATOM 471 N ILE A 30 47.324 49.291 16.950 1.00 0.00 N ATOM 472 CA ILE A 30 48.506 49.600 17.729 1.00 0.00 C ATOM 473 C ILE A 30 49.739 49.720 16.832 1.00 0.00 C ATOM 474 O ILE A 30 50.542 50.628 17.038 1.00 0.00 O ATOM 475 CB ILE A 30 48.699 48.587 18.854 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.560 48.661 19.867 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.031 48.778 19.574 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.484 47.467 20.815 1.00 0.00 C ATOM 0 H ILE A 30 46.905 48.393 17.191 1.00 0.00 H new ATOM 0 HA ILE A 30 48.364 50.573 18.200 1.00 0.00 H new ATOM 0 HB ILE A 30 48.699 47.603 18.386 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.672 49.571 20.456 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.616 48.744 19.329 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.126 48.036 20.367 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.849 48.657 18.864 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.071 49.778 20.006 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.648 47.600 21.501 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.339 46.553 20.239 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.411 47.394 21.383 1.00 0.00 H new ATOM 490 N GLN A 31 49.874 48.892 15.799 1.00 0.00 N ATOM 491 CA GLN A 31 50.926 49.058 14.817 1.00 0.00 C ATOM 492 C GLN A 31 50.801 50.380 14.057 1.00 0.00 C ATOM 493 O GLN A 31 51.815 51.036 13.829 1.00 0.00 O ATOM 494 CB GLN A 31 50.963 47.875 13.851 1.00 0.00 C ATOM 495 CG GLN A 31 52.232 47.900 13.005 1.00 0.00 C ATOM 496 CD GLN A 31 52.354 46.733 12.022 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.390 46.048 11.687 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.553 46.468 11.512 1.00 0.00 N ATOM 0 H GLN A 31 49.260 48.096 15.626 1.00 0.00 H new ATOM 0 HA GLN A 31 51.870 49.088 15.361 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.914 46.941 14.412 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.088 47.904 13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.265 48.836 12.447 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.097 47.894 13.668 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.359 47.031 11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.667 45.702 10.849 1.00 0.00 H new ATOM 507 N ASP A 32 49.599 50.815 13.692 1.00 0.00 N ATOM 508 CA ASP A 32 49.439 52.065 12.977 1.00 0.00 C ATOM 509 C ASP A 32 49.754 53.292 13.835 1.00 0.00 C ATOM 510 O ASP A 32 50.429 54.197 13.350 1.00 0.00 O ATOM 511 CB ASP A 32 48.058 52.158 12.334 1.00 0.00 C ATOM 512 CG ASP A 32 48.059 53.189 11.204 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.696 52.931 10.159 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.464 54.278 11.350 1.00 0.00 O ATOM 0 H ASP A 32 48.728 50.319 13.881 1.00 0.00 H new ATOM 0 HA ASP A 32 50.181 52.065 12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.766 51.183 11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.319 52.435 13.086 1.00 0.00 H new ATOM 519 N LYS A 33 49.330 53.325 15.095 1.00 0.00 N ATOM 520 CA LYS A 33 49.617 54.430 15.987 1.00 0.00 C ATOM 521 C LYS A 33 51.050 54.453 16.520 1.00 0.00 C ATOM 522 O LYS A 33 51.657 55.523 16.529 1.00 0.00 O ATOM 523 CB LYS A 33 48.588 54.538 17.108 1.00 0.00 C ATOM 524 CG LYS A 33 47.254 55.086 16.611 1.00 0.00 C ATOM 525 CD LYS A 33 46.310 55.488 17.741 1.00 0.00 C ATOM 526 CE LYS A 33 45.029 56.103 17.187 1.00 0.00 C ATOM 527 NZ LYS A 33 44.228 56.743 18.243 1.00 0.00 N ATOM 0 H LYS A 33 48.777 52.582 15.522 1.00 0.00 H new ATOM 0 HA LYS A 33 49.532 55.324 15.369 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.433 53.555 17.553 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.975 55.186 17.894 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.439 55.952 15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.768 54.333 15.991 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.067 54.614 18.345 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.806 56.202 18.398 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.280 56.840 16.424 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.436 55.329 16.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.400 57.207 17.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.910 56.023 18.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.807 57.452 18.736 1.00 0.00 H new ATOM 541 N GLU A 34 51.613 53.326 16.947 1.00 0.00 N ATOM 542 CA GLU A 34 52.882 53.254 17.643 1.00 0.00 C ATOM 543 C GLU A 34 54.004 52.558 16.871 1.00 0.00 C ATOM 544 O GLU A 34 55.152 52.603 17.309 1.00 0.00 O ATOM 545 CB GLU A 34 52.685 52.598 19.007 1.00 0.00 C ATOM 546 CG GLU A 34 51.817 53.385 19.983 1.00 0.00 C ATOM 547 CD GLU A 34 52.456 54.701 20.429 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.546 54.666 21.041 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.880 55.777 20.158 1.00 0.00 O ATOM 0 H GLU A 34 51.180 52.412 16.811 1.00 0.00 H new ATOM 0 HA GLU A 34 53.217 54.285 17.756 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.239 51.615 18.859 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.663 52.439 19.461 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.855 53.595 19.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.618 52.769 20.860 1.00 0.00 H new ATOM 556 N GLY A 35 53.738 51.915 15.738 1.00 0.00 N ATOM 557 CA GLY A 35 54.742 51.273 14.913 1.00 0.00 C ATOM 558 C GLY A 35 55.158 49.864 15.340 1.00 0.00 C ATOM 559 O GLY A 35 56.025 49.265 14.706 1.00 0.00 O ATOM 0 H GLY A 35 52.793 51.827 15.364 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.368 51.226 13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.630 51.904 14.899 1.00 0.00 H new ATOM 563 N ILE A 36 54.545 49.327 16.390 1.00 0.00 N ATOM 564 CA ILE A 36 54.916 48.089 17.046 1.00 0.00 C ATOM 565 C ILE A 36 54.397 46.902 16.234 1.00 0.00 C ATOM 566 O ILE A 36 53.181 46.777 16.105 1.00 0.00 O ATOM 567 CB ILE A 36 54.370 48.057 18.471 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.733 49.306 19.268 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.877 46.810 19.191 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.053 49.417 20.630 1.00 0.00 C ATOM 0 H ILE A 36 53.736 49.770 16.824 1.00 0.00 H new ATOM 0 HA ILE A 36 56.003 48.024 17.103 1.00 0.00 H new ATOM 0 HB ILE A 36 53.283 48.030 18.400 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.813 49.325 19.414 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.476 50.185 18.677 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.484 46.792 20.208 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.543 45.920 18.657 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.966 46.826 19.223 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.372 50.336 21.122 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.971 49.434 20.496 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.329 48.561 21.246 1.00 0.00 H new ATOM 582 N PRO A 37 55.229 46.003 15.716 1.00 0.00 N ATOM 583 CA PRO A 37 54.762 44.889 14.915 1.00 0.00 C ATOM 584 C PRO A 37 53.884 43.930 15.719 1.00 0.00 C ATOM 585 O PRO A 37 54.290 43.546 16.814 1.00 0.00 O ATOM 586 CB PRO A 37 56.003 44.193 14.363 1.00 0.00 C ATOM 587 CG PRO A 37 57.096 45.252 14.473 1.00 0.00 C ATOM 588 CD PRO A 37 56.678 46.034 15.715 1.00 0.00 C ATOM 0 HA PRO A 37 54.127 45.245 14.104 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.251 43.302 14.939 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.857 43.875 13.331 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.083 44.805 14.589 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.135 45.887 13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.082 45.580 16.620 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.050 47.058 15.679 1.00 0.00 H new ATOM 596 N PRO A 38 52.715 43.512 15.243 1.00 0.00 N ATOM 597 CA PRO A 38 51.796 42.663 15.977 1.00 0.00 C ATOM 598 C PRO A 38 52.376 41.355 16.519 1.00 0.00 C ATOM 599 O PRO A 38 51.958 40.915 17.587 1.00 0.00 O ATOM 600 CB PRO A 38 50.653 42.372 15.009 1.00 0.00 C ATOM 601 CG PRO A 38 50.573 43.661 14.195 1.00 0.00 C ATOM 602 CD PRO A 38 52.048 44.030 14.066 1.00 0.00 C ATOM 0 HA PRO A 38 51.493 43.192 16.881 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.864 41.507 14.380 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.720 42.165 15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.103 43.505 13.224 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.000 44.434 14.706 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.476 43.601 13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.171 45.111 13.996 1.00 0.00 H new ATOM 610 N ASP A 39 53.365 40.752 15.865 1.00 0.00 N ATOM 611 CA ASP A 39 54.039 39.572 16.367 1.00 0.00 C ATOM 612 C ASP A 39 54.755 39.825 17.695 1.00 0.00 C ATOM 613 O ASP A 39 54.867 38.926 18.525 1.00 0.00 O ATOM 614 CB ASP A 39 55.016 39.075 15.306 1.00 0.00 C ATOM 615 CG ASP A 39 55.744 37.785 15.692 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.982 37.740 15.535 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.103 36.799 16.115 1.00 0.00 O ATOM 0 H ASP A 39 53.719 41.076 14.965 1.00 0.00 H new ATOM 0 HA ASP A 39 53.288 38.808 16.570 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.474 38.910 14.375 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.754 39.853 15.112 1.00 0.00 H new ATOM 622 N GLN A 40 55.182 41.059 17.949 1.00 0.00 N ATOM 623 CA GLN A 40 55.824 41.477 19.180 1.00 0.00 C ATOM 624 C GLN A 40 54.829 41.826 20.288 1.00 0.00 C ATOM 625 O GLN A 40 55.257 42.033 21.421 1.00 0.00 O ATOM 626 CB GLN A 40 56.768 42.642 18.898 1.00 0.00 C ATOM 627 CG GLN A 40 57.785 42.349 17.800 1.00 0.00 C ATOM 628 CD GLN A 40 58.846 43.434 17.606 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.033 44.360 18.394 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.630 43.341 16.537 1.00 0.00 N ATOM 0 H GLN A 40 55.084 41.819 17.275 1.00 0.00 H new ATOM 0 HA GLN A 40 56.397 40.628 19.553 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.180 43.515 18.614 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.299 42.899 19.815 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.285 41.408 18.028 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.253 42.208 16.859 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.494 42.582 15.869 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.368 44.029 16.384 1.00 0.00 H new ATOM 639 N GLN A 41 53.531 41.889 20.010 1.00 0.00 N ATOM 640 CA GLN A 41 52.511 42.337 20.937 1.00 0.00 C ATOM 641 C GLN A 41 51.773 41.181 21.613 1.00 0.00 C ATOM 642 O GLN A 41 51.338 40.245 20.944 1.00 0.00 O ATOM 643 CB GLN A 41 51.485 43.217 20.228 1.00 0.00 C ATOM 644 CG GLN A 41 51.994 44.463 19.510 1.00 0.00 C ATOM 645 CD GLN A 41 50.836 45.225 18.862 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.730 45.282 19.396 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.992 45.815 17.680 1.00 0.00 N ATOM 0 H GLN A 41 53.153 41.620 19.102 1.00 0.00 H new ATOM 0 HA GLN A 41 53.035 42.905 21.706 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.961 42.600 19.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.747 43.533 20.966 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.511 45.111 20.218 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.720 44.179 18.748 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.897 45.786 17.211 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.206 46.297 17.243 1.00 0.00 H new ATOM 656 N ARG A 42 51.514 41.289 22.913 1.00 0.00 N ATOM 657 CA ARG A 42 50.519 40.533 23.645 1.00 0.00 C ATOM 658 C ARG A 42 49.595 41.500 24.388 1.00 0.00 C ATOM 659 O ARG A 42 50.071 42.508 24.908 1.00 0.00 O ATOM 660 CB ARG A 42 51.173 39.545 24.607 1.00 0.00 C ATOM 661 CG ARG A 42 52.133 38.545 23.969 1.00 0.00 C ATOM 662 CD ARG A 42 51.466 37.549 23.025 1.00 0.00 C ATOM 663 NE ARG A 42 52.441 36.666 22.385 1.00 0.00 N ATOM 664 CZ ARG A 42 53.139 36.901 21.266 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.072 38.050 20.580 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.973 35.958 20.806 1.00 0.00 N ATOM 0 H ARG A 42 52.022 41.942 23.509 1.00 0.00 H new ATOM 0 HA ARG A 42 49.928 39.948 22.940 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.715 40.109 25.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.388 38.991 25.121 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.898 39.093 23.419 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.643 37.994 24.759 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.744 36.950 23.580 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.910 38.091 22.260 1.00 0.00 H new ATOM 0 HE ARG A 42 52.608 35.770 22.843 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.465 38.803 20.904 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.628 38.172 19.733 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.070 35.075 21.307 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.511 36.124 19.955 1.00 0.00 H new ATOM 680 N LEU A 43 48.292 41.236 24.415 1.00 0.00 N ATOM 681 CA LEU A 43 47.307 42.121 25.002 1.00 0.00 C ATOM 682 C LEU A 43 46.658 41.500 26.241 1.00 0.00 C ATOM 683 O LEU A 43 46.233 40.347 26.203 1.00 0.00 O ATOM 684 CB LEU A 43 46.272 42.546 23.964 1.00 0.00 C ATOM 685 CG LEU A 43 46.831 43.283 22.751 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.695 43.690 21.816 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.606 44.549 23.107 1.00 0.00 C ATOM 0 H LEU A 43 47.890 40.385 24.021 1.00 0.00 H new ATOM 0 HA LEU A 43 47.822 43.021 25.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.743 41.658 23.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.536 43.186 24.450 1.00 0.00 H new ATOM 0 HG LEU A 43 47.519 42.584 22.276 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.104 44.215 20.953 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.164 42.800 21.480 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.005 44.346 22.346 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.973 45.019 22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.949 45.242 23.633 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.450 44.291 23.747 1.00 0.00 H new ATOM 699 N ILE A 44 46.589 42.274 27.320 1.00 0.00 N ATOM 700 CA ILE A 44 46.087 41.884 28.622 1.00 0.00 C ATOM 701 C ILE A 44 44.855 42.708 29.003 1.00 0.00 C ATOM 702 O ILE A 44 44.851 43.924 28.829 1.00 0.00 O ATOM 703 CB ILE A 44 47.178 42.032 29.678 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.538 41.443 29.315 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.731 41.477 31.027 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.580 39.947 29.019 1.00 0.00 C ATOM 0 H ILE A 44 46.901 43.245 27.302 1.00 0.00 H new ATOM 0 HA ILE A 44 45.790 40.836 28.573 1.00 0.00 H new ATOM 0 HB ILE A 44 47.327 43.110 29.736 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.916 41.973 28.441 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.227 41.647 30.135 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.533 41.599 31.755 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.847 42.016 31.367 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.493 40.418 30.924 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.601 39.653 28.775 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.242 39.393 29.895 1.00 0.00 H new ATOM 0 HD13 ILE A 44 47.927 39.725 28.175 1.00 0.00 H new ATOM 718 N PHE A 45 43.845 42.071 29.589 1.00 0.00 N ATOM 719 CA PHE A 45 42.774 42.734 30.307 1.00 0.00 C ATOM 720 C PHE A 45 42.485 42.041 31.640 1.00 0.00 C ATOM 721 O PHE A 45 42.389 40.818 31.700 1.00 0.00 O ATOM 722 CB PHE A 45 41.513 42.805 29.451 1.00 0.00 C ATOM 723 CG PHE A 45 40.416 43.629 30.085 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.570 45.014 30.215 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.274 43.013 30.613 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.611 45.772 30.897 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.308 43.769 31.285 1.00 0.00 C ATOM 728 CZ PHE A 45 38.477 45.151 31.433 1.00 0.00 C ATOM 0 H PHE A 45 43.751 41.055 29.574 1.00 0.00 H new ATOM 0 HA PHE A 45 43.100 43.751 30.525 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.764 43.230 28.479 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.144 41.795 29.272 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.434 45.501 29.787 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.139 41.947 30.500 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.746 46.838 31.010 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.431 43.286 31.690 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.736 45.735 31.958 1.00 0.00 H new ATOM 738 N ALA A 46 42.339 42.817 32.711 1.00 0.00 N ATOM 739 CA ALA A 46 42.127 42.354 34.069 1.00 0.00 C ATOM 740 C ALA A 46 43.108 41.271 34.525 1.00 0.00 C ATOM 741 O ALA A 46 42.756 40.380 35.293 1.00 0.00 O ATOM 742 CB ALA A 46 40.652 42.004 34.246 1.00 0.00 C ATOM 0 H ALA A 46 42.368 43.835 32.646 1.00 0.00 H new ATOM 0 HA ALA A 46 42.363 43.166 34.756 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.481 41.654 35.264 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.043 42.889 34.059 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.377 41.219 33.542 1.00 0.00 H new ATOM 748 N GLY A 47 44.342 41.313 34.030 1.00 0.00 N ATOM 749 CA GLY A 47 45.393 40.352 34.299 1.00 0.00 C ATOM 750 C GLY A 47 45.408 39.085 33.444 1.00 0.00 C ATOM 751 O GLY A 47 46.327 38.285 33.613 1.00 0.00 O ATOM 0 H GLY A 47 44.645 42.056 33.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.352 40.855 34.176 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.321 40.054 35.345 1.00 0.00 H new ATOM 755 N LYS A 48 44.461 38.903 32.529 1.00 0.00 N ATOM 756 CA LYS A 48 44.308 37.759 31.652 1.00 0.00 C ATOM 757 C LYS A 48 44.752 38.095 30.227 1.00 0.00 C ATOM 758 O LYS A 48 44.427 39.173 29.736 1.00 0.00 O ATOM 759 CB LYS A 48 42.849 37.318 31.721 1.00 0.00 C ATOM 760 CG LYS A 48 42.513 36.039 30.959 1.00 0.00 C ATOM 761 CD LYS A 48 41.078 35.605 31.241 1.00 0.00 C ATOM 762 CE LYS A 48 40.706 34.348 30.459 1.00 0.00 C ATOM 763 NZ LYS A 48 39.373 33.847 30.826 1.00 0.00 N ATOM 0 H LYS A 48 43.734 39.601 32.374 1.00 0.00 H new ATOM 0 HA LYS A 48 44.948 36.937 31.973 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.579 37.178 32.768 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.225 38.124 31.336 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.646 36.201 29.889 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.202 35.245 31.249 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.957 35.419 32.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.395 36.413 30.978 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.731 34.564 29.391 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.449 33.572 30.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.159 32.993 30.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.356 33.616 31.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.660 34.577 30.625 1.00 0.00 H new ATOM 777 N GLN A 49 45.475 37.203 29.556 1.00 0.00 N ATOM 778 CA GLN A 49 45.893 37.396 28.182 1.00 0.00 C ATOM 779 C GLN A 49 44.747 37.127 27.205 1.00 0.00 C ATOM 780 O GLN A 49 43.967 36.197 27.395 1.00 0.00 O ATOM 781 CB GLN A 49 47.119 36.549 27.855 1.00 0.00 C ATOM 782 CG GLN A 49 47.835 36.963 26.572 1.00 0.00 C ATOM 783 CD GLN A 49 48.670 35.833 25.967 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.149 34.958 25.278 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.987 35.817 26.150 1.00 0.00 N ATOM 0 H GLN A 49 45.787 36.320 29.960 1.00 0.00 H new ATOM 0 HA GLN A 49 46.176 38.442 28.067 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.821 36.609 28.686 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.815 35.506 27.769 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.098 37.295 25.841 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.482 37.815 26.781 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.432 36.537 26.719 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.553 35.085 25.721 1.00 0.00 H new ATOM 794 N LEU A 50 44.666 37.921 26.140 1.00 0.00 N ATOM 795 CA LEU A 50 43.668 37.826 25.093 1.00 0.00 C ATOM 796 C LEU A 50 44.261 37.193 23.833 1.00 0.00 C ATOM 797 O LEU A 50 45.331 37.594 23.381 1.00 0.00 O ATOM 798 CB LEU A 50 43.088 39.212 24.828 1.00 0.00 C ATOM 799 CG LEU A 50 42.701 40.041 26.049 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.149 41.392 25.601 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.655 39.363 26.929 1.00 0.00 C ATOM 0 H LEU A 50 45.328 38.681 25.982 1.00 0.00 H new ATOM 0 HA LEU A 50 42.856 37.173 25.414 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.816 39.780 24.249 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.203 39.096 24.202 1.00 0.00 H new ATOM 0 HG LEU A 50 43.609 40.159 26.641 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.874 41.981 26.476 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.909 41.924 25.030 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.269 41.237 24.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.424 40.004 27.779 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.749 39.189 26.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.044 38.410 27.288 1.00 0.00 H new ATOM 813 N GLU A 51 43.569 36.217 23.251 1.00 0.00 N ATOM 814 CA GLU A 51 44.021 35.413 22.132 1.00 0.00 C ATOM 815 C GLU A 51 43.562 35.969 20.783 1.00 0.00 C ATOM 816 O GLU A 51 42.411 36.364 20.618 1.00 0.00 O ATOM 817 CB GLU A 51 43.575 33.964 22.302 1.00 0.00 C ATOM 818 CG GLU A 51 44.276 33.256 23.458 1.00 0.00 C ATOM 819 CD GLU A 51 43.883 31.780 23.561 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.392 30.939 22.790 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.059 31.421 24.429 1.00 0.00 O ATOM 0 H GLU A 51 42.634 35.957 23.566 1.00 0.00 H new ATOM 0 HA GLU A 51 45.110 35.451 22.131 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.498 33.938 22.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.769 33.419 21.378 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.355 33.334 23.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.031 33.761 24.392 1.00 0.00 H new ATOM 828 N ASP A 52 44.440 35.949 19.784 1.00 0.00 N ATOM 829 CA ASP A 52 44.237 36.561 18.486 1.00 0.00 C ATOM 830 C ASP A 52 43.028 36.032 17.714 1.00 0.00 C ATOM 831 O ASP A 52 42.391 36.794 16.989 1.00 0.00 O ATOM 832 CB ASP A 52 45.495 36.375 17.640 1.00 0.00 C ATOM 833 CG ASP A 52 46.687 37.129 18.232 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.407 36.566 19.085 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.926 38.297 17.855 1.00 0.00 O ATOM 0 H ASP A 52 45.346 35.487 19.866 1.00 0.00 H new ATOM 0 HA ASP A 52 44.032 37.614 18.679 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.733 35.314 17.570 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.308 36.728 16.626 1.00 0.00 H new ATOM 840 N GLY A 53 42.675 34.762 17.894 1.00 0.00 N ATOM 841 CA GLY A 53 41.518 34.127 17.295 1.00 0.00 C ATOM 842 C GLY A 53 40.159 34.570 17.839 1.00 0.00 C ATOM 843 O GLY A 53 39.142 34.116 17.320 1.00 0.00 O ATOM 0 H GLY A 53 43.212 34.127 18.485 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.538 34.317 16.222 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.608 33.049 17.430 1.00 0.00 H new ATOM 847 N ARG A 54 40.107 35.401 18.876 1.00 0.00 N ATOM 848 CA ARG A 54 38.910 35.776 19.601 1.00 0.00 C ATOM 849 C ARG A 54 38.505 37.229 19.344 1.00 0.00 C ATOM 850 O ARG A 54 39.248 38.000 18.741 1.00 0.00 O ATOM 851 CB ARG A 54 39.130 35.508 21.087 1.00 0.00 C ATOM 852 CG ARG A 54 39.546 34.088 21.461 1.00 0.00 C ATOM 853 CD ARG A 54 38.467 33.036 21.222 1.00 0.00 C ATOM 854 NE ARG A 54 38.854 31.749 21.800 1.00 0.00 N ATOM 855 CZ ARG A 54 38.035 30.765 22.193 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.714 30.789 21.969 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.534 29.698 22.833 1.00 0.00 N ATOM 0 H ARG A 54 40.944 35.850 19.247 1.00 0.00 H new ATOM 0 HA ARG A 54 38.079 35.169 19.241 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.894 36.196 21.450 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.209 35.746 21.618 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.433 33.819 20.888 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.829 34.070 22.514 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.526 33.368 21.661 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.296 32.922 20.152 1.00 0.00 H new ATOM 0 HE ARG A 54 39.854 31.584 21.916 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.294 31.580 21.481 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.129 30.016 22.287 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.535 29.637 23.019 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.913 28.947 23.134 1.00 0.00 H new ATOM 871 N THR A 55 37.326 37.612 19.827 1.00 0.00 N ATOM 872 CA THR A 55 36.769 38.949 19.786 1.00 0.00 C ATOM 873 C THR A 55 36.648 39.565 21.182 1.00 0.00 C ATOM 874 O THR A 55 36.728 38.857 22.185 1.00 0.00 O ATOM 875 CB THR A 55 35.407 38.979 19.098 1.00 0.00 C ATOM 876 OG1 THR A 55 34.452 38.253 19.840 1.00 0.00 O ATOM 877 CG2 THR A 55 35.432 38.423 17.677 1.00 0.00 C ATOM 0 H THR A 55 36.699 36.950 20.285 1.00 0.00 H new ATOM 0 HA THR A 55 37.469 39.546 19.202 1.00 0.00 H new ATOM 0 HB THR A 55 35.135 40.033 19.044 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.805 37.362 20.044 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.431 38.475 17.248 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.118 39.011 17.068 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.764 37.385 17.698 1.00 0.00 H new ATOM 885 N LEU A 56 36.400 40.869 21.267 1.00 0.00 N ATOM 886 CA LEU A 56 36.147 41.546 22.523 1.00 0.00 C ATOM 887 C LEU A 56 34.955 40.948 23.273 1.00 0.00 C ATOM 888 O LEU A 56 34.981 40.838 24.496 1.00 0.00 O ATOM 889 CB LEU A 56 35.928 43.036 22.278 1.00 0.00 C ATOM 890 CG LEU A 56 37.185 43.877 22.078 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.857 43.660 20.725 1.00 0.00 C ATOM 892 CD2 LEU A 56 36.803 45.352 22.170 1.00 0.00 C ATOM 0 H LEU A 56 36.370 41.486 20.455 1.00 0.00 H new ATOM 0 HA LEU A 56 37.025 41.407 23.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.296 43.149 21.397 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.373 43.444 23.123 1.00 0.00 H new ATOM 0 HG LEU A 56 37.890 43.573 22.852 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.743 44.290 20.654 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.147 42.614 20.626 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.161 43.921 19.927 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.692 45.967 22.029 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.072 45.587 21.396 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.372 45.556 23.150 1.00 0.00 H new ATOM 904 N SER A 57 33.931 40.510 22.545 1.00 0.00 N ATOM 905 CA SER A 57 32.751 39.875 23.098 1.00 0.00 C ATOM 906 C SER A 57 33.034 38.541 23.791 1.00 0.00 C ATOM 907 O SER A 57 32.408 38.243 24.806 1.00 0.00 O ATOM 908 CB SER A 57 31.693 39.664 22.018 1.00 0.00 C ATOM 909 OG SER A 57 31.332 40.893 21.431 1.00 0.00 O ATOM 0 H SER A 57 33.904 40.592 21.529 1.00 0.00 H new ATOM 0 HA SER A 57 32.384 40.562 23.861 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.076 38.988 21.253 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.813 39.189 22.451 1.00 0.00 H new ATOM 0 HG SER A 57 31.986 41.130 20.741 1.00 0.00 H new ATOM 915 N ASP A 58 34.023 37.774 23.340 1.00 0.00 N ATOM 916 CA ASP A 58 34.423 36.518 23.943 1.00 0.00 C ATOM 917 C ASP A 58 35.031 36.667 25.339 1.00 0.00 C ATOM 918 O ASP A 58 35.132 35.678 26.061 1.00 0.00 O ATOM 919 CB ASP A 58 35.406 35.789 23.033 1.00 0.00 C ATOM 920 CG ASP A 58 34.798 35.396 21.685 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.871 34.558 21.662 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.276 35.881 20.638 1.00 0.00 O ATOM 0 H ASP A 58 34.580 38.021 22.522 1.00 0.00 H new ATOM 0 HA ASP A 58 33.508 35.938 24.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.274 36.426 22.862 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.764 34.892 23.539 1.00 0.00 H new ATOM 927 N TYR A 59 35.391 37.887 25.726 1.00 0.00 N ATOM 928 CA TYR A 59 35.980 38.264 26.995 1.00 0.00 C ATOM 929 C TYR A 59 35.132 39.244 27.807 1.00 0.00 C ATOM 930 O TYR A 59 35.581 39.735 28.842 1.00 0.00 O ATOM 931 CB TYR A 59 37.373 38.821 26.718 1.00 0.00 C ATOM 932 CG TYR A 59 38.348 37.840 26.111 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.800 36.755 26.871 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.833 38.045 24.814 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.739 35.861 26.343 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.804 37.181 24.291 1.00 0.00 C ATOM 937 CZ TYR A 59 40.255 36.084 25.051 1.00 0.00 C ATOM 938 OH TYR A 59 41.145 35.207 24.505 1.00 0.00 O ATOM 0 H TYR A 59 35.267 38.692 25.112 1.00 0.00 H new ATOM 0 HA TYR A 59 36.037 37.375 27.623 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.279 39.676 26.049 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.791 39.193 27.653 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.422 36.606 27.872 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.460 38.866 24.219 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.065 35.008 26.920 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.207 37.356 23.304 1.00 0.00 H new ATOM 0 HH TYR A 59 40.976 34.308 24.856 1.00 0.00 H new ATOM 948 N ASN A 60 33.911 39.531 27.365 1.00 0.00 N ATOM 949 CA ASN A 60 32.980 40.446 27.994 1.00 0.00 C ATOM 950 C ASN A 60 33.530 41.862 28.186 1.00 0.00 C ATOM 951 O ASN A 60 33.213 42.522 29.173 1.00 0.00 O ATOM 952 CB ASN A 60 32.394 39.817 29.256 1.00 0.00 C ATOM 953 CG ASN A 60 31.627 38.514 29.026 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.199 37.427 28.971 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.305 38.574 28.896 1.00 0.00 N ATOM 0 H ASN A 60 33.531 39.109 26.518 1.00 0.00 H new ATOM 0 HA ASN A 60 32.153 40.605 27.301 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.204 39.626 29.960 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.726 40.537 29.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.767 37.719 28.751 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.828 39.475 28.941 1.00 0.00 H new ATOM 962 N ILE A 61 34.378 42.339 27.280 1.00 0.00 N ATOM 963 CA ILE A 61 35.002 43.646 27.344 1.00 0.00 C ATOM 964 C ILE A 61 34.009 44.731 26.922 1.00 0.00 C ATOM 965 O ILE A 61 33.300 44.571 25.933 1.00 0.00 O ATOM 966 CB ILE A 61 36.287 43.671 26.521 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.321 42.718 27.112 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.882 45.072 26.417 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.542 42.472 26.229 1.00 0.00 C ATOM 0 H ILE A 61 34.655 41.805 26.456 1.00 0.00 H new ATOM 0 HA ILE A 61 35.287 43.857 28.375 1.00 0.00 H new ATOM 0 HB ILE A 61 36.022 43.346 25.515 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.657 43.116 28.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.839 41.762 27.316 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.795 45.036 25.822 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.163 45.738 25.940 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.114 45.444 27.415 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.221 41.783 26.731 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.224 42.041 25.280 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.054 43.416 26.045 1.00 0.00 H new ATOM 981 N GLN A 62 33.967 45.834 27.666 1.00 0.00 N ATOM 982 CA GLN A 62 33.078 46.958 27.457 1.00 0.00 C ATOM 983 C GLN A 62 33.817 48.264 27.160 1.00 0.00 C ATOM 984 O GLN A 62 35.046 48.314 27.165 1.00 0.00 O ATOM 985 CB GLN A 62 32.189 47.113 28.688 1.00 0.00 C ATOM 986 CG GLN A 62 31.266 45.924 28.939 1.00 0.00 C ATOM 987 CD GLN A 62 30.022 46.380 29.705 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.056 46.595 30.914 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.912 46.632 29.017 1.00 0.00 N ATOM 0 H GLN A 62 34.584 45.968 28.467 1.00 0.00 H new ATOM 0 HA GLN A 62 32.477 46.749 26.572 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.821 47.261 29.564 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.584 48.013 28.576 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.974 45.473 27.991 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.793 45.158 29.508 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.883 46.454 28.013 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.090 47.003 29.493 1.00 0.00 H new ATOM 998 N LYS A 63 33.074 49.344 26.942 1.00 0.00 N ATOM 999 CA LYS A 63 33.558 50.708 26.859 1.00 0.00 C ATOM 1000 C LYS A 63 34.374 51.131 28.082 1.00 0.00 C ATOM 1001 O LYS A 63 34.238 50.546 29.154 1.00 0.00 O ATOM 1002 CB LYS A 63 32.365 51.637 26.650 1.00 0.00 C ATOM 1003 CG LYS A 63 31.482 51.804 27.883 1.00 0.00 C ATOM 1004 CD LYS A 63 30.191 52.541 27.542 1.00 0.00 C ATOM 1005 CE LYS A 63 29.321 52.850 28.758 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.986 53.787 29.677 1.00 0.00 N ATOM 0 H LYS A 63 32.064 49.283 26.812 1.00 0.00 H new ATOM 0 HA LYS A 63 34.242 50.774 26.013 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.731 52.617 26.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.758 51.252 25.831 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.246 50.825 28.299 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.026 52.354 28.651 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.439 53.475 27.037 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.615 51.940 26.838 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.372 53.274 28.429 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.090 51.924 29.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.304 54.119 30.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.776 53.305 30.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.349 54.600 29.140 1.00 0.00 H new ATOM 1020 N GLU A 64 35.192 52.167 27.925 1.00 0.00 N ATOM 1021 CA GLU A 64 36.008 52.781 28.953 1.00 0.00 C ATOM 1022 C GLU A 64 37.122 51.895 29.515 1.00 0.00 C ATOM 1023 O GLU A 64 37.974 52.370 30.261 1.00 0.00 O ATOM 1024 CB GLU A 64 35.081 53.411 29.988 1.00 0.00 C ATOM 1025 CG GLU A 64 35.677 54.256 31.109 1.00 0.00 C ATOM 1026 CD GLU A 64 36.446 55.497 30.654 1.00 0.00 C ATOM 1027 OE1 GLU A 64 36.097 56.117 29.625 1.00 0.00 O ATOM 1028 OE2 GLU A 64 37.390 55.892 31.373 1.00 0.00 O ATOM 0 H GLU A 64 35.306 52.624 27.020 1.00 0.00 H new ATOM 0 HA GLU A 64 36.604 53.574 28.501 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.367 54.036 29.451 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.513 52.605 30.452 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.871 54.571 31.772 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.347 53.629 31.697 1.00 0.00 H new ATOM 1035 N SER A 65 37.186 50.634 29.096 1.00 0.00 N ATOM 1036 CA SER A 65 38.186 49.666 29.500 1.00 0.00 C ATOM 1037 C SER A 65 39.611 50.108 29.159 1.00 0.00 C ATOM 1038 O SER A 65 39.886 50.498 28.027 1.00 0.00 O ATOM 1039 CB SER A 65 37.953 48.326 28.807 1.00 0.00 C ATOM 1040 OG SER A 65 36.697 47.782 29.147 1.00 0.00 O ATOM 0 H SER A 65 36.510 50.248 28.437 1.00 0.00 H new ATOM 0 HA SER A 65 38.086 49.577 30.582 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.014 48.458 27.727 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.742 47.628 29.087 1.00 0.00 H new ATOM 0 HG SER A 65 36.064 47.937 28.415 1.00 0.00 H new ATOM 1046 N THR A 66 40.530 49.956 30.108 1.00 0.00 N ATOM 1047 CA THR A 66 41.960 50.050 29.890 1.00 0.00 C ATOM 1048 C THR A 66 42.582 48.652 29.851 1.00 0.00 C ATOM 1049 O THR A 66 42.478 47.876 30.798 1.00 0.00 O ATOM 1050 CB THR A 66 42.642 50.943 30.922 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.126 52.251 30.837 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.145 51.075 30.694 1.00 0.00 C ATOM 0 H THR A 66 40.287 49.758 31.079 1.00 0.00 H new ATOM 0 HA THR A 66 42.121 50.525 28.922 1.00 0.00 H new ATOM 0 HB THR A 66 42.455 50.474 31.888 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.566 52.820 31.503 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.574 51.722 31.459 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.609 50.090 30.749 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.327 51.507 29.710 1.00 0.00 H new ATOM 1060 N LEU A 67 43.233 48.337 28.735 1.00 0.00 N ATOM 1061 CA LEU A 67 44.024 47.147 28.495 1.00 0.00 C ATOM 1062 C LEU A 67 45.506 47.480 28.684 1.00 0.00 C ATOM 1063 O LEU A 67 45.904 48.631 28.524 1.00 0.00 O ATOM 1064 CB LEU A 67 43.773 46.631 27.081 1.00 0.00 C ATOM 1065 CG LEU A 67 42.437 45.937 26.835 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.224 46.863 26.856 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.471 45.264 25.466 1.00 0.00 C ATOM 0 H LEU A 67 43.217 48.953 27.922 1.00 0.00 H new ATOM 0 HA LEU A 67 43.738 46.369 29.203 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.852 47.472 26.392 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.571 45.934 26.826 1.00 0.00 H new ATOM 0 HG LEU A 67 42.319 45.231 27.657 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.320 46.283 26.672 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.153 47.347 27.830 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.332 47.622 26.081 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.519 44.765 25.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.642 46.016 24.695 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.276 44.530 25.441 1.00 0.00 H new ATOM 1079 N HIS A 68 46.346 46.482 28.943 1.00 0.00 N ATOM 1080 CA HIS A 68 47.785 46.646 28.975 1.00 0.00 C ATOM 1081 C HIS A 68 48.448 45.919 27.803 1.00 0.00 C ATOM 1082 O HIS A 68 48.122 44.773 27.506 1.00 0.00 O ATOM 1083 CB HIS A 68 48.359 46.217 30.323 1.00 0.00 C ATOM 1084 CG HIS A 68 47.934 47.090 31.471 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.776 46.913 32.229 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.636 48.146 31.994 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.770 47.882 33.147 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.885 48.625 33.049 1.00 0.00 N ATOM 0 H HIS A 68 46.038 45.529 29.138 1.00 0.00 H new ATOM 0 HA HIS A 68 48.010 47.706 28.859 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.053 45.191 30.527 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.447 46.219 30.261 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.586 48.527 31.649 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.981 48.045 33.866 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.134 49.409 33.651 1.00 0.00 H new ATOM 1096 N LEU A 69 49.400 46.585 27.156 1.00 0.00 N ATOM 1097 CA LEU A 69 50.274 46.001 26.159 1.00 0.00 C ATOM 1098 C LEU A 69 51.498 45.395 26.848 1.00 0.00 C ATOM 1099 O LEU A 69 52.178 46.073 27.615 1.00 0.00 O ATOM 1100 CB LEU A 69 50.650 47.070 25.137 1.00 0.00 C ATOM 1101 CG LEU A 69 51.719 46.669 24.124 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.287 45.516 23.221 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.047 47.855 23.222 1.00 0.00 C ATOM 0 H LEU A 69 49.585 47.575 27.320 1.00 0.00 H new ATOM 0 HA LEU A 69 49.769 45.196 25.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.751 47.359 24.593 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.997 47.953 25.673 1.00 0.00 H new ATOM 0 HG LEU A 69 52.582 46.349 24.707 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.091 45.279 22.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.065 44.640 23.830 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.396 45.805 22.663 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.811 47.563 22.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.148 48.168 22.692 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.417 48.682 23.828 1.00 0.00 H new ATOM 1115 N VAL A 70 51.817 44.147 26.517 1.00 0.00 N ATOM 1116 CA VAL A 70 53.032 43.459 26.901 1.00 0.00 C ATOM 1117 C VAL A 70 53.829 43.143 25.634 1.00 0.00 C ATOM 1118 O VAL A 70 53.294 42.566 24.689 1.00 0.00 O ATOM 1119 CB VAL A 70 52.711 42.204 27.709 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.968 41.414 28.063 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.007 42.570 29.013 1.00 0.00 C ATOM 0 H VAL A 70 51.202 43.566 25.947 1.00 0.00 H new ATOM 0 HA VAL A 70 53.638 44.094 27.548 1.00 0.00 H new ATOM 0 HB VAL A 70 52.065 41.590 27.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.692 40.530 28.638 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.475 41.108 27.148 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.635 42.039 28.657 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.787 41.662 29.575 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.654 43.216 29.607 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.077 43.093 28.790 1.00 0.00 H new