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 Set 1.1: A 55 THR OG1 : rot -69:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 1.16 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0134 (180deg=-0.162) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.1 (180deg=1.91) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.09) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.1,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.912 (180deg=0.692) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= 0.0968 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.615 K(o=0.61,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.981 K(o=0.98,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= 0.878 (180deg=-0.0165) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 59 TYR OH : rot -59:sc= 0.325 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=-0.015) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 1.24 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=-0.00084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.604 51.464 20.759 1.00 0.00 N ATOM 2 CA MET A 1 32.894 51.207 22.178 1.00 0.00 C ATOM 3 C MET A 1 34.322 51.652 22.498 1.00 0.00 C ATOM 4 O MET A 1 35.216 51.433 21.683 1.00 0.00 O ATOM 5 CB MET A 1 32.600 49.743 22.492 1.00 0.00 C ATOM 6 CG MET A 1 32.913 49.308 23.921 1.00 0.00 C ATOM 7 SD MET A 1 34.614 48.766 24.213 1.00 0.00 S ATOM 8 CE MET A 1 34.612 47.174 23.351 1.00 0.00 C ATOM 0 H1 MET A 1 31.586 51.338 20.584 1.00 0.00 H new ATOM 0 H2 MET A 1 32.879 52.438 20.519 1.00 0.00 H new ATOM 0 H3 MET A 1 33.141 50.797 20.169 1.00 0.00 H new ATOM 0 HA MET A 1 32.248 51.794 22.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.546 49.550 22.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.173 49.119 21.806 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.694 50.139 24.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.239 48.495 24.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.528 46.632 23.585 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.751 46.587 23.672 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.555 47.343 22.276 1.00 0.00 H new ATOM 20 N GLN A 2 34.552 52.306 23.633 1.00 0.00 N ATOM 21 CA GLN A 2 35.837 52.860 24.006 1.00 0.00 C ATOM 22 C GLN A 2 36.696 51.899 24.832 1.00 0.00 C ATOM 23 O GLN A 2 36.247 51.425 25.874 1.00 0.00 O ATOM 24 CB GLN A 2 35.622 54.182 24.737 1.00 0.00 C ATOM 25 CG GLN A 2 36.892 54.770 25.348 1.00 0.00 C ATOM 26 CD GLN A 2 36.735 56.264 25.635 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.265 56.686 26.689 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.044 57.126 24.671 1.00 0.00 N ATOM 0 H GLN A 2 33.827 52.466 24.332 1.00 0.00 H new ATOM 0 HA GLN A 2 36.400 53.033 23.089 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.198 54.905 24.040 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.887 54.032 25.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.130 54.244 26.272 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.730 54.615 24.668 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.435 56.789 23.791 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.890 58.125 24.811 1.00 0.00 H new ATOM 37 N ILE A 3 37.953 51.723 24.436 1.00 0.00 N ATOM 38 CA ILE A 3 38.992 51.069 25.206 1.00 0.00 C ATOM 39 C ILE A 3 40.223 51.961 25.373 1.00 0.00 C ATOM 40 O ILE A 3 40.466 52.852 24.563 1.00 0.00 O ATOM 41 CB ILE A 3 39.373 49.713 24.618 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.019 49.813 23.239 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.170 48.775 24.609 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.618 48.505 22.730 1.00 0.00 C ATOM 0 H ILE A 3 38.284 52.049 23.528 1.00 0.00 H new ATOM 0 HA ILE A 3 38.577 50.889 26.198 1.00 0.00 H new ATOM 0 HB ILE A 3 40.138 49.291 25.270 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.272 50.159 22.525 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.803 50.570 23.272 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.461 47.814 24.186 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.814 48.630 25.629 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.374 49.210 24.005 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.056 48.664 21.745 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.391 48.166 23.420 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.836 47.749 22.661 1.00 0.00 H new ATOM 56 N PHE A 4 41.045 51.661 26.375 1.00 0.00 N ATOM 57 CA PHE A 4 42.330 52.282 26.627 1.00 0.00 C ATOM 58 C PHE A 4 43.434 51.223 26.654 1.00 0.00 C ATOM 59 O PHE A 4 43.284 50.175 27.279 1.00 0.00 O ATOM 60 CB PHE A 4 42.308 53.056 27.942 1.00 0.00 C ATOM 61 CG PHE A 4 41.127 53.975 28.144 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.086 55.217 27.500 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.092 53.607 29.011 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.020 56.096 27.728 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.033 54.490 29.254 1.00 0.00 C ATOM 66 CZ PHE A 4 38.996 55.732 28.610 1.00 0.00 C ATOM 0 H PHE A 4 40.817 50.943 27.063 1.00 0.00 H new ATOM 0 HA PHE A 4 42.536 52.984 25.819 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.332 52.340 28.764 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.221 53.648 28.009 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.880 55.499 26.824 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.110 52.641 29.493 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.988 57.051 27.225 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.245 54.213 29.938 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.176 56.411 28.794 1.00 0.00 H new ATOM 76 N VAL A 5 44.555 51.497 25.992 1.00 0.00 N ATOM 77 CA VAL A 5 45.657 50.579 25.787 1.00 0.00 C ATOM 78 C VAL A 5 46.950 51.222 26.293 1.00 0.00 C ATOM 79 O VAL A 5 47.461 52.168 25.697 1.00 0.00 O ATOM 80 CB VAL A 5 45.758 50.216 24.308 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.951 49.311 24.017 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.506 49.522 23.779 1.00 0.00 C ATOM 0 H VAL A 5 44.721 52.409 25.567 1.00 0.00 H new ATOM 0 HA VAL A 5 45.487 49.659 26.347 1.00 0.00 H new ATOM 0 HB VAL A 5 45.881 51.172 23.799 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.981 49.080 22.952 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.872 49.819 24.304 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.854 48.387 24.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.638 49.289 22.722 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.338 48.600 24.336 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.646 50.181 23.900 1.00 0.00 H new ATOM 92 N LYS A 6 47.489 50.721 27.401 1.00 0.00 N ATOM 93 CA LYS A 6 48.659 51.248 28.072 1.00 0.00 C ATOM 94 C LYS A 6 49.932 50.506 27.662 1.00 0.00 C ATOM 95 O LYS A 6 50.152 49.367 28.072 1.00 0.00 O ATOM 96 CB LYS A 6 48.428 51.220 29.580 1.00 0.00 C ATOM 97 CG LYS A 6 47.326 52.193 29.990 1.00 0.00 C ATOM 98 CD LYS A 6 47.261 52.329 31.508 1.00 0.00 C ATOM 99 CE LYS A 6 46.497 53.584 31.923 1.00 0.00 C ATOM 100 NZ LYS A 6 46.821 53.939 33.314 1.00 0.00 N ATOM 0 H LYS A 6 47.101 49.903 27.870 1.00 0.00 H new ATOM 0 HA LYS A 6 48.811 52.283 27.766 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.159 50.210 29.890 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.353 51.476 30.097 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.510 53.169 29.540 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.366 51.843 29.610 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.777 51.450 31.933 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.271 52.365 31.915 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.753 54.410 31.260 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.425 53.416 31.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.295 54.794 33.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.555 53.155 33.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.842 54.119 33.398 1.00 0.00 H new ATOM 168 N LYS A 11 52.963 55.470 26.930 1.00 0.00 N ATOM 169 CA LYS A 11 51.924 56.037 26.095 1.00 0.00 C ATOM 170 C LYS A 11 50.612 55.267 26.261 1.00 0.00 C ATOM 171 O LYS A 11 50.579 54.049 26.092 1.00 0.00 O ATOM 172 CB LYS A 11 52.401 56.092 24.647 1.00 0.00 C ATOM 173 CG LYS A 11 51.363 56.434 23.582 1.00 0.00 C ATOM 174 CD LYS A 11 50.778 57.841 23.653 1.00 0.00 C ATOM 175 CE LYS A 11 49.561 58.009 22.746 1.00 0.00 C ATOM 176 NZ LYS A 11 49.897 58.116 21.319 1.00 0.00 N ATOM 0 HA LYS A 11 51.718 57.060 26.410 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.204 56.826 24.584 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.834 55.124 24.397 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.819 56.299 22.601 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.545 55.717 23.655 1.00 0.00 H new ATOM 0 HD2 LYS A 11 50.495 58.063 24.682 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.542 58.565 23.370 1.00 0.00 H new ATOM 0 HE2 LYS A 11 48.892 57.161 22.890 1.00 0.00 H new ATOM 0 HE3 LYS A 11 49.014 58.902 23.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 49.029 58.040 20.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.351 59.034 21.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.549 57.350 21.058 1.00 0.00 H new ATOM 190 N THR A 12 49.527 55.989 26.527 1.00 0.00 N ATOM 191 CA THR A 12 48.175 55.469 26.546 1.00 0.00 C ATOM 192 C THR A 12 47.513 55.769 25.200 1.00 0.00 C ATOM 193 O THR A 12 47.370 56.927 24.815 1.00 0.00 O ATOM 194 CB THR A 12 47.372 56.067 27.697 1.00 0.00 C ATOM 195 OG1 THR A 12 47.996 55.738 28.918 1.00 0.00 O ATOM 196 CG2 THR A 12 45.953 55.511 27.786 1.00 0.00 C ATOM 0 H THR A 12 49.573 56.985 26.742 1.00 0.00 H new ATOM 0 HA THR A 12 48.204 54.391 26.704 1.00 0.00 H new ATOM 0 HB THR A 12 47.329 57.140 27.513 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.484 56.122 29.661 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.432 55.975 28.624 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.418 55.729 26.861 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.994 54.432 27.936 1.00 0.00 H new ATOM 204 N ILE A 13 47.106 54.726 24.481 1.00 0.00 N ATOM 205 CA ILE A 13 46.343 54.818 23.253 1.00 0.00 C ATOM 206 C ILE A 13 44.859 54.675 23.597 1.00 0.00 C ATOM 207 O ILE A 13 44.471 53.715 24.260 1.00 0.00 O ATOM 208 CB ILE A 13 46.773 53.773 22.228 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.284 53.590 22.104 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.187 54.111 20.860 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.694 52.425 21.209 1.00 0.00 C ATOM 0 H ILE A 13 47.309 53.764 24.752 1.00 0.00 H new ATOM 0 HA ILE A 13 46.529 55.788 22.791 1.00 0.00 H new ATOM 0 HB ILE A 13 46.383 52.824 22.597 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.720 54.508 21.711 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.704 53.437 23.098 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.499 53.360 20.135 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.099 54.124 20.923 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.544 55.091 20.543 1.00 0.00 H new ATOM 0 HD11 ILE A 13 49.781 52.360 21.171 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.289 51.497 21.612 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.305 52.584 20.203 1.00 0.00 H new ATOM 223 N THR A 14 44.017 55.598 23.140 1.00 0.00 N ATOM 224 CA THR A 14 42.578 55.550 23.298 1.00 0.00 C ATOM 225 C THR A 14 41.962 55.164 21.953 1.00 0.00 C ATOM 226 O THR A 14 42.177 55.876 20.973 1.00 0.00 O ATOM 227 CB THR A 14 42.038 56.892 23.783 1.00 0.00 C ATOM 228 OG1 THR A 14 42.699 57.275 24.968 1.00 0.00 O ATOM 229 CG2 THR A 14 40.545 56.836 24.090 1.00 0.00 C ATOM 0 H THR A 14 44.335 56.425 22.634 1.00 0.00 H new ATOM 0 HA THR A 14 42.312 54.809 24.051 1.00 0.00 H new ATOM 0 HB THR A 14 42.211 57.608 22.979 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.349 58.138 25.274 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.207 57.814 24.432 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.998 56.557 23.189 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.361 56.096 24.869 1.00 0.00 H new ATOM 237 N LEU A 15 41.222 54.059 21.892 1.00 0.00 N ATOM 238 CA LEU A 15 40.684 53.529 20.656 1.00 0.00 C ATOM 239 C LEU A 15 39.161 53.386 20.719 1.00 0.00 C ATOM 240 O LEU A 15 38.592 53.055 21.757 1.00 0.00 O ATOM 241 CB LEU A 15 41.348 52.200 20.312 1.00 0.00 C ATOM 242 CG LEU A 15 42.854 52.240 20.066 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.377 50.823 19.848 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.224 53.071 18.840 1.00 0.00 C ATOM 0 H LEU A 15 40.980 53.505 22.714 1.00 0.00 H new ATOM 0 HA LEU A 15 40.907 54.241 19.861 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.152 51.500 21.124 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.866 51.797 19.421 1.00 0.00 H new ATOM 0 HG LEU A 15 43.304 52.700 20.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.452 50.855 19.673 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.171 50.219 20.732 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.881 50.381 18.984 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.306 53.066 18.710 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.751 52.645 17.955 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.879 54.096 18.978 1.00 0.00 H new ATOM 256 N GLU A 16 38.500 53.637 19.594 1.00 0.00 N ATOM 257 CA GLU A 16 37.074 53.455 19.413 1.00 0.00 C ATOM 258 C GLU A 16 36.830 52.254 18.497 1.00 0.00 C ATOM 259 O GLU A 16 37.159 52.282 17.313 1.00 0.00 O ATOM 260 CB GLU A 16 36.479 54.755 18.881 1.00 0.00 C ATOM 261 CG GLU A 16 34.960 54.822 19.014 1.00 0.00 C ATOM 262 CD GLU A 16 34.481 54.850 20.467 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.086 55.560 21.298 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.483 54.159 20.766 1.00 0.00 O ATOM 0 H GLU A 16 38.965 53.985 18.755 1.00 0.00 H new ATOM 0 HA GLU A 16 36.575 53.234 20.357 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.921 55.595 19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.750 54.868 17.831 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.596 55.712 18.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 34.520 53.962 18.510 1.00 0.00 H new ATOM 271 N VAL A 17 36.319 51.163 19.060 1.00 0.00 N ATOM 272 CA VAL A 17 36.321 49.836 18.479 1.00 0.00 C ATOM 273 C VAL A 17 34.921 49.220 18.449 1.00 0.00 C ATOM 274 O VAL A 17 34.091 49.491 19.314 1.00 0.00 O ATOM 275 CB VAL A 17 37.299 48.917 19.205 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.747 49.345 18.978 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.075 48.857 20.713 1.00 0.00 C ATOM 0 H VAL A 17 35.873 51.188 19.977 1.00 0.00 H new ATOM 0 HA VAL A 17 36.653 49.943 17.446 1.00 0.00 H new ATOM 0 HB VAL A 17 37.111 47.931 18.780 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.414 48.667 19.510 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.973 49.314 17.912 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.889 50.360 19.349 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.806 48.185 21.163 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.189 49.854 21.138 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.070 48.489 20.917 1.00 0.00 H new ATOM 287 N GLU A 18 34.676 48.355 17.470 1.00 0.00 N ATOM 288 CA GLU A 18 33.481 47.538 17.405 1.00 0.00 C ATOM 289 C GLU A 18 33.695 46.266 18.227 1.00 0.00 C ATOM 290 O GLU A 18 34.686 45.578 17.993 1.00 0.00 O ATOM 291 CB GLU A 18 33.137 47.237 15.949 1.00 0.00 C ATOM 292 CG GLU A 18 31.839 46.449 15.794 1.00 0.00 C ATOM 293 CD GLU A 18 31.290 46.518 14.368 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.814 45.834 13.463 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.309 47.262 14.146 1.00 0.00 O ATOM 0 H GLU A 18 35.315 48.204 16.690 1.00 0.00 H new ATOM 0 HA GLU A 18 32.632 48.072 17.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.054 48.175 15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.954 46.674 15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.013 45.408 16.065 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.094 46.838 16.488 1.00 0.00 H new ATOM 302 N PRO A 19 32.808 45.880 19.141 1.00 0.00 N ATOM 303 CA PRO A 19 32.980 44.682 19.938 1.00 0.00 C ATOM 304 C PRO A 19 33.084 43.374 19.153 1.00 0.00 C ATOM 305 O PRO A 19 33.552 42.370 19.687 1.00 0.00 O ATOM 306 CB PRO A 19 31.798 44.643 20.904 1.00 0.00 C ATOM 307 CG PRO A 19 31.416 46.113 21.052 1.00 0.00 C ATOM 308 CD PRO A 19 31.715 46.673 19.664 1.00 0.00 C ATOM 0 HA PRO A 19 33.945 44.745 20.442 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.973 44.051 20.507 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.075 44.201 21.861 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.367 46.235 21.321 1.00 0.00 H new ATOM 0 HG3 PRO A 19 32.003 46.609 21.825 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.839 46.604 19.019 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.989 47.727 19.719 1.00 0.00 H new ATOM 316 N SER A 20 32.656 43.363 17.894 1.00 0.00 N ATOM 317 CA SER A 20 32.752 42.237 16.986 1.00 0.00 C ATOM 318 C SER A 20 34.081 42.158 16.233 1.00 0.00 C ATOM 319 O SER A 20 34.246 41.266 15.403 1.00 0.00 O ATOM 320 CB SER A 20 31.588 42.267 16.002 1.00 0.00 C ATOM 321 OG SER A 20 30.358 42.424 16.674 1.00 0.00 O ATOM 0 H SER A 20 32.215 44.177 17.465 1.00 0.00 H new ATOM 0 HA SER A 20 32.705 41.339 17.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.727 43.085 15.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.574 41.344 15.423 1.00 0.00 H new ATOM 0 HG SER A 20 29.628 42.442 16.020 1.00 0.00 H new ATOM 327 N ASP A 21 35.027 43.067 16.456 1.00 0.00 N ATOM 328 CA ASP A 21 36.319 43.060 15.799 1.00 0.00 C ATOM 329 C ASP A 21 37.338 42.177 16.522 1.00 0.00 C ATOM 330 O ASP A 21 37.263 41.970 17.731 1.00 0.00 O ATOM 331 CB ASP A 21 36.815 44.490 15.605 1.00 0.00 C ATOM 332 CG ASP A 21 37.922 44.598 14.554 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.972 43.759 13.630 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.718 45.560 14.605 1.00 0.00 O ATOM 0 H ASP A 21 34.909 43.840 17.111 1.00 0.00 H new ATOM 0 HA ASP A 21 36.196 42.610 14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.978 45.123 15.310 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.185 44.873 16.556 1.00 0.00 H new ATOM 339 N THR A 22 38.303 41.640 15.781 1.00 0.00 N ATOM 340 CA THR A 22 39.240 40.651 16.275 1.00 0.00 C ATOM 341 C THR A 22 40.408 41.259 17.054 1.00 0.00 C ATOM 342 O THR A 22 40.815 42.395 16.822 1.00 0.00 O ATOM 343 CB THR A 22 39.762 39.728 15.178 1.00 0.00 C ATOM 344 OG1 THR A 22 40.636 40.391 14.291 1.00 0.00 O ATOM 345 CG2 THR A 22 38.649 39.102 14.343 1.00 0.00 C ATOM 0 H THR A 22 38.454 41.888 14.803 1.00 0.00 H new ATOM 0 HA THR A 22 38.658 40.049 16.973 1.00 0.00 H new ATOM 0 HB THR A 22 40.295 38.945 15.717 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.947 39.762 13.607 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.085 38.457 13.580 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.998 38.512 14.988 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.068 39.889 13.863 1.00 0.00 H new ATOM 353 N ILE A 23 41.007 40.488 17.956 1.00 0.00 N ATOM 354 CA ILE A 23 42.192 40.899 18.684 1.00 0.00 C ATOM 355 C ILE A 23 43.411 41.006 17.767 1.00 0.00 C ATOM 356 O ILE A 23 44.241 41.890 17.966 1.00 0.00 O ATOM 357 CB ILE A 23 42.401 39.978 19.883 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.284 40.061 20.920 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.752 40.199 20.558 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.064 41.415 21.587 1.00 0.00 C ATOM 0 H ILE A 23 40.678 39.554 18.201 1.00 0.00 H new ATOM 0 HA ILE A 23 42.048 41.907 19.074 1.00 0.00 H new ATOM 0 HB ILE A 23 42.380 38.973 19.462 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.352 39.763 20.440 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.489 39.328 21.700 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.851 39.520 21.405 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.552 40.007 19.843 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.819 41.229 20.909 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.244 41.340 22.301 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.973 41.716 22.108 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.818 42.158 20.829 1.00 0.00 H new ATOM 372 N GLU A 24 43.494 40.209 16.706 1.00 0.00 N ATOM 373 CA GLU A 24 44.466 40.376 15.644 1.00 0.00 C ATOM 374 C GLU A 24 44.369 41.770 15.019 1.00 0.00 C ATOM 375 O GLU A 24 45.385 42.444 14.865 1.00 0.00 O ATOM 376 CB GLU A 24 44.255 39.283 14.601 1.00 0.00 C ATOM 377 CG GLU A 24 45.292 39.251 13.483 1.00 0.00 C ATOM 378 CD GLU A 24 44.969 38.181 12.438 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.987 38.357 11.685 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.673 37.150 12.368 1.00 0.00 O ATOM 0 H GLU A 24 42.872 39.414 16.563 1.00 0.00 H new ATOM 0 HA GLU A 24 45.470 40.285 16.058 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.255 38.316 15.104 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.268 39.411 14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.337 40.228 13.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.278 39.059 13.907 1.00 0.00 H new ATOM 387 N ASN A 25 43.161 42.243 14.726 1.00 0.00 N ATOM 388 CA ASN A 25 42.924 43.582 14.228 1.00 0.00 C ATOM 389 C ASN A 25 43.248 44.665 15.259 1.00 0.00 C ATOM 390 O ASN A 25 43.836 45.679 14.891 1.00 0.00 O ATOM 391 CB ASN A 25 41.492 43.699 13.714 1.00 0.00 C ATOM 392 CG ASN A 25 41.252 43.001 12.374 1.00 0.00 C ATOM 393 OD1 ASN A 25 42.148 42.481 11.713 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.013 43.030 11.893 1.00 0.00 N ATOM 0 H ASN A 25 42.309 41.692 14.832 1.00 0.00 H new ATOM 0 HA ASN A 25 43.610 43.753 13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.815 43.278 14.457 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.238 44.754 13.613 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.811 42.622 10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.265 43.460 12.437 1.00 0.00 H new ATOM 401 N VAL A 26 42.957 44.465 16.542 1.00 0.00 N ATOM 402 CA VAL A 26 43.349 45.384 17.590 1.00 0.00 C ATOM 403 C VAL A 26 44.867 45.573 17.624 1.00 0.00 C ATOM 404 O VAL A 26 45.321 46.715 17.628 1.00 0.00 O ATOM 405 CB VAL A 26 42.810 44.973 18.958 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.330 45.852 20.092 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.288 45.067 19.007 1.00 0.00 C ATOM 0 H VAL A 26 42.439 43.653 16.879 1.00 0.00 H new ATOM 0 HA VAL A 26 42.895 46.346 17.350 1.00 0.00 H new ATOM 0 HB VAL A 26 43.154 43.948 19.095 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.911 45.510 21.039 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.417 45.789 20.132 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.033 46.886 19.916 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.937 44.768 19.994 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.980 46.094 18.808 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.858 44.407 18.253 1.00 0.00 H new ATOM 417 N LYS A 27 45.661 44.509 17.551 1.00 0.00 N ATOM 418 CA LYS A 27 47.105 44.621 17.478 1.00 0.00 C ATOM 419 C LYS A 27 47.585 45.332 16.211 1.00 0.00 C ATOM 420 O LYS A 27 48.513 46.133 16.277 1.00 0.00 O ATOM 421 CB LYS A 27 47.770 43.252 17.577 1.00 0.00 C ATOM 422 CG LYS A 27 47.629 42.574 18.938 1.00 0.00 C ATOM 423 CD LYS A 27 48.464 41.298 18.911 1.00 0.00 C ATOM 424 CE LYS A 27 48.320 40.476 20.189 1.00 0.00 C ATOM 425 NZ LYS A 27 48.949 39.159 20.004 1.00 0.00 N ATOM 0 H LYS A 27 45.317 43.549 17.541 1.00 0.00 H new ATOM 0 HA LYS A 27 47.400 45.232 18.331 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.344 42.600 16.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.830 43.360 17.348 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.970 43.237 19.733 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.584 42.342 19.143 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.165 40.690 18.057 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.513 41.557 18.766 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.787 40.999 21.024 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.266 40.355 20.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.678 38.532 20.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.631 38.746 19.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.983 39.267 19.989 1.00 0.00 H new ATOM 439 N ALA A 28 46.950 45.083 15.068 1.00 0.00 N ATOM 440 CA ALA A 28 47.270 45.747 13.821 1.00 0.00 C ATOM 441 C ALA A 28 46.994 47.251 13.863 1.00 0.00 C ATOM 442 O ALA A 28 47.802 48.032 13.365 1.00 0.00 O ATOM 443 CB ALA A 28 46.519 45.059 12.685 1.00 0.00 C ATOM 0 H ALA A 28 46.191 44.406 14.988 1.00 0.00 H new ATOM 0 HA ALA A 28 48.343 45.658 13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.754 45.553 11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.819 44.013 12.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.446 45.120 12.869 1.00 0.00 H new ATOM 449 N LYS A 29 45.931 47.680 14.538 1.00 0.00 N ATOM 450 CA LYS A 29 45.639 49.074 14.803 1.00 0.00 C ATOM 451 C LYS A 29 46.667 49.716 15.737 1.00 0.00 C ATOM 452 O LYS A 29 47.117 50.823 15.451 1.00 0.00 O ATOM 453 CB LYS A 29 44.233 49.225 15.375 1.00 0.00 C ATOM 454 CG LYS A 29 43.139 48.964 14.343 1.00 0.00 C ATOM 455 CD LYS A 29 41.770 49.028 15.016 1.00 0.00 C ATOM 456 CE LYS A 29 40.656 48.714 14.022 1.00 0.00 C ATOM 457 NZ LYS A 29 39.347 48.739 14.694 1.00 0.00 N ATOM 0 H LYS A 29 45.233 47.044 14.924 1.00 0.00 H new ATOM 0 HA LYS A 29 45.696 49.601 13.850 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.110 48.535 16.210 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.115 50.232 15.775 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.197 49.702 13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.284 47.986 13.885 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.734 48.319 15.843 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.615 50.020 15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.669 49.441 13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.824 47.734 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.969 47.772 14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.456 49.129 15.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.689 49.334 14.151 1.00 0.00 H new ATOM 471 N ILE A 30 47.086 49.027 16.795 1.00 0.00 N ATOM 472 CA ILE A 30 48.107 49.481 17.716 1.00 0.00 C ATOM 473 C ILE A 30 49.445 49.684 17.001 1.00 0.00 C ATOM 474 O ILE A 30 50.131 50.669 17.265 1.00 0.00 O ATOM 475 CB ILE A 30 48.212 48.526 18.901 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.971 48.614 19.786 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.459 48.783 19.744 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.789 47.410 20.705 1.00 0.00 C ATOM 0 H ILE A 30 46.709 48.111 17.037 1.00 0.00 H new ATOM 0 HA ILE A 30 47.820 50.456 18.110 1.00 0.00 H new ATOM 0 HB ILE A 30 48.289 47.522 18.483 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.031 49.518 20.393 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.090 48.713 19.152 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.488 48.078 20.575 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.348 48.654 19.127 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.432 49.801 20.133 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.888 47.542 21.304 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.697 46.505 20.105 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.653 47.322 21.364 1.00 0.00 H new ATOM 490 N GLN A 31 49.791 48.830 16.042 1.00 0.00 N ATOM 491 CA GLN A 31 50.946 49.007 15.183 1.00 0.00 C ATOM 492 C GLN A 31 50.828 50.265 14.322 1.00 0.00 C ATOM 493 O GLN A 31 51.765 51.058 14.251 1.00 0.00 O ATOM 494 CB GLN A 31 51.093 47.755 14.323 1.00 0.00 C ATOM 495 CG GLN A 31 52.304 47.771 13.394 1.00 0.00 C ATOM 496 CD GLN A 31 52.370 46.519 12.519 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.363 45.892 12.195 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.565 46.080 12.134 1.00 0.00 N ATOM 0 H GLN A 31 49.263 47.981 15.841 1.00 0.00 H new ATOM 0 HA GLN A 31 51.837 49.144 15.796 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.162 46.885 14.976 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.191 47.632 13.723 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.262 48.656 12.759 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.215 47.847 13.987 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.406 46.593 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.640 45.230 11.575 1.00 0.00 H new ATOM 507 N ASP A 32 49.674 50.500 13.704 1.00 0.00 N ATOM 508 CA ASP A 32 49.416 51.695 12.925 1.00 0.00 C ATOM 509 C ASP A 32 49.439 52.980 13.754 1.00 0.00 C ATOM 510 O ASP A 32 49.767 54.032 13.211 1.00 0.00 O ATOM 511 CB ASP A 32 48.119 51.484 12.149 1.00 0.00 C ATOM 512 CG ASP A 32 47.709 52.704 11.321 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.238 52.900 10.205 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.839 53.470 11.787 1.00 0.00 O ATOM 0 H ASP A 32 48.885 49.854 13.734 1.00 0.00 H new ATOM 0 HA ASP A 32 50.231 51.847 12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.234 50.625 11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.319 51.242 12.849 1.00 0.00 H new ATOM 519 N LYS A 33 49.195 52.913 15.060 1.00 0.00 N ATOM 520 CA LYS A 33 49.400 54.004 15.992 1.00 0.00 C ATOM 521 C LYS A 33 50.860 54.200 16.406 1.00 0.00 C ATOM 522 O LYS A 33 51.391 55.289 16.202 1.00 0.00 O ATOM 523 CB LYS A 33 48.511 53.881 17.227 1.00 0.00 C ATOM 524 CG LYS A 33 47.003 53.942 17.001 1.00 0.00 C ATOM 525 CD LYS A 33 46.509 55.181 16.261 1.00 0.00 C ATOM 526 CE LYS A 33 44.987 55.179 16.136 1.00 0.00 C ATOM 527 NZ LYS A 33 44.538 56.200 15.178 1.00 0.00 N ATOM 0 H LYS A 33 48.838 52.069 15.507 1.00 0.00 H new ATOM 0 HA LYS A 33 49.108 54.897 15.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.742 52.936 17.719 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.782 54.676 17.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.699 53.058 16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.504 53.893 17.969 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.832 56.077 16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.958 55.218 15.268 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.646 54.196 15.812 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.538 55.367 17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.500 56.180 15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.845 57.139 15.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.950 56.004 14.243 1.00 0.00 H new ATOM 541 N GLU A 34 51.504 53.210 17.017 1.00 0.00 N ATOM 542 CA GLU A 34 52.757 53.359 17.731 1.00 0.00 C ATOM 543 C GLU A 34 53.928 52.548 17.172 1.00 0.00 C ATOM 544 O GLU A 34 55.000 52.511 17.769 1.00 0.00 O ATOM 545 CB GLU A 34 52.550 53.080 19.217 1.00 0.00 C ATOM 546 CG GLU A 34 51.698 54.103 19.962 1.00 0.00 C ATOM 547 CD GLU A 34 52.302 55.508 20.009 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.526 56.480 19.889 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.526 55.663 20.215 1.00 0.00 O ATOM 0 H GLU A 34 51.152 52.253 17.026 1.00 0.00 H new ATOM 0 HA GLU A 34 53.056 54.397 17.583 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.087 52.099 19.324 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.526 53.026 19.699 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.718 54.157 19.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.540 53.753 20.982 1.00 0.00 H new ATOM 556 N GLY A 35 53.770 51.884 16.031 1.00 0.00 N ATOM 557 CA GLY A 35 54.839 51.246 15.290 1.00 0.00 C ATOM 558 C GLY A 35 55.293 49.874 15.792 1.00 0.00 C ATOM 559 O GLY A 35 56.064 49.206 15.105 1.00 0.00 O ATOM 0 H GLY A 35 52.859 51.775 15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.520 51.141 14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.701 51.913 15.293 1.00 0.00 H new ATOM 563 N ILE A 36 54.810 49.426 16.948 1.00 0.00 N ATOM 564 CA ILE A 36 55.168 48.158 17.550 1.00 0.00 C ATOM 565 C ILE A 36 54.492 46.983 16.841 1.00 0.00 C ATOM 566 O ILE A 36 53.270 46.983 16.713 1.00 0.00 O ATOM 567 CB ILE A 36 54.922 48.159 19.056 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.501 48.548 19.454 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.955 49.064 19.721 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.216 48.478 20.951 1.00 0.00 C ATOM 0 H ILE A 36 54.139 49.956 17.503 1.00 0.00 H new ATOM 0 HA ILE A 36 56.241 48.022 17.414 1.00 0.00 H new ATOM 0 HB ILE A 36 55.035 47.133 19.407 1.00 0.00 H new ATOM 0 HG12 ILE A 36 53.307 49.563 19.108 1.00 0.00 H new ATOM 0 HG13 ILE A 36 52.801 47.894 18.934 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.790 49.074 20.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 56.957 48.689 19.510 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.857 50.077 19.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.183 48.771 21.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.374 47.459 21.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.887 49.154 21.481 1.00 0.00 H new ATOM 582 N PRO A 37 55.219 45.978 16.359 1.00 0.00 N ATOM 583 CA PRO A 37 54.651 44.923 15.544 1.00 0.00 C ATOM 584 C PRO A 37 53.818 43.933 16.361 1.00 0.00 C ATOM 585 O PRO A 37 54.199 43.637 17.491 1.00 0.00 O ATOM 586 CB PRO A 37 55.842 44.273 14.846 1.00 0.00 C ATOM 587 CG PRO A 37 56.988 44.478 15.831 1.00 0.00 C ATOM 588 CD PRO A 37 56.658 45.832 16.451 1.00 0.00 C ATOM 0 HA PRO A 37 53.938 45.315 14.819 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.665 43.215 14.651 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.050 44.744 13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.024 43.687 16.580 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.956 44.487 15.330 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.988 45.876 17.489 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.166 46.637 15.920 1.00 0.00 H new ATOM 596 N PRO A 38 52.720 43.385 15.849 1.00 0.00 N ATOM 597 CA PRO A 38 51.848 42.473 16.561 1.00 0.00 C ATOM 598 C PRO A 38 52.520 41.244 17.177 1.00 0.00 C ATOM 599 O PRO A 38 52.109 40.801 18.246 1.00 0.00 O ATOM 600 CB PRO A 38 50.790 42.035 15.552 1.00 0.00 C ATOM 601 CG PRO A 38 50.637 43.286 14.691 1.00 0.00 C ATOM 602 CD PRO A 38 52.075 43.792 14.617 1.00 0.00 C ATOM 0 HA PRO A 38 51.447 43.004 17.425 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.115 41.174 14.967 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.854 41.756 16.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.233 43.057 13.705 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.969 44.017 15.147 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.590 43.372 13.753 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.099 44.876 14.507 1.00 0.00 H new ATOM 610 N ASP A 39 53.582 40.717 16.573 1.00 0.00 N ATOM 611 CA ASP A 39 54.332 39.612 17.136 1.00 0.00 C ATOM 612 C ASP A 39 55.118 39.981 18.396 1.00 0.00 C ATOM 613 O ASP A 39 55.646 39.093 19.061 1.00 0.00 O ATOM 614 CB ASP A 39 55.186 38.933 16.070 1.00 0.00 C ATOM 615 CG ASP A 39 56.507 39.652 15.783 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.553 39.254 16.339 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.504 40.605 14.974 1.00 0.00 O ATOM 0 H ASP A 39 53.942 41.049 15.678 1.00 0.00 H new ATOM 0 HA ASP A 39 53.603 38.880 17.482 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.400 37.912 16.386 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.612 38.867 15.146 1.00 0.00 H new ATOM 622 N GLN A 40 55.160 41.257 18.771 1.00 0.00 N ATOM 623 CA GLN A 40 55.765 41.808 19.966 1.00 0.00 C ATOM 624 C GLN A 40 54.763 42.577 20.828 1.00 0.00 C ATOM 625 O GLN A 40 55.129 43.510 21.539 1.00 0.00 O ATOM 626 CB GLN A 40 56.989 42.637 19.585 1.00 0.00 C ATOM 627 CG GLN A 40 58.017 41.908 18.725 1.00 0.00 C ATOM 628 CD GLN A 40 58.704 40.729 19.416 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.941 40.702 20.622 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.117 39.710 18.668 1.00 0.00 N ATOM 0 H GLN A 40 54.736 41.985 18.196 1.00 0.00 H new ATOM 0 HA GLN A 40 56.100 40.985 20.598 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.655 43.526 19.051 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.477 42.978 20.498 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.525 41.546 17.822 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.779 42.621 18.409 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.934 39.707 17.665 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.617 38.932 19.098 1.00 0.00 H new ATOM 639 N GLN A 41 53.487 42.209 20.754 1.00 0.00 N ATOM 640 CA GLN A 41 52.405 42.698 21.585 1.00 0.00 C ATOM 641 C GLN A 41 51.663 41.539 22.254 1.00 0.00 C ATOM 642 O GLN A 41 51.086 40.708 21.556 1.00 0.00 O ATOM 643 CB GLN A 41 51.397 43.487 20.754 1.00 0.00 C ATOM 644 CG GLN A 41 51.877 44.741 20.028 1.00 0.00 C ATOM 645 CD GLN A 41 50.728 45.351 19.221 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.570 45.336 19.630 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.952 45.888 18.025 1.00 0.00 N ATOM 0 H GLN A 41 53.168 41.522 20.071 1.00 0.00 H new ATOM 0 HA GLN A 41 52.850 43.342 22.344 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.980 42.811 20.008 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.579 43.778 21.413 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.252 45.468 20.749 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.706 44.493 19.365 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.900 45.920 17.650 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.176 46.268 17.483 1.00 0.00 H new ATOM 656 N ARG A 42 51.578 41.522 23.581 1.00 0.00 N ATOM 657 CA ARG A 42 50.631 40.730 24.337 1.00 0.00 C ATOM 658 C ARG A 42 49.669 41.658 25.084 1.00 0.00 C ATOM 659 O ARG A 42 50.133 42.511 25.837 1.00 0.00 O ATOM 660 CB ARG A 42 51.341 39.788 25.306 1.00 0.00 C ATOM 661 CG ARG A 42 51.456 38.348 24.818 1.00 0.00 C ATOM 662 CD ARG A 42 52.354 38.187 23.595 1.00 0.00 C ATOM 663 NE ARG A 42 52.519 36.780 23.230 1.00 0.00 N ATOM 664 CZ ARG A 42 53.483 35.944 23.640 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.405 36.317 24.538 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.562 34.698 23.156 1.00 0.00 N ATOM 0 H ARG A 42 52.191 42.081 24.174 1.00 0.00 H new ATOM 0 HA ARG A 42 50.063 40.110 23.643 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.342 40.174 25.500 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.807 39.795 26.256 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.844 37.729 25.627 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.461 37.974 24.579 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.927 38.734 22.755 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.330 38.628 23.799 1.00 0.00 H new ATOM 0 HE ARG A 42 51.823 36.392 22.593 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.385 37.259 24.928 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.127 35.659 24.831 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.883 34.375 22.467 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.301 34.072 23.477 1.00 0.00 H new ATOM 680 N LEU A 43 48.365 41.495 24.882 1.00 0.00 N ATOM 681 CA LEU A 43 47.332 42.333 25.458 1.00 0.00 C ATOM 682 C LEU A 43 46.731 41.675 26.702 1.00 0.00 C ATOM 683 O LEU A 43 46.108 40.622 26.590 1.00 0.00 O ATOM 684 CB LEU A 43 46.245 42.626 24.429 1.00 0.00 C ATOM 685 CG LEU A 43 46.678 43.138 23.058 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.449 43.556 22.256 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.614 44.340 23.124 1.00 0.00 C ATOM 0 H LEU A 43 47.992 40.750 24.293 1.00 0.00 H new ATOM 0 HA LEU A 43 47.787 43.277 25.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.672 41.711 24.278 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.565 43.361 24.861 1.00 0.00 H new ATOM 0 HG LEU A 43 47.216 42.315 22.587 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.760 43.921 21.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.788 42.699 22.130 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.920 44.347 22.787 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.880 44.650 22.113 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.114 45.163 23.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.517 44.068 23.670 1.00 0.00 H new ATOM 699 N ILE A 44 46.883 42.293 27.870 1.00 0.00 N ATOM 700 CA ILE A 44 46.395 41.797 29.141 1.00 0.00 C ATOM 701 C ILE A 44 45.337 42.736 29.723 1.00 0.00 C ATOM 702 O ILE A 44 45.608 43.908 29.977 1.00 0.00 O ATOM 703 CB ILE A 44 47.528 41.563 30.135 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.738 40.807 29.592 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.998 40.868 31.386 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.487 39.420 29.009 1.00 0.00 C ATOM 0 H ILE A 44 47.369 43.186 27.954 1.00 0.00 H new ATOM 0 HA ILE A 44 45.928 40.830 28.954 1.00 0.00 H new ATOM 0 HB ILE A 44 47.900 42.560 30.370 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.201 41.420 28.819 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.465 40.708 30.398 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.817 40.707 32.087 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.237 41.492 31.854 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.561 39.908 31.111 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.429 38.996 28.660 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.060 38.774 29.777 1.00 0.00 H new ATOM 0 HD13 ILE A 44 47.792 39.497 28.173 1.00 0.00 H new ATOM 718 N PHE A 45 44.151 42.206 30.014 1.00 0.00 N ATOM 719 CA PHE A 45 43.044 42.896 30.643 1.00 0.00 C ATOM 720 C PHE A 45 42.551 42.128 31.870 1.00 0.00 C ATOM 721 O PHE A 45 42.125 40.982 31.737 1.00 0.00 O ATOM 722 CB PHE A 45 41.914 43.062 29.631 1.00 0.00 C ATOM 723 CG PHE A 45 40.661 43.636 30.248 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.581 45.010 30.512 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.609 42.798 30.637 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.467 45.541 31.173 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.486 43.327 31.284 1.00 0.00 C ATOM 728 CZ PHE A 45 38.417 44.699 31.556 1.00 0.00 C ATOM 0 H PHE A 45 43.932 41.232 29.803 1.00 0.00 H new ATOM 0 HA PHE A 45 43.381 43.878 30.976 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.248 43.713 28.823 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.685 42.094 29.186 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.384 45.663 30.204 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.664 41.738 30.437 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.418 46.598 31.387 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.673 42.677 31.573 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.554 45.107 32.061 1.00 0.00 H new ATOM 738 N ALA A 46 42.570 42.748 33.047 1.00 0.00 N ATOM 739 CA ALA A 46 42.003 42.229 34.275 1.00 0.00 C ATOM 740 C ALA A 46 42.330 40.761 34.558 1.00 0.00 C ATOM 741 O ALA A 46 41.447 39.929 34.750 1.00 0.00 O ATOM 742 CB ALA A 46 40.514 42.564 34.293 1.00 0.00 C ATOM 0 H ALA A 46 43.001 43.664 33.169 1.00 0.00 H new ATOM 0 HA ALA A 46 42.483 42.724 35.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.066 42.182 35.210 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.384 43.645 34.249 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.027 42.104 33.433 1.00 0.00 H new ATOM 748 N GLY A 47 43.616 40.424 34.514 1.00 0.00 N ATOM 749 CA GLY A 47 44.137 39.083 34.692 1.00 0.00 C ATOM 750 C GLY A 47 43.919 38.104 33.537 1.00 0.00 C ATOM 751 O GLY A 47 44.294 36.942 33.674 1.00 0.00 O ATOM 0 H GLY A 47 44.350 41.112 34.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.208 39.156 34.879 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.685 38.658 35.588 1.00 0.00 H new ATOM 755 N LYS A 48 43.344 38.523 32.414 1.00 0.00 N ATOM 756 CA LYS A 48 43.120 37.732 31.220 1.00 0.00 C ATOM 757 C LYS A 48 44.058 38.171 30.093 1.00 0.00 C ATOM 758 O LYS A 48 44.080 39.348 29.739 1.00 0.00 O ATOM 759 CB LYS A 48 41.671 37.856 30.756 1.00 0.00 C ATOM 760 CG LYS A 48 40.637 37.520 31.828 1.00 0.00 C ATOM 761 CD LYS A 48 39.213 37.457 31.283 1.00 0.00 C ATOM 762 CE LYS A 48 38.703 38.795 30.754 1.00 0.00 C ATOM 763 NZ LYS A 48 37.273 38.714 30.417 1.00 0.00 N ATOM 0 H LYS A 48 43.004 39.479 32.312 1.00 0.00 H new ATOM 0 HA LYS A 48 43.327 36.691 31.467 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.499 38.875 30.409 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.518 37.197 29.901 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.890 36.561 32.281 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.685 38.269 32.619 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.172 36.719 30.482 1.00 0.00 H new ATOM 0 HD3 LYS A 48 38.546 37.109 32.072 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.861 39.571 31.503 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.273 39.083 29.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.113 39.136 29.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 36.975 37.718 30.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 36.719 39.231 31.129 1.00 0.00 H new ATOM 777 N GLN A 49 44.776 37.236 29.478 1.00 0.00 N ATOM 778 CA GLN A 49 45.427 37.458 28.202 1.00 0.00 C ATOM 779 C GLN A 49 44.403 37.330 27.074 1.00 0.00 C ATOM 780 O GLN A 49 43.613 36.387 27.069 1.00 0.00 O ATOM 781 CB GLN A 49 46.602 36.497 28.049 1.00 0.00 C ATOM 782 CG GLN A 49 47.333 36.678 26.722 1.00 0.00 C ATOM 783 CD GLN A 49 48.673 35.944 26.654 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.357 35.716 27.649 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.121 35.572 25.458 1.00 0.00 N ATOM 0 H GLN A 49 44.920 36.300 29.857 1.00 0.00 H new ATOM 0 HA GLN A 49 45.833 38.468 28.153 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.302 36.650 28.870 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.241 35.471 28.125 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.693 36.324 25.914 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.502 37.741 26.552 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.563 35.756 24.624 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.023 35.103 25.374 1.00 0.00 H new ATOM 794 N LEU A 50 44.407 38.266 26.128 1.00 0.00 N ATOM 795 CA LEU A 50 43.475 38.293 25.019 1.00 0.00 C ATOM 796 C LEU A 50 44.086 37.626 23.784 1.00 0.00 C ATOM 797 O LEU A 50 45.055 38.139 23.230 1.00 0.00 O ATOM 798 CB LEU A 50 43.037 39.729 24.741 1.00 0.00 C ATOM 799 CG LEU A 50 42.550 40.532 25.945 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.122 41.922 25.486 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.373 39.884 26.667 1.00 0.00 C ATOM 0 H LEU A 50 45.073 39.038 26.116 1.00 0.00 H new ATOM 0 HA LEU A 50 42.585 37.721 25.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.875 40.261 24.291 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.239 39.706 23.999 1.00 0.00 H new ATOM 0 HG LEU A 50 43.384 40.577 26.646 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.774 42.497 26.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.970 42.431 25.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.316 41.833 24.758 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.077 40.506 27.512 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.534 39.784 25.978 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.666 38.898 27.027 1.00 0.00 H new ATOM 813 N GLU A 51 43.544 36.491 23.354 1.00 0.00 N ATOM 814 CA GLU A 51 43.994 35.766 22.183 1.00 0.00 C ATOM 815 C GLU A 51 43.552 36.393 20.859 1.00 0.00 C ATOM 816 O GLU A 51 42.395 36.774 20.695 1.00 0.00 O ATOM 817 CB GLU A 51 43.503 34.321 22.212 1.00 0.00 C ATOM 818 CG GLU A 51 44.230 33.463 23.243 1.00 0.00 C ATOM 819 CD GLU A 51 43.768 32.008 23.138 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.046 31.518 24.033 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.133 31.326 22.157 1.00 0.00 O ATOM 0 H GLU A 51 42.759 36.043 23.827 1.00 0.00 H new ATOM 0 HA GLU A 51 45.082 35.809 22.228 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.435 34.311 22.428 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.633 33.879 21.224 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.307 33.523 23.083 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.035 33.843 24.246 1.00 0.00 H new ATOM 828 N ASP A 52 44.448 36.393 19.877 1.00 0.00 N ATOM 829 CA ASP A 52 44.249 36.901 18.534 1.00 0.00 C ATOM 830 C ASP A 52 43.050 36.270 17.822 1.00 0.00 C ATOM 831 O ASP A 52 42.318 36.951 17.106 1.00 0.00 O ATOM 832 CB ASP A 52 45.515 36.662 17.717 1.00 0.00 C ATOM 833 CG ASP A 52 46.777 37.239 18.362 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.376 36.564 19.227 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.203 38.355 17.998 1.00 0.00 O ATOM 0 H ASP A 52 45.386 36.015 20.011 1.00 0.00 H new ATOM 0 HA ASP A 52 44.036 37.967 18.620 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.648 35.590 17.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.388 37.103 16.728 1.00 0.00 H new ATOM 840 N GLY A 53 42.812 34.986 18.070 1.00 0.00 N ATOM 841 CA GLY A 53 41.725 34.192 17.533 1.00 0.00 C ATOM 842 C GLY A 53 40.345 34.449 18.144 1.00 0.00 C ATOM 843 O GLY A 53 39.457 33.617 17.975 1.00 0.00 O ATOM 0 H GLY A 53 43.413 34.444 18.690 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.665 34.372 16.460 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.970 33.138 17.667 1.00 0.00 H new ATOM 847 N ARG A 54 40.144 35.553 18.856 1.00 0.00 N ATOM 848 CA ARG A 54 38.877 35.948 19.437 1.00 0.00 C ATOM 849 C ARG A 54 38.544 37.413 19.145 1.00 0.00 C ATOM 850 O ARG A 54 39.394 38.170 18.683 1.00 0.00 O ATOM 851 CB ARG A 54 38.904 35.679 20.939 1.00 0.00 C ATOM 852 CG ARG A 54 39.050 34.214 21.343 1.00 0.00 C ATOM 853 CD ARG A 54 37.820 33.388 20.978 1.00 0.00 C ATOM 854 NE ARG A 54 38.003 31.973 21.308 1.00 0.00 N ATOM 855 CZ ARG A 54 38.254 30.978 20.447 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.523 31.184 19.150 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.247 29.695 20.836 1.00 0.00 N ATOM 0 H ARG A 54 40.892 36.219 19.048 1.00 0.00 H new ATOM 0 HA ARG A 54 38.087 35.353 18.978 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.729 36.242 21.376 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.985 36.068 21.377 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.928 33.790 20.855 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.222 34.151 22.418 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.950 33.776 21.508 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.616 33.490 19.912 1.00 0.00 H new ATOM 0 HE ARG A 54 37.932 31.719 22.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.543 32.133 18.778 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.708 30.391 18.535 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.047 29.458 21.808 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.441 28.956 20.160 1.00 0.00 H new ATOM 871 N THR A 55 37.310 37.814 19.439 1.00 0.00 N ATOM 872 CA THR A 55 36.863 39.192 19.404 1.00 0.00 C ATOM 873 C THR A 55 36.750 39.807 20.800 1.00 0.00 C ATOM 874 O THR A 55 36.727 39.106 21.809 1.00 0.00 O ATOM 875 CB THR A 55 35.549 39.360 18.647 1.00 0.00 C ATOM 876 OG1 THR A 55 34.472 38.772 19.342 1.00 0.00 O ATOM 877 CG2 THR A 55 35.593 38.761 17.244 1.00 0.00 C ATOM 0 H THR A 55 36.575 37.163 19.716 1.00 0.00 H new ATOM 0 HA THR A 55 37.637 39.734 18.860 1.00 0.00 H new ATOM 0 HB THR A 55 35.401 40.437 18.565 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.566 37.797 19.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.631 38.911 16.754 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.376 39.250 16.664 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.804 37.694 17.311 1.00 0.00 H new ATOM 885 N LEU A 56 36.654 41.132 20.856 1.00 0.00 N ATOM 886 CA LEU A 56 36.481 41.877 22.088 1.00 0.00 C ATOM 887 C LEU A 56 35.249 41.435 22.881 1.00 0.00 C ATOM 888 O LEU A 56 35.321 41.302 24.101 1.00 0.00 O ATOM 889 CB LEU A 56 36.393 43.359 21.736 1.00 0.00 C ATOM 890 CG LEU A 56 37.708 43.985 21.280 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.417 45.318 20.595 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.648 44.243 22.453 1.00 0.00 C ATOM 0 H LEU A 56 36.696 41.725 20.027 1.00 0.00 H new ATOM 0 HA LEU A 56 37.337 41.683 22.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.652 43.488 20.947 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.029 43.904 22.607 1.00 0.00 H new ATOM 0 HG LEU A 56 38.190 43.287 20.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.353 45.770 20.267 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.773 45.151 19.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.917 45.986 21.297 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.573 44.689 22.087 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.171 44.924 23.158 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.873 43.301 22.953 1.00 0.00 H new ATOM 904 N SER A 57 34.138 41.159 22.206 1.00 0.00 N ATOM 905 CA SER A 57 32.914 40.674 22.812 1.00 0.00 C ATOM 906 C SER A 57 32.983 39.227 23.305 1.00 0.00 C ATOM 907 O SER A 57 32.337 38.917 24.302 1.00 0.00 O ATOM 908 CB SER A 57 31.724 40.853 21.874 1.00 0.00 C ATOM 909 OG SER A 57 31.977 40.318 20.594 1.00 0.00 O ATOM 0 H SER A 57 34.068 41.271 21.195 1.00 0.00 H new ATOM 0 HA SER A 57 32.777 41.291 23.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.847 40.368 22.303 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.489 41.914 21.784 1.00 0.00 H new ATOM 0 HG SER A 57 32.496 40.961 20.067 1.00 0.00 H new ATOM 915 N ASP A 58 33.794 38.352 22.716 1.00 0.00 N ATOM 916 CA ASP A 58 34.025 37.022 23.244 1.00 0.00 C ATOM 917 C ASP A 58 34.744 37.059 24.594 1.00 0.00 C ATOM 918 O ASP A 58 34.455 36.253 25.474 1.00 0.00 O ATOM 919 CB ASP A 58 34.856 36.181 22.277 1.00 0.00 C ATOM 920 CG ASP A 58 34.197 35.961 20.913 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.040 35.490 20.861 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.864 36.251 19.898 1.00 0.00 O ATOM 0 H ASP A 58 34.308 38.551 21.858 1.00 0.00 H new ATOM 0 HA ASP A 58 33.041 36.572 23.376 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.821 36.666 22.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.053 35.211 22.734 1.00 0.00 H new ATOM 927 N TYR A 59 35.647 38.018 24.775 1.00 0.00 N ATOM 928 CA TYR A 59 36.302 38.309 26.035 1.00 0.00 C ATOM 929 C TYR A 59 35.502 39.226 26.961 1.00 0.00 C ATOM 930 O TYR A 59 36.002 39.578 28.028 1.00 0.00 O ATOM 931 CB TYR A 59 37.710 38.831 25.762 1.00 0.00 C ATOM 932 CG TYR A 59 38.741 37.743 25.579 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.205 37.040 26.697 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.272 37.464 24.314 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.185 36.049 26.563 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.271 36.493 24.172 1.00 0.00 C ATOM 937 CZ TYR A 59 40.724 35.770 25.293 1.00 0.00 C ATOM 938 OH TYR A 59 41.677 34.810 25.118 1.00 0.00 O ATOM 0 H TYR A 59 35.950 38.632 24.019 1.00 0.00 H new ATOM 0 HA TYR A 59 36.368 37.375 26.593 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.689 39.453 24.867 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.016 39.472 26.589 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.803 37.264 27.674 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.911 37.998 23.447 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.526 35.502 27.429 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.696 36.298 23.199 1.00 0.00 H new ATOM 0 HH TYR A 59 42.460 35.022 25.669 1.00 0.00 H new ATOM 948 N ASN A 60 34.275 39.599 26.608 1.00 0.00 N ATOM 949 CA ASN A 60 33.420 40.507 27.347 1.00 0.00 C ATOM 950 C ASN A 60 34.093 41.833 27.706 1.00 0.00 C ATOM 951 O ASN A 60 33.998 42.296 28.841 1.00 0.00 O ATOM 952 CB ASN A 60 32.781 39.813 28.546 1.00 0.00 C ATOM 953 CG ASN A 60 32.073 38.497 28.216 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.406 37.446 28.760 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.059 38.500 27.356 1.00 0.00 N ATOM 0 H ASN A 60 33.833 39.256 25.755 1.00 0.00 H new ATOM 0 HA ASN A 60 32.613 40.790 26.672 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.553 39.619 29.291 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.062 40.493 29.002 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.562 37.633 27.151 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.778 39.369 26.902 1.00 0.00 H new ATOM 962 N ILE A 61 34.797 42.450 26.762 1.00 0.00 N ATOM 963 CA ILE A 61 35.350 43.781 26.911 1.00 0.00 C ATOM 964 C ILE A 61 34.257 44.806 26.598 1.00 0.00 C ATOM 965 O ILE A 61 33.629 44.729 25.544 1.00 0.00 O ATOM 966 CB ILE A 61 36.579 43.965 26.025 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.636 42.876 26.186 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.207 45.337 26.254 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.203 42.684 27.589 1.00 0.00 C ATOM 0 H ILE A 61 35.000 42.026 25.857 1.00 0.00 H new ATOM 0 HA ILE A 61 35.686 43.929 27.937 1.00 0.00 H new ATOM 0 HB ILE A 61 36.213 43.886 25.001 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.204 41.930 25.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.462 43.099 25.511 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.082 45.448 25.613 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.481 46.114 26.015 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.508 45.430 27.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.943 41.884 27.576 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.674 43.609 27.921 1.00 0.00 H new ATOM 0 HD13 ILE A 61 37.397 42.422 28.274 1.00 0.00 H new ATOM 981 N GLN A 62 34.030 45.758 27.499 1.00 0.00 N ATOM 982 CA GLN A 62 33.018 46.789 27.388 1.00 0.00 C ATOM 983 C GLN A 62 33.595 48.200 27.513 1.00 0.00 C ATOM 984 O GLN A 62 34.800 48.365 27.686 1.00 0.00 O ATOM 985 CB GLN A 62 31.905 46.513 28.396 1.00 0.00 C ATOM 986 CG GLN A 62 32.274 46.751 29.858 1.00 0.00 C ATOM 987 CD GLN A 62 31.027 46.698 30.742 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.294 47.676 30.876 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.706 45.553 31.337 1.00 0.00 N ATOM 0 H GLN A 62 34.572 45.830 28.360 1.00 0.00 H new ATOM 0 HA GLN A 62 32.593 46.752 26.385 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.049 47.141 28.148 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.584 45.477 28.283 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.991 45.998 30.185 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.760 47.721 29.963 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.308 44.737 31.231 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.857 45.491 31.899 1.00 0.00 H new ATOM 998 N LYS A 63 32.738 49.216 27.456 1.00 0.00 N ATOM 999 CA LYS A 63 33.078 50.618 27.593 1.00 0.00 C ATOM 1000 C LYS A 63 34.057 50.945 28.723 1.00 0.00 C ATOM 1001 O LYS A 63 33.942 50.446 29.841 1.00 0.00 O ATOM 1002 CB LYS A 63 31.804 51.444 27.742 1.00 0.00 C ATOM 1003 CG LYS A 63 30.917 51.065 28.925 1.00 0.00 C ATOM 1004 CD LYS A 63 29.644 51.907 28.920 1.00 0.00 C ATOM 1005 CE LYS A 63 28.763 51.573 30.121 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.565 52.427 30.136 1.00 0.00 N ATOM 0 H LYS A 63 31.740 49.070 27.305 1.00 0.00 H new ATOM 0 HA LYS A 63 33.609 50.880 26.678 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.080 52.494 27.838 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.220 51.350 26.826 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.662 50.007 28.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.459 51.217 29.859 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.904 52.965 28.938 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.090 51.730 27.998 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.468 50.524 30.083 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.327 51.712 31.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.977 52.186 30.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.851 53.425 30.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.019 52.274 29.264 1.00 0.00 H new ATOM 1020 N GLU A 64 34.990 51.842 28.417 1.00 0.00 N ATOM 1021 CA GLU A 64 36.003 52.365 29.310 1.00 0.00 C ATOM 1022 C GLU A 64 36.878 51.288 29.955 1.00 0.00 C ATOM 1023 O GLU A 64 37.326 51.433 31.090 1.00 0.00 O ATOM 1024 CB GLU A 64 35.408 53.386 30.276 1.00 0.00 C ATOM 1025 CG GLU A 64 34.801 54.588 29.560 1.00 0.00 C ATOM 1026 CD GLU A 64 34.289 55.651 30.533 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.266 55.406 31.209 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.876 56.753 30.592 1.00 0.00 O ATOM 0 H GLU A 64 35.058 52.243 27.482 1.00 0.00 H new ATOM 0 HA GLU A 64 36.722 52.915 28.702 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.641 52.903 30.882 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.185 53.729 30.960 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.549 55.031 28.903 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.979 54.253 28.927 1.00 0.00 H new ATOM 1035 N SER A 65 37.147 50.198 29.243 1.00 0.00 N ATOM 1036 CA SER A 65 38.053 49.154 29.677 1.00 0.00 C ATOM 1037 C SER A 65 39.518 49.529 29.442 1.00 0.00 C ATOM 1038 O SER A 65 39.876 49.916 28.331 1.00 0.00 O ATOM 1039 CB SER A 65 37.748 47.834 28.975 1.00 0.00 C ATOM 1040 OG SER A 65 36.492 47.341 29.386 1.00 0.00 O ATOM 0 H SER A 65 36.730 50.017 28.330 1.00 0.00 H new ATOM 0 HA SER A 65 37.898 49.036 30.749 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.754 47.979 27.895 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.525 47.105 29.203 1.00 0.00 H new ATOM 0 HG SER A 65 35.780 47.850 28.945 1.00 0.00 H new ATOM 1046 N THR A 66 40.370 49.376 30.451 1.00 0.00 N ATOM 1047 CA THR A 66 41.794 49.630 30.360 1.00 0.00 C ATOM 1048 C THR A 66 42.588 48.323 30.333 1.00 0.00 C ATOM 1049 O THR A 66 42.533 47.541 31.280 1.00 0.00 O ATOM 1050 CB THR A 66 42.300 50.511 31.499 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.592 51.731 31.533 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.773 50.881 31.354 1.00 0.00 C ATOM 0 H THR A 66 40.076 49.064 31.376 1.00 0.00 H new ATOM 0 HA THR A 66 41.950 50.166 29.424 1.00 0.00 H new ATOM 0 HB THR A 66 42.153 49.923 32.405 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.927 52.283 32.270 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.075 51.508 32.193 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.377 49.974 31.343 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.921 51.426 30.422 1.00 0.00 H new ATOM 1060 N LEU A 67 43.369 48.107 29.278 1.00 0.00 N ATOM 1061 CA LEU A 67 44.277 46.989 29.118 1.00 0.00 C ATOM 1062 C LEU A 67 45.730 47.455 29.003 1.00 0.00 C ATOM 1063 O LEU A 67 46.004 48.604 28.662 1.00 0.00 O ATOM 1064 CB LEU A 67 43.798 46.083 27.987 1.00 0.00 C ATOM 1065 CG LEU A 67 43.980 46.576 26.554 1.00 0.00 C ATOM 1066 CD1 LEU A 67 45.390 46.341 26.017 1.00 0.00 C ATOM 1067 CD2 LEU A 67 43.034 45.809 25.636 1.00 0.00 C ATOM 0 H LEU A 67 43.382 48.739 28.478 1.00 0.00 H new ATOM 0 HA LEU A 67 44.265 46.374 30.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.315 45.128 28.081 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.737 45.887 28.141 1.00 0.00 H new ATOM 0 HG LEU A 67 43.779 47.647 26.570 1.00 0.00 H new ATOM 0 HD11 LEU A 67 45.457 46.713 24.994 1.00 0.00 H new ATOM 0 HD12 LEU A 67 46.110 46.869 26.642 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.611 45.274 26.030 1.00 0.00 H new ATOM 0 HD21 LEU A 67 43.160 46.157 24.611 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.261 44.744 25.688 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.004 45.977 25.952 1.00 0.00 H new ATOM 1079 N HIS A 68 46.668 46.553 29.279 1.00 0.00 N ATOM 1080 CA HIS A 68 48.094 46.813 29.277 1.00 0.00 C ATOM 1081 C HIS A 68 48.824 45.922 28.269 1.00 0.00 C ATOM 1082 O HIS A 68 48.382 44.808 27.997 1.00 0.00 O ATOM 1083 CB HIS A 68 48.658 46.599 30.679 1.00 0.00 C ATOM 1084 CG HIS A 68 48.193 47.601 31.701 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.979 48.613 32.248 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.974 47.612 32.329 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.224 49.227 33.162 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.014 48.649 33.241 1.00 0.00 N ATOM 0 H HIS A 68 46.442 45.588 29.518 1.00 0.00 H new ATOM 0 HA HIS A 68 48.252 47.849 28.977 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.384 45.600 31.018 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.746 46.631 30.627 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.146 46.942 32.147 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.542 50.071 33.756 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.257 48.927 33.865 1.00 0.00 H new ATOM 1096 N LEU A 69 49.959 46.396 27.761 1.00 0.00 N ATOM 1097 CA LEU A 69 50.940 45.578 27.077 1.00 0.00 C ATOM 1098 C LEU A 69 52.070 45.231 28.049 1.00 0.00 C ATOM 1099 O LEU A 69 52.486 46.078 28.837 1.00 0.00 O ATOM 1100 CB LEU A 69 51.462 46.247 25.808 1.00 0.00 C ATOM 1101 CG LEU A 69 50.531 46.160 24.603 1.00 0.00 C ATOM 1102 CD1 LEU A 69 49.239 46.954 24.778 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.207 46.689 23.340 1.00 0.00 C ATOM 0 H LEU A 69 50.222 47.380 27.818 1.00 0.00 H new ATOM 0 HA LEU A 69 50.461 44.656 26.749 1.00 0.00 H new ATOM 0 HB2 LEU A 69 51.656 47.298 26.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.417 45.794 25.543 1.00 0.00 H new ATOM 0 HG LEU A 69 50.294 45.100 24.514 1.00 0.00 H new ATOM 0 HD11 LEU A 69 48.623 46.849 23.885 1.00 0.00 H new ATOM 0 HD12 LEU A 69 48.693 46.575 25.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.477 48.006 24.933 1.00 0.00 H new ATOM 0 HD21 LEU A 69 50.517 46.613 22.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.487 47.732 23.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.100 46.100 23.131 1.00 0.00 H new ATOM 1115 N VAL A 70 52.545 43.989 28.014 1.00 0.00 N ATOM 1116 CA VAL A 70 53.410 43.418 29.026 1.00 0.00 C ATOM 1117 C VAL A 70 54.839 43.152 28.548 1.00 0.00 C ATOM 1118 O VAL A 70 55.075 42.862 27.378 1.00 0.00 O ATOM 1119 CB VAL A 70 52.800 42.163 29.642 1.00 0.00 C ATOM 1120 CG1 VAL A 70 51.644 42.539 30.565 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.345 41.130 28.615 1.00 0.00 C ATOM 0 H VAL A 70 52.329 43.339 27.258 1.00 0.00 H new ATOM 0 HA VAL A 70 53.490 44.184 29.798 1.00 0.00 H new ATOM 0 HB VAL A 70 53.596 41.687 30.215 1.00 0.00 H new ATOM 0 HG11 VAL A 70 51.216 41.635 30.999 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.010 43.186 31.362 1.00 0.00 H new ATOM 0 HG13 VAL A 70 50.879 43.065 29.994 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.923 40.267 29.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.589 41.571 27.966 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.198 40.813 28.015 1.00 0.00 H new