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 115:sc= 0.214 USER MOD Set 1.2: A 57 SER OG : rot -95:sc= 1.44 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.984 (180deg=0.964) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.14 (180deg=0.132!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0495 K(o=-0.05,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.41 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.87) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.45 K(o=1.4,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.02) USER MOD Single : A 49 GLN : amide:sc= 0.906 K(o=0.91,f=-3.3!) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.521 USER MOD Single : A 60 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.32) USER MOD Single : A 62 GLN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00878 X(o=-0.0088,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.655 51.806 19.539 1.00 0.00 N ATOM 2 CA MET A 1 33.054 52.170 20.908 1.00 0.00 C ATOM 3 C MET A 1 34.541 52.522 20.986 1.00 0.00 C ATOM 4 O MET A 1 35.341 51.999 20.213 1.00 0.00 O ATOM 5 CB MET A 1 32.694 51.104 21.939 1.00 0.00 C ATOM 6 CG MET A 1 33.483 49.803 21.823 1.00 0.00 C ATOM 7 SD MET A 1 33.141 48.612 23.141 1.00 0.00 S ATOM 8 CE MET A 1 34.358 47.338 22.725 1.00 0.00 C ATOM 0 H1 MET A 1 31.674 51.460 19.544 1.00 0.00 H new ATOM 0 H2 MET A 1 32.725 52.641 18.923 1.00 0.00 H new ATOM 0 H3 MET A 1 33.284 51.059 19.181 1.00 0.00 H new ATOM 0 HA MET A 1 32.477 53.059 21.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.848 51.517 22.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.632 50.877 21.849 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.260 49.339 20.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.548 50.035 21.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.287 46.519 23.441 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.161 46.960 21.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.360 47.766 22.761 1.00 0.00 H new ATOM 20 N GLN A 2 34.915 53.344 21.962 1.00 0.00 N ATOM 21 CA GLN A 2 36.286 53.677 22.292 1.00 0.00 C ATOM 22 C GLN A 2 36.794 52.815 23.449 1.00 0.00 C ATOM 23 O GLN A 2 36.077 52.600 24.424 1.00 0.00 O ATOM 24 CB GLN A 2 36.394 55.172 22.583 1.00 0.00 C ATOM 25 CG GLN A 2 37.827 55.654 22.789 1.00 0.00 C ATOM 26 CD GLN A 2 37.889 57.165 23.029 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.415 57.682 24.039 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.488 57.931 22.121 1.00 0.00 N ATOM 0 H GLN A 2 34.239 53.812 22.566 1.00 0.00 H new ATOM 0 HA GLN A 2 36.930 53.457 21.440 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.948 55.727 21.758 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.811 55.403 23.474 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.267 55.132 23.639 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.425 55.400 21.914 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.884 57.511 21.280 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.551 58.939 22.266 1.00 0.00 H new ATOM 37 N ILE A 3 38.039 52.357 23.365 1.00 0.00 N ATOM 38 CA ILE A 3 38.771 51.734 24.450 1.00 0.00 C ATOM 39 C ILE A 3 40.146 52.383 24.612 1.00 0.00 C ATOM 40 O ILE A 3 40.597 53.127 23.745 1.00 0.00 O ATOM 41 CB ILE A 3 38.868 50.220 24.284 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.651 49.810 23.040 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.480 49.588 24.327 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.992 48.324 22.976 1.00 0.00 C ATOM 0 H ILE A 3 38.582 52.414 22.504 1.00 0.00 H new ATOM 0 HA ILE A 3 38.211 51.903 25.370 1.00 0.00 H new ATOM 0 HB ILE A 3 39.441 49.835 25.128 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.072 50.077 22.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.576 50.385 23.001 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.568 48.508 24.207 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.009 49.810 25.285 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.870 49.994 23.520 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.548 48.117 22.062 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.600 48.053 23.839 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.072 47.739 22.981 1.00 0.00 H new ATOM 56 N PHE A 4 40.828 52.073 25.711 1.00 0.00 N ATOM 57 CA PHE A 4 42.171 52.536 25.998 1.00 0.00 C ATOM 58 C PHE A 4 43.161 51.372 26.089 1.00 0.00 C ATOM 59 O PHE A 4 42.800 50.270 26.494 1.00 0.00 O ATOM 60 CB PHE A 4 42.178 53.366 27.278 1.00 0.00 C ATOM 61 CG PHE A 4 41.084 54.400 27.392 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.005 55.447 26.466 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.150 54.325 28.432 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.996 56.412 26.573 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.153 55.300 28.552 1.00 0.00 C ATOM 66 CZ PHE A 4 39.074 56.344 27.623 1.00 0.00 C ATOM 0 H PHE A 4 40.445 51.475 26.444 1.00 0.00 H new ATOM 0 HA PHE A 4 42.496 53.168 25.172 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.103 52.689 28.129 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.140 53.872 27.356 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.726 55.511 25.665 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.199 53.513 29.143 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.930 57.208 25.846 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.443 55.247 29.364 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.303 57.095 27.717 1.00 0.00 H new ATOM 76 N VAL A 5 44.425 51.617 25.754 1.00 0.00 N ATOM 77 CA VAL A 5 45.514 50.683 25.956 1.00 0.00 C ATOM 78 C VAL A 5 46.694 51.404 26.614 1.00 0.00 C ATOM 79 O VAL A 5 47.035 52.505 26.189 1.00 0.00 O ATOM 80 CB VAL A 5 45.929 49.994 24.660 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.032 48.964 24.898 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.757 49.270 24.005 1.00 0.00 C ATOM 0 H VAL A 5 44.721 52.494 25.325 1.00 0.00 H new ATOM 0 HA VAL A 5 45.168 49.893 26.622 1.00 0.00 H new ATOM 0 HB VAL A 5 46.291 50.787 24.005 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.301 48.494 23.952 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.907 49.459 25.319 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.676 48.203 25.593 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.093 48.792 23.085 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.370 48.513 24.687 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.969 49.987 23.775 1.00 0.00 H new ATOM 92 N LYS A 6 47.309 50.794 27.622 1.00 0.00 N ATOM 93 CA LYS A 6 48.457 51.310 28.342 1.00 0.00 C ATOM 94 C LYS A 6 49.670 50.385 28.225 1.00 0.00 C ATOM 95 O LYS A 6 49.560 49.201 28.536 1.00 0.00 O ATOM 96 CB LYS A 6 48.059 51.602 29.786 1.00 0.00 C ATOM 97 CG LYS A 6 49.179 52.260 30.587 1.00 0.00 C ATOM 98 CD LYS A 6 48.716 52.782 31.944 1.00 0.00 C ATOM 99 CE LYS A 6 48.156 51.721 32.887 1.00 0.00 C ATOM 100 NZ LYS A 6 49.181 50.776 33.356 1.00 0.00 N ATOM 0 H LYS A 6 47.003 49.886 27.971 1.00 0.00 H new ATOM 0 HA LYS A 6 48.774 52.248 27.887 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.184 52.252 29.792 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.769 50.671 30.273 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.983 51.539 30.736 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.595 53.086 30.009 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.557 53.274 32.433 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.952 53.542 31.782 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.699 52.211 33.747 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.366 51.169 32.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.745 50.079 33.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.600 50.286 32.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.923 51.295 33.867 1.00 0.00 H new ATOM 168 N LYS A 11 52.719 54.762 28.451 1.00 0.00 N ATOM 169 CA LYS A 11 52.013 55.516 27.433 1.00 0.00 C ATOM 170 C LYS A 11 50.594 54.960 27.289 1.00 0.00 C ATOM 171 O LYS A 11 50.434 53.749 27.154 1.00 0.00 O ATOM 172 CB LYS A 11 52.780 55.521 26.114 1.00 0.00 C ATOM 173 CG LYS A 11 52.213 56.578 25.171 1.00 0.00 C ATOM 174 CD LYS A 11 52.874 56.586 23.797 1.00 0.00 C ATOM 175 CE LYS A 11 52.290 57.719 22.958 1.00 0.00 C ATOM 176 NZ LYS A 11 52.844 57.737 21.595 1.00 0.00 N ATOM 0 HA LYS A 11 51.939 56.560 27.737 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.835 55.720 26.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.719 54.538 25.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.143 56.409 25.050 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.330 57.561 25.627 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.951 56.714 23.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.713 55.630 23.299 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.206 57.612 22.908 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.493 58.673 23.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.148 58.151 20.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.714 58.307 21.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.063 56.765 21.296 1.00 0.00 H new ATOM 190 N THR A 12 49.590 55.833 27.277 1.00 0.00 N ATOM 191 CA THR A 12 48.196 55.459 27.158 1.00 0.00 C ATOM 192 C THR A 12 47.603 56.020 25.863 1.00 0.00 C ATOM 193 O THR A 12 47.752 57.208 25.587 1.00 0.00 O ATOM 194 CB THR A 12 47.390 55.896 28.379 1.00 0.00 C ATOM 195 OG1 THR A 12 47.952 55.321 29.537 1.00 0.00 O ATOM 196 CG2 THR A 12 45.935 55.438 28.339 1.00 0.00 C ATOM 0 H THR A 12 49.733 56.840 27.352 1.00 0.00 H new ATOM 0 HA THR A 12 48.139 54.371 27.115 1.00 0.00 H new ATOM 0 HB THR A 12 47.420 56.986 28.384 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.438 55.601 30.323 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.420 55.782 29.236 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.447 55.854 27.458 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.897 54.350 28.294 1.00 0.00 H new ATOM 204 N ILE A 13 46.952 55.166 25.078 1.00 0.00 N ATOM 205 CA ILE A 13 46.445 55.451 23.750 1.00 0.00 C ATOM 206 C ILE A 13 44.965 55.084 23.620 1.00 0.00 C ATOM 207 O ILE A 13 44.496 54.160 24.281 1.00 0.00 O ATOM 208 CB ILE A 13 47.289 54.763 22.680 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.188 53.242 22.733 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.734 55.246 22.771 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.030 52.490 21.706 1.00 0.00 C ATOM 0 H ILE A 13 46.757 54.209 25.371 1.00 0.00 H new ATOM 0 HA ILE A 13 46.523 56.527 23.592 1.00 0.00 H new ATOM 0 HB ILE A 13 46.888 55.045 21.706 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.481 52.911 23.729 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.144 52.960 22.597 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.332 54.752 22.005 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.767 56.325 22.617 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.136 55.007 23.755 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.884 51.417 21.831 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.725 52.783 20.701 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.083 52.732 21.851 1.00 0.00 H new ATOM 223 N THR A 14 44.236 55.774 22.748 1.00 0.00 N ATOM 224 CA THR A 14 42.864 55.458 22.409 1.00 0.00 C ATOM 225 C THR A 14 42.786 54.526 21.198 1.00 0.00 C ATOM 226 O THR A 14 43.629 54.603 20.307 1.00 0.00 O ATOM 227 CB THR A 14 42.019 56.699 22.136 1.00 0.00 C ATOM 228 OG1 THR A 14 42.456 57.404 20.995 1.00 0.00 O ATOM 229 CG2 THR A 14 42.001 57.705 23.284 1.00 0.00 C ATOM 0 H THR A 14 44.597 56.587 22.249 1.00 0.00 H new ATOM 0 HA THR A 14 42.456 54.955 23.286 1.00 0.00 H new ATOM 0 HB THR A 14 41.018 56.293 21.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.886 58.189 20.857 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.379 58.557 23.011 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.595 57.231 24.177 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.017 58.046 23.485 1.00 0.00 H new ATOM 237 N LEU A 15 41.758 53.685 21.121 1.00 0.00 N ATOM 238 CA LEU A 15 41.386 52.940 19.935 1.00 0.00 C ATOM 239 C LEU A 15 39.870 52.999 19.734 1.00 0.00 C ATOM 240 O LEU A 15 39.142 52.967 20.724 1.00 0.00 O ATOM 241 CB LEU A 15 41.810 51.479 20.063 1.00 0.00 C ATOM 242 CG LEU A 15 43.287 51.209 20.339 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.459 49.727 20.655 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.189 51.528 19.151 1.00 0.00 C ATOM 0 H LEU A 15 41.143 53.501 21.914 1.00 0.00 H new ATOM 0 HA LEU A 15 41.892 53.388 19.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.227 51.026 20.865 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.538 50.965 19.141 1.00 0.00 H new ATOM 0 HG LEU A 15 43.577 51.854 21.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.510 49.517 20.855 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.865 49.471 21.532 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.126 49.133 19.804 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.225 51.314 19.413 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.897 50.916 18.298 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.090 52.582 18.892 1.00 0.00 H new ATOM 256 N GLU A 16 39.388 53.009 18.494 1.00 0.00 N ATOM 257 CA GLU A 16 37.990 52.793 18.180 1.00 0.00 C ATOM 258 C GLU A 16 37.762 51.442 17.501 1.00 0.00 C ATOM 259 O GLU A 16 38.419 51.083 16.527 1.00 0.00 O ATOM 260 CB GLU A 16 37.383 53.955 17.398 1.00 0.00 C ATOM 261 CG GLU A 16 37.149 55.174 18.284 1.00 0.00 C ATOM 262 CD GLU A 16 36.351 56.262 17.563 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.692 56.610 16.412 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.385 56.800 18.146 1.00 0.00 O ATOM 0 H GLU A 16 39.970 53.170 17.672 1.00 0.00 H new ATOM 0 HA GLU A 16 37.454 52.759 19.128 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.046 54.225 16.576 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.438 53.641 16.955 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.616 54.870 19.185 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.109 55.580 18.603 1.00 0.00 H new ATOM 271 N VAL A 17 36.846 50.671 18.083 1.00 0.00 N ATOM 272 CA VAL A 17 36.628 49.255 17.864 1.00 0.00 C ATOM 273 C VAL A 17 35.147 48.907 18.022 1.00 0.00 C ATOM 274 O VAL A 17 34.376 49.703 18.555 1.00 0.00 O ATOM 275 CB VAL A 17 37.434 48.426 18.860 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.939 48.576 18.663 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.105 48.757 20.312 1.00 0.00 C ATOM 0 H VAL A 17 36.194 51.053 18.768 1.00 0.00 H new ATOM 0 HA VAL A 17 36.952 49.024 16.849 1.00 0.00 H new ATOM 0 HB VAL A 17 37.143 47.396 18.656 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.465 47.966 19.397 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.209 48.249 17.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.220 49.621 18.792 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.709 48.136 20.973 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.321 49.808 20.504 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.049 48.564 20.499 1.00 0.00 H new ATOM 287 N GLU A 18 34.744 47.704 17.623 1.00 0.00 N ATOM 288 CA GLU A 18 33.458 47.116 17.939 1.00 0.00 C ATOM 289 C GLU A 18 33.607 45.890 18.842 1.00 0.00 C ATOM 290 O GLU A 18 34.603 45.180 18.727 1.00 0.00 O ATOM 291 CB GLU A 18 32.720 46.735 16.659 1.00 0.00 C ATOM 292 CG GLU A 18 32.611 47.825 15.595 1.00 0.00 C ATOM 293 CD GLU A 18 32.113 49.173 16.121 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.215 49.212 16.989 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.625 50.213 15.655 1.00 0.00 O ATOM 0 H GLU A 18 35.329 47.095 17.051 1.00 0.00 H new ATOM 0 HA GLU A 18 32.877 47.863 18.480 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.222 45.874 16.217 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.713 46.415 16.926 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.589 47.967 15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.937 47.483 14.810 1.00 0.00 H new ATOM 302 N PRO A 19 32.644 45.549 19.693 1.00 0.00 N ATOM 303 CA PRO A 19 32.645 44.317 20.457 1.00 0.00 C ATOM 304 C PRO A 19 32.820 43.030 19.649 1.00 0.00 C ATOM 305 O PRO A 19 33.258 42.017 20.188 1.00 0.00 O ATOM 306 CB PRO A 19 31.309 44.296 21.194 1.00 0.00 C ATOM 307 CG PRO A 19 31.011 45.777 21.409 1.00 0.00 C ATOM 308 CD PRO A 19 31.562 46.406 20.133 1.00 0.00 C ATOM 0 HA PRO A 19 33.516 44.323 21.112 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.531 43.809 20.605 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.378 43.757 22.139 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.944 45.964 21.527 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.504 46.166 22.300 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.788 46.478 19.369 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.919 47.418 20.321 1.00 0.00 H new ATOM 316 N SER A 20 32.477 43.064 18.364 1.00 0.00 N ATOM 317 CA SER A 20 32.630 42.000 17.392 1.00 0.00 C ATOM 318 C SER A 20 33.984 41.955 16.682 1.00 0.00 C ATOM 319 O SER A 20 34.201 41.066 15.860 1.00 0.00 O ATOM 320 CB SER A 20 31.493 42.064 16.377 1.00 0.00 C ATOM 321 OG SER A 20 31.355 43.358 15.836 1.00 0.00 O ATOM 0 H SER A 20 32.056 43.897 17.952 1.00 0.00 H new ATOM 0 HA SER A 20 32.587 41.072 17.962 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.680 41.351 15.574 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.560 41.767 16.856 1.00 0.00 H new ATOM 0 HG SER A 20 30.620 43.365 15.188 1.00 0.00 H new ATOM 327 N ASP A 21 34.908 42.867 16.966 1.00 0.00 N ATOM 328 CA ASP A 21 36.251 42.857 16.420 1.00 0.00 C ATOM 329 C ASP A 21 37.196 41.942 17.201 1.00 0.00 C ATOM 330 O ASP A 21 37.042 41.721 18.399 1.00 0.00 O ATOM 331 CB ASP A 21 36.824 44.267 16.317 1.00 0.00 C ATOM 332 CG ASP A 21 36.125 45.140 15.272 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.667 44.615 14.233 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.091 46.371 15.482 1.00 0.00 O ATOM 0 H ASP A 21 34.735 43.649 17.597 1.00 0.00 H new ATOM 0 HA ASP A 21 36.169 42.448 15.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.750 44.752 17.291 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.884 44.202 16.073 1.00 0.00 H new ATOM 339 N THR A 22 38.193 41.409 16.499 1.00 0.00 N ATOM 340 CA THR A 22 39.156 40.445 16.990 1.00 0.00 C ATOM 341 C THR A 22 40.428 41.089 17.546 1.00 0.00 C ATOM 342 O THR A 22 40.800 42.202 17.180 1.00 0.00 O ATOM 343 CB THR A 22 39.530 39.409 15.934 1.00 0.00 C ATOM 344 OG1 THR A 22 40.107 40.009 14.795 1.00 0.00 O ATOM 345 CG2 THR A 22 38.347 38.574 15.455 1.00 0.00 C ATOM 0 H THR A 22 38.353 41.655 15.522 1.00 0.00 H new ATOM 0 HA THR A 22 38.649 39.942 17.813 1.00 0.00 H new ATOM 0 HB THR A 22 40.245 38.758 16.436 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.336 39.316 14.141 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.686 37.859 14.706 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.915 38.037 16.300 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.593 39.228 15.017 1.00 0.00 H new ATOM 353 N ILE A 23 41.153 40.370 18.399 1.00 0.00 N ATOM 354 CA ILE A 23 42.375 40.869 18.998 1.00 0.00 C ATOM 355 C ILE A 23 43.470 41.146 17.964 1.00 0.00 C ATOM 356 O ILE A 23 44.226 42.095 18.151 1.00 0.00 O ATOM 357 CB ILE A 23 42.825 39.943 20.124 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.801 39.802 21.246 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.186 40.325 20.696 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.406 41.085 21.973 1.00 0.00 C ATOM 0 H ILE A 23 40.904 39.425 18.691 1.00 0.00 H new ATOM 0 HA ILE A 23 42.164 41.842 19.441 1.00 0.00 H new ATOM 0 HB ILE A 23 42.919 38.967 19.649 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.899 39.354 20.830 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.195 39.101 21.981 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.453 39.631 21.493 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.938 40.280 19.908 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.141 41.338 21.097 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.674 40.854 22.747 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.289 41.531 22.431 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.973 41.788 21.261 1.00 0.00 H new ATOM 372 N GLU A 24 43.556 40.435 16.843 1.00 0.00 N ATOM 373 CA GLU A 24 44.502 40.778 15.801 1.00 0.00 C ATOM 374 C GLU A 24 44.154 42.071 15.062 1.00 0.00 C ATOM 375 O GLU A 24 45.054 42.781 14.619 1.00 0.00 O ATOM 376 CB GLU A 24 44.724 39.612 14.840 1.00 0.00 C ATOM 377 CG GLU A 24 46.026 39.761 14.056 1.00 0.00 C ATOM 378 CD GLU A 24 46.645 38.419 13.662 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.153 37.761 12.719 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.659 38.015 14.271 1.00 0.00 O ATOM 0 H GLU A 24 42.979 39.619 16.639 1.00 0.00 H new ATOM 0 HA GLU A 24 45.447 40.977 16.306 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.743 38.678 15.401 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.887 39.550 14.145 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.836 40.345 13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.742 40.323 14.656 1.00 0.00 H new ATOM 387 N ASN A 25 42.880 42.440 14.978 1.00 0.00 N ATOM 388 CA ASN A 25 42.456 43.741 14.501 1.00 0.00 C ATOM 389 C ASN A 25 42.840 44.831 15.504 1.00 0.00 C ATOM 390 O ASN A 25 43.441 45.831 15.120 1.00 0.00 O ATOM 391 CB ASN A 25 40.960 43.667 14.204 1.00 0.00 C ATOM 392 CG ASN A 25 40.335 44.913 13.573 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.928 45.983 13.459 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.082 44.792 13.143 1.00 0.00 N ATOM 0 H ASN A 25 42.106 41.831 15.244 1.00 0.00 H new ATOM 0 HA ASN A 25 42.966 44.014 13.577 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.784 42.821 13.539 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.436 43.455 15.136 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.610 45.589 12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.593 43.902 13.240 1.00 0.00 H new ATOM 401 N VAL A 26 42.633 44.599 16.798 1.00 0.00 N ATOM 402 CA VAL A 26 43.092 45.483 17.850 1.00 0.00 C ATOM 403 C VAL A 26 44.607 45.692 17.794 1.00 0.00 C ATOM 404 O VAL A 26 45.056 46.836 17.822 1.00 0.00 O ATOM 405 CB VAL A 26 42.643 44.985 19.221 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.141 45.860 20.367 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.122 44.942 19.325 1.00 0.00 C ATOM 0 H VAL A 26 42.134 43.779 17.143 1.00 0.00 H new ATOM 0 HA VAL A 26 42.631 46.457 17.685 1.00 0.00 H new ATOM 0 HB VAL A 26 43.074 43.988 19.311 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.788 45.453 21.315 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.231 45.879 20.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.760 46.874 20.243 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.835 44.583 20.313 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.718 45.943 19.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.724 44.269 18.565 1.00 0.00 H new ATOM 417 N LYS A 27 45.402 44.639 17.631 1.00 0.00 N ATOM 418 CA LYS A 27 46.841 44.727 17.487 1.00 0.00 C ATOM 419 C LYS A 27 47.257 45.521 16.247 1.00 0.00 C ATOM 420 O LYS A 27 48.190 46.316 16.331 1.00 0.00 O ATOM 421 CB LYS A 27 47.469 43.336 17.496 1.00 0.00 C ATOM 422 CG LYS A 27 47.475 42.699 18.882 1.00 0.00 C ATOM 423 CD LYS A 27 48.078 41.296 18.861 1.00 0.00 C ATOM 424 CE LYS A 27 48.157 40.740 20.280 1.00 0.00 C ATOM 425 NZ LYS A 27 48.749 39.394 20.305 1.00 0.00 N ATOM 0 H LYS A 27 45.050 43.682 17.595 1.00 0.00 H new ATOM 0 HA LYS A 27 47.219 45.280 18.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.923 42.691 16.807 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.493 43.402 17.127 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.042 43.328 19.568 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.455 42.650 19.264 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.471 40.640 18.238 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.073 41.326 18.417 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.751 41.410 20.901 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.158 40.706 20.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.406 38.879 21.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.475 38.878 19.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.785 39.471 20.348 1.00 0.00 H new ATOM 439 N ALA A 28 46.560 45.370 15.125 1.00 0.00 N ATOM 440 CA ALA A 28 46.814 46.138 13.922 1.00 0.00 C ATOM 441 C ALA A 28 46.391 47.606 14.024 1.00 0.00 C ATOM 442 O ALA A 28 47.073 48.465 13.470 1.00 0.00 O ATOM 443 CB ALA A 28 46.155 45.430 12.743 1.00 0.00 C ATOM 0 H ALA A 28 45.795 44.702 15.030 1.00 0.00 H new ATOM 0 HA ALA A 28 47.893 46.181 13.771 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.338 45.997 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.574 44.429 12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.081 45.357 12.916 1.00 0.00 H new ATOM 449 N LYS A 29 45.344 47.924 14.778 1.00 0.00 N ATOM 450 CA LYS A 29 44.936 49.280 15.089 1.00 0.00 C ATOM 451 C LYS A 29 45.922 49.981 16.024 1.00 0.00 C ATOM 452 O LYS A 29 46.145 51.180 15.874 1.00 0.00 O ATOM 453 CB LYS A 29 43.521 49.282 15.661 1.00 0.00 C ATOM 454 CG LYS A 29 42.438 49.098 14.602 1.00 0.00 C ATOM 455 CD LYS A 29 41.079 48.829 15.240 1.00 0.00 C ATOM 456 CE LYS A 29 39.949 48.830 14.215 1.00 0.00 C ATOM 457 NZ LYS A 29 39.369 50.168 14.026 1.00 0.00 N ATOM 0 H LYS A 29 44.740 47.219 15.201 1.00 0.00 H new ATOM 0 HA LYS A 29 44.937 49.852 14.161 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.435 48.485 16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.350 50.223 16.185 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.380 49.991 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.705 48.269 13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.103 47.866 15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.880 49.586 15.998 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.326 48.462 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.169 48.140 14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.573 50.110 13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.030 50.532 14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.093 50.810 13.645 1.00 0.00 H new ATOM 471 N ILE A 30 46.565 49.250 16.931 1.00 0.00 N ATOM 472 CA ILE A 30 47.688 49.736 17.708 1.00 0.00 C ATOM 473 C ILE A 30 48.885 50.002 16.794 1.00 0.00 C ATOM 474 O ILE A 30 49.493 51.068 16.870 1.00 0.00 O ATOM 475 CB ILE A 30 48.033 48.771 18.840 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.905 48.715 19.866 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.344 49.138 19.527 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.975 47.523 20.815 1.00 0.00 C ATOM 0 H ILE A 30 46.311 48.286 17.146 1.00 0.00 H new ATOM 0 HA ILE A 30 47.410 50.681 18.175 1.00 0.00 H new ATOM 0 HB ILE A 30 48.157 47.786 18.390 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.919 49.633 20.454 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.951 48.688 19.339 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.549 48.424 20.325 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.156 49.112 18.800 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.266 50.140 19.948 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.136 47.562 21.510 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.928 46.598 20.241 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.911 47.557 21.373 1.00 0.00 H new ATOM 490 N GLN A 31 49.209 49.071 15.902 1.00 0.00 N ATOM 491 CA GLN A 31 50.276 49.214 14.932 1.00 0.00 C ATOM 492 C GLN A 31 50.086 50.439 14.034 1.00 0.00 C ATOM 493 O GLN A 31 51.065 51.126 13.750 1.00 0.00 O ATOM 494 CB GLN A 31 50.383 47.927 14.120 1.00 0.00 C ATOM 495 CG GLN A 31 51.643 47.844 13.262 1.00 0.00 C ATOM 496 CD GLN A 31 51.744 46.513 12.514 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.758 45.843 12.215 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.954 46.061 12.193 1.00 0.00 N ATOM 0 H GLN A 31 48.722 48.177 15.837 1.00 0.00 H new ATOM 0 HA GLN A 31 51.212 49.382 15.464 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.361 47.076 14.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.509 47.842 13.475 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.647 48.664 12.544 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.521 47.971 13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.782 46.605 12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.053 45.170 11.706 1.00 0.00 H new ATOM 507 N ASP A 32 48.863 50.766 13.630 1.00 0.00 N ATOM 508 CA ASP A 32 48.568 51.929 12.817 1.00 0.00 C ATOM 509 C ASP A 32 49.030 53.251 13.433 1.00 0.00 C ATOM 510 O ASP A 32 49.590 54.074 12.711 1.00 0.00 O ATOM 511 CB ASP A 32 47.073 51.971 12.514 1.00 0.00 C ATOM 512 CG ASP A 32 46.700 53.126 11.584 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.850 52.975 10.353 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.207 54.166 12.074 1.00 0.00 O ATOM 0 H ASP A 32 48.037 50.216 13.866 1.00 0.00 H new ATOM 0 HA ASP A 32 49.139 51.822 11.895 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.771 51.028 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.518 52.066 13.447 1.00 0.00 H new ATOM 519 N LYS A 33 48.832 53.464 14.731 1.00 0.00 N ATOM 520 CA LYS A 33 49.201 54.696 15.398 1.00 0.00 C ATOM 521 C LYS A 33 50.532 54.688 16.152 1.00 0.00 C ATOM 522 O LYS A 33 51.157 55.741 16.249 1.00 0.00 O ATOM 523 CB LYS A 33 48.052 55.235 16.247 1.00 0.00 C ATOM 524 CG LYS A 33 47.453 54.278 17.274 1.00 0.00 C ATOM 525 CD LYS A 33 46.568 54.993 18.291 1.00 0.00 C ATOM 526 CE LYS A 33 45.496 55.862 17.641 1.00 0.00 C ATOM 527 NZ LYS A 33 44.671 56.545 18.651 1.00 0.00 N ATOM 0 H LYS A 33 48.406 52.775 15.351 1.00 0.00 H new ATOM 0 HA LYS A 33 49.391 55.393 14.582 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.404 56.122 16.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.255 55.557 15.577 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.867 53.517 16.759 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.258 53.761 17.797 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.089 54.253 18.931 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.192 55.615 18.934 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.968 56.602 16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.860 55.244 17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.794 56.887 18.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.437 55.880 19.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.198 57.351 19.043 1.00 0.00 H new ATOM 541 N GLU A 34 50.988 53.549 16.666 1.00 0.00 N ATOM 542 CA GLU A 34 52.198 53.443 17.456 1.00 0.00 C ATOM 543 C GLU A 34 53.311 52.621 16.804 1.00 0.00 C ATOM 544 O GLU A 34 54.449 52.671 17.266 1.00 0.00 O ATOM 545 CB GLU A 34 51.872 52.885 18.838 1.00 0.00 C ATOM 546 CG GLU A 34 50.976 53.759 19.710 1.00 0.00 C ATOM 547 CD GLU A 34 51.576 55.126 20.046 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.759 55.201 20.444 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.880 56.159 19.942 1.00 0.00 O ATOM 0 H GLU A 34 50.511 52.657 16.538 1.00 0.00 H new ATOM 0 HA GLU A 34 52.590 54.457 17.536 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.392 51.915 18.714 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.808 52.712 19.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.024 53.907 19.201 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.762 53.230 20.638 1.00 0.00 H new ATOM 556 N GLY A 35 53.042 51.882 15.731 1.00 0.00 N ATOM 557 CA GLY A 35 54.047 51.159 14.979 1.00 0.00 C ATOM 558 C GLY A 35 54.585 49.880 15.625 1.00 0.00 C ATOM 559 O GLY A 35 55.599 49.356 15.169 1.00 0.00 O ATOM 0 H GLY A 35 52.099 51.771 15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.628 50.901 14.007 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.887 51.830 14.796 1.00 0.00 H new ATOM 563 N ILE A 36 53.942 49.368 16.670 1.00 0.00 N ATOM 564 CA ILE A 36 54.373 48.199 17.410 1.00 0.00 C ATOM 565 C ILE A 36 54.008 46.934 16.630 1.00 0.00 C ATOM 566 O ILE A 36 52.826 46.751 16.348 1.00 0.00 O ATOM 567 CB ILE A 36 53.782 48.166 18.816 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.835 49.515 19.526 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.509 47.100 19.632 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.234 49.546 20.928 1.00 0.00 C ATOM 0 H ILE A 36 53.079 49.773 17.033 1.00 0.00 H new ATOM 0 HA ILE A 36 55.456 48.248 17.526 1.00 0.00 H new ATOM 0 HB ILE A 36 52.724 47.921 18.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.876 49.831 19.589 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.315 50.250 18.911 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.095 47.068 20.640 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.382 46.128 19.156 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.570 47.343 19.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.324 50.551 21.340 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.181 49.267 20.879 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.766 48.842 21.568 1.00 0.00 H new ATOM 582 N PRO A 37 54.931 46.036 16.297 1.00 0.00 N ATOM 583 CA PRO A 37 54.629 44.879 15.479 1.00 0.00 C ATOM 584 C PRO A 37 53.836 43.808 16.231 1.00 0.00 C ATOM 585 O PRO A 37 54.281 43.387 17.295 1.00 0.00 O ATOM 586 CB PRO A 37 55.976 44.356 14.986 1.00 0.00 C ATOM 587 CG PRO A 37 56.966 44.827 16.046 1.00 0.00 C ATOM 588 CD PRO A 37 56.358 46.140 16.530 1.00 0.00 C ATOM 0 HA PRO A 37 53.980 45.155 14.648 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.974 43.270 14.897 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.224 44.756 14.003 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.062 44.105 16.857 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.963 44.974 15.630 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.569 46.300 17.587 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.780 46.987 15.989 1.00 0.00 H new ATOM 596 N PRO A 38 52.710 43.317 15.719 1.00 0.00 N ATOM 597 CA PRO A 38 51.891 42.307 16.358 1.00 0.00 C ATOM 598 C PRO A 38 52.600 41.026 16.803 1.00 0.00 C ATOM 599 O PRO A 38 52.221 40.466 17.829 1.00 0.00 O ATOM 600 CB PRO A 38 50.771 41.990 15.372 1.00 0.00 C ATOM 601 CG PRO A 38 50.563 43.326 14.665 1.00 0.00 C ATOM 602 CD PRO A 38 51.986 43.873 14.593 1.00 0.00 C ATOM 0 HA PRO A 38 51.541 42.720 17.304 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.056 41.202 14.675 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.867 41.655 15.880 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.124 43.200 13.675 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.900 43.985 15.226 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.460 43.592 13.653 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.983 44.962 14.636 1.00 0.00 H new ATOM 610 N ASP A 39 53.661 40.589 16.130 1.00 0.00 N ATOM 611 CA ASP A 39 54.461 39.454 16.545 1.00 0.00 C ATOM 612 C ASP A 39 55.153 39.674 17.893 1.00 0.00 C ATOM 613 O ASP A 39 55.384 38.719 18.630 1.00 0.00 O ATOM 614 CB ASP A 39 55.459 39.142 15.434 1.00 0.00 C ATOM 615 CG ASP A 39 56.430 38.003 15.757 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.652 38.262 15.789 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.008 36.842 15.940 1.00 0.00 O ATOM 0 H ASP A 39 53.989 41.025 15.268 1.00 0.00 H new ATOM 0 HA ASP A 39 53.805 38.598 16.704 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.908 38.888 14.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.034 40.042 15.215 1.00 0.00 H new ATOM 622 N GLN A 40 55.434 40.918 18.269 1.00 0.00 N ATOM 623 CA GLN A 40 55.966 41.282 19.567 1.00 0.00 C ATOM 624 C GLN A 40 54.917 41.791 20.558 1.00 0.00 C ATOM 625 O GLN A 40 55.222 41.898 21.743 1.00 0.00 O ATOM 626 CB GLN A 40 57.117 42.272 19.426 1.00 0.00 C ATOM 627 CG GLN A 40 58.336 41.723 18.689 1.00 0.00 C ATOM 628 CD GLN A 40 59.550 42.646 18.823 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.970 43.324 17.889 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.167 42.714 19.999 1.00 0.00 N ATOM 0 H GLN A 40 55.291 41.721 17.656 1.00 0.00 H new ATOM 0 HA GLN A 40 56.344 40.355 19.999 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.757 43.156 18.899 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.425 42.596 20.420 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.584 40.737 19.083 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.094 41.593 17.634 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.830 42.157 20.784 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.977 43.323 20.116 1.00 0.00 H new ATOM 639 N GLN A 41 53.690 42.081 20.133 1.00 0.00 N ATOM 640 CA GLN A 41 52.627 42.550 20.998 1.00 0.00 C ATOM 641 C GLN A 41 52.012 41.426 21.835 1.00 0.00 C ATOM 642 O GLN A 41 51.392 40.514 21.293 1.00 0.00 O ATOM 643 CB GLN A 41 51.511 43.238 20.217 1.00 0.00 C ATOM 644 CG GLN A 41 51.849 44.604 19.628 1.00 0.00 C ATOM 645 CD GLN A 41 50.614 45.278 19.026 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.566 45.385 19.660 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.645 45.756 17.785 1.00 0.00 N ATOM 0 H GLN A 41 53.408 41.993 19.157 1.00 0.00 H new ATOM 0 HA GLN A 41 53.101 43.271 21.665 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.205 42.580 19.404 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.650 43.352 20.876 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.270 45.242 20.405 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.614 44.491 18.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.499 45.683 17.232 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.815 46.195 17.387 1.00 0.00 H new ATOM 656 N ARG A 42 52.092 41.544 23.158 1.00 0.00 N ATOM 657 CA ARG A 42 51.413 40.710 24.129 1.00 0.00 C ATOM 658 C ARG A 42 50.347 41.539 24.847 1.00 0.00 C ATOM 659 O ARG A 42 50.678 42.537 25.484 1.00 0.00 O ATOM 660 CB ARG A 42 52.481 40.165 25.073 1.00 0.00 C ATOM 661 CG ARG A 42 52.000 39.170 26.125 1.00 0.00 C ATOM 662 CD ARG A 42 53.184 38.883 27.044 1.00 0.00 C ATOM 663 NE ARG A 42 52.868 37.919 28.097 1.00 0.00 N ATOM 664 CZ ARG A 42 53.706 37.572 29.084 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.942 38.079 29.185 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.343 36.712 30.044 1.00 0.00 N ATOM 0 H ARG A 42 52.664 42.264 23.598 1.00 0.00 H new ATOM 0 HA ARG A 42 50.893 39.871 23.668 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.255 39.685 24.475 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.949 41.006 25.584 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.164 39.581 26.691 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.646 38.253 25.655 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.015 38.504 26.449 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.517 39.815 27.500 1.00 0.00 H new ATOM 0 HE ARG A 42 51.947 37.481 28.079 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.274 38.754 28.496 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.551 37.790 29.951 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.408 36.303 30.036 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.001 36.465 30.783 1.00 0.00 H new ATOM 680 N LEU A 43 49.080 41.152 24.727 1.00 0.00 N ATOM 681 CA LEU A 43 47.947 41.921 25.201 1.00 0.00 C ATOM 682 C LEU A 43 47.287 41.227 26.394 1.00 0.00 C ATOM 683 O LEU A 43 46.914 40.059 26.296 1.00 0.00 O ATOM 684 CB LEU A 43 46.986 42.142 24.036 1.00 0.00 C ATOM 685 CG LEU A 43 46.177 43.436 24.084 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.227 43.481 22.890 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.336 43.613 25.345 1.00 0.00 C ATOM 0 H LEU A 43 48.813 40.272 24.286 1.00 0.00 H new ATOM 0 HA LEU A 43 48.271 42.897 25.562 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.558 42.127 23.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.292 41.302 23.996 1.00 0.00 H new ATOM 0 HG LEU A 43 46.914 44.239 24.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 44.647 44.404 22.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.803 43.445 21.965 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.551 42.627 22.930 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.796 44.558 25.292 1.00 0.00 H new ATOM 0 HD22 LEU A 43 44.623 42.792 25.425 1.00 0.00 H new ATOM 0 HD23 LEU A 43 45.987 43.615 26.219 1.00 0.00 H new ATOM 699 N ILE A 44 47.148 41.932 27.513 1.00 0.00 N ATOM 700 CA ILE A 44 46.621 41.441 28.770 1.00 0.00 C ATOM 701 C ILE A 44 45.504 42.361 29.268 1.00 0.00 C ATOM 702 O ILE A 44 45.588 43.581 29.145 1.00 0.00 O ATOM 703 CB ILE A 44 47.745 41.269 29.787 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.821 40.314 29.278 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.223 40.786 31.137 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.044 40.152 30.177 1.00 0.00 C ATOM 0 H ILE A 44 47.417 42.915 27.563 1.00 0.00 H new ATOM 0 HA ILE A 44 46.179 40.456 28.622 1.00 0.00 H new ATOM 0 HB ILE A 44 48.189 42.255 29.924 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.369 39.333 29.131 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.155 40.661 28.300 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.056 40.677 31.831 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.513 41.512 31.533 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.726 39.824 31.012 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.742 39.452 29.718 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.531 41.118 30.306 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.733 39.770 31.149 1.00 0.00 H new ATOM 718 N PHE A 45 44.450 41.800 29.855 1.00 0.00 N ATOM 719 CA PHE A 45 43.430 42.523 30.586 1.00 0.00 C ATOM 720 C PHE A 45 42.973 41.713 31.802 1.00 0.00 C ATOM 721 O PHE A 45 42.801 40.502 31.687 1.00 0.00 O ATOM 722 CB PHE A 45 42.255 42.819 29.658 1.00 0.00 C ATOM 723 CG PHE A 45 41.088 43.507 30.323 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.242 44.790 30.860 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.845 42.866 30.409 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.160 45.435 31.471 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.763 43.506 31.026 1.00 0.00 C ATOM 728 CZ PHE A 45 38.918 44.792 31.555 1.00 0.00 C ATOM 0 H PHE A 45 44.283 40.794 29.830 1.00 0.00 H new ATOM 0 HA PHE A 45 43.841 43.466 30.946 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.606 43.442 28.835 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.908 41.882 29.223 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.200 45.285 30.803 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.721 41.875 29.998 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.283 46.428 31.878 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.808 43.006 31.094 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.082 45.288 32.027 1.00 0.00 H new ATOM 738 N ALA A 46 42.790 42.352 32.953 1.00 0.00 N ATOM 739 CA ALA A 46 42.356 41.723 34.185 1.00 0.00 C ATOM 740 C ALA A 46 43.080 40.414 34.504 1.00 0.00 C ATOM 741 O ALA A 46 42.450 39.385 34.739 1.00 0.00 O ATOM 742 CB ALA A 46 40.832 41.640 34.183 1.00 0.00 C ATOM 0 H ALA A 46 42.946 43.355 33.052 1.00 0.00 H new ATOM 0 HA ALA A 46 42.652 42.348 35.028 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.492 41.168 35.105 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.413 42.644 34.113 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.501 41.048 33.329 1.00 0.00 H new ATOM 748 N GLY A 47 44.408 40.412 34.429 1.00 0.00 N ATOM 749 CA GLY A 47 45.223 39.247 34.704 1.00 0.00 C ATOM 750 C GLY A 47 45.068 38.076 33.731 1.00 0.00 C ATOM 751 O GLY A 47 45.379 36.948 34.106 1.00 0.00 O ATOM 0 H GLY A 47 44.951 41.236 34.171 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.269 39.553 34.710 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.989 38.893 35.708 1.00 0.00 H new ATOM 755 N LYS A 48 44.569 38.296 32.517 1.00 0.00 N ATOM 756 CA LYS A 48 44.327 37.305 31.488 1.00 0.00 C ATOM 757 C LYS A 48 44.888 37.777 30.146 1.00 0.00 C ATOM 758 O LYS A 48 44.656 38.917 29.749 1.00 0.00 O ATOM 759 CB LYS A 48 42.827 37.050 31.372 1.00 0.00 C ATOM 760 CG LYS A 48 42.257 36.329 32.591 1.00 0.00 C ATOM 761 CD LYS A 48 40.740 36.169 32.533 1.00 0.00 C ATOM 762 CE LYS A 48 39.950 37.461 32.721 1.00 0.00 C ATOM 763 NZ LYS A 48 40.135 38.022 34.068 1.00 0.00 N ATOM 0 H LYS A 48 44.308 39.234 32.213 1.00 0.00 H new ATOM 0 HA LYS A 48 44.831 36.378 31.761 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.310 38.001 31.242 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.631 36.456 30.479 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.718 35.345 32.673 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.525 36.882 33.491 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.472 35.733 31.571 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.435 35.458 33.301 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.265 38.192 31.976 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.891 37.268 32.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.375 38.703 34.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.107 37.255 34.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.054 38.505 34.120 1.00 0.00 H new ATOM 777 N GLN A 49 45.614 36.915 29.439 1.00 0.00 N ATOM 778 CA GLN A 49 46.167 37.219 28.134 1.00 0.00 C ATOM 779 C GLN A 49 45.131 36.993 27.031 1.00 0.00 C ATOM 780 O GLN A 49 44.329 36.067 27.131 1.00 0.00 O ATOM 781 CB GLN A 49 47.454 36.425 27.937 1.00 0.00 C ATOM 782 CG GLN A 49 48.340 36.986 26.828 1.00 0.00 C ATOM 783 CD GLN A 49 49.723 36.332 26.844 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.462 36.439 27.822 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.136 35.641 25.786 1.00 0.00 N ATOM 0 H GLN A 49 45.834 35.974 29.766 1.00 0.00 H new ATOM 0 HA GLN A 49 46.425 38.276 28.074 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.015 36.415 28.872 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.203 35.390 27.705 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.867 36.819 25.861 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.443 38.064 26.951 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.531 35.547 24.971 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.058 35.205 25.790 1.00 0.00 H new ATOM 794 N LEU A 50 45.107 37.843 26.007 1.00 0.00 N ATOM 795 CA LEU A 50 44.067 37.865 24.999 1.00 0.00 C ATOM 796 C LEU A 50 44.565 37.304 23.665 1.00 0.00 C ATOM 797 O LEU A 50 45.573 37.767 23.134 1.00 0.00 O ATOM 798 CB LEU A 50 43.491 39.270 24.847 1.00 0.00 C ATOM 799 CG LEU A 50 43.124 40.042 26.111 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.335 41.289 25.723 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.271 39.263 27.107 1.00 0.00 C ATOM 0 H LEU A 50 45.829 38.548 25.858 1.00 0.00 H new ATOM 0 HA LEU A 50 43.260 37.212 25.333 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.214 39.867 24.291 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.595 39.197 24.230 1.00 0.00 H new ATOM 0 HG LEU A 50 44.072 40.268 26.598 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.069 41.846 26.622 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.944 41.918 25.074 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.427 40.996 25.196 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.059 39.890 27.973 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.334 38.971 26.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.809 38.371 27.428 1.00 0.00 H new ATOM 813 N GLU A 51 43.859 36.319 23.118 1.00 0.00 N ATOM 814 CA GLU A 51 44.237 35.603 21.917 1.00 0.00 C ATOM 815 C GLU A 51 43.718 36.245 20.629 1.00 0.00 C ATOM 816 O GLU A 51 42.566 36.665 20.540 1.00 0.00 O ATOM 817 CB GLU A 51 43.816 34.140 22.020 1.00 0.00 C ATOM 818 CG GLU A 51 44.154 33.362 20.752 1.00 0.00 C ATOM 819 CD GLU A 51 43.965 31.851 20.905 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.812 31.403 21.086 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.964 31.109 20.790 1.00 0.00 O ATOM 0 H GLU A 51 42.979 35.991 23.517 1.00 0.00 H new ATOM 0 HA GLU A 51 45.323 35.659 21.849 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.313 33.678 22.873 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.744 34.083 22.206 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.526 33.720 19.936 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.188 33.566 20.473 1.00 0.00 H new ATOM 828 N ASP A 52 44.545 36.223 19.587 1.00 0.00 N ATOM 829 CA ASP A 52 44.402 36.921 18.326 1.00 0.00 C ATOM 830 C ASP A 52 43.108 36.653 17.555 1.00 0.00 C ATOM 831 O ASP A 52 42.635 37.540 16.847 1.00 0.00 O ATOM 832 CB ASP A 52 45.613 36.563 17.469 1.00 0.00 C ATOM 833 CG ASP A 52 46.933 36.714 18.228 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.452 35.673 18.687 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.424 37.848 18.412 1.00 0.00 O ATOM 0 H ASP A 52 45.401 35.669 19.612 1.00 0.00 H new ATOM 0 HA ASP A 52 44.347 37.984 18.558 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.515 35.536 17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.630 37.201 16.586 1.00 0.00 H new ATOM 840 N GLY A 53 42.528 35.463 17.678 1.00 0.00 N ATOM 841 CA GLY A 53 41.311 35.043 17.014 1.00 0.00 C ATOM 842 C GLY A 53 40.015 35.200 17.814 1.00 0.00 C ATOM 843 O GLY A 53 38.939 35.007 17.253 1.00 0.00 O ATOM 0 H GLY A 53 42.918 34.733 18.275 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.213 35.610 16.088 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.417 33.994 16.736 1.00 0.00 H new ATOM 847 N ARG A 54 40.098 35.560 19.090 1.00 0.00 N ATOM 848 CA ARG A 54 38.961 35.858 19.938 1.00 0.00 C ATOM 849 C ARG A 54 38.518 37.309 19.738 1.00 0.00 C ATOM 850 O ARG A 54 39.309 38.133 19.284 1.00 0.00 O ATOM 851 CB ARG A 54 39.331 35.580 21.391 1.00 0.00 C ATOM 852 CG ARG A 54 39.562 34.110 21.731 1.00 0.00 C ATOM 853 CD ARG A 54 38.337 33.413 22.316 1.00 0.00 C ATOM 854 NE ARG A 54 37.248 33.236 21.357 1.00 0.00 N ATOM 855 CZ ARG A 54 36.952 32.119 20.679 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.767 31.056 20.639 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.792 32.005 20.019 1.00 0.00 N ATOM 0 H ARG A 54 40.991 35.654 19.574 1.00 0.00 H new ATOM 0 HA ARG A 54 38.120 35.219 19.668 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.235 36.139 21.633 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.537 35.965 22.032 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.872 33.583 20.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.385 34.036 22.442 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.634 32.437 22.699 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.972 33.991 23.165 1.00 0.00 H new ATOM 0 HE ARG A 54 36.652 34.046 21.186 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.656 31.076 21.139 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.498 30.227 20.109 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.122 32.774 20.029 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.579 31.149 19.507 1.00 0.00 H new ATOM 871 N THR A 55 37.274 37.633 20.081 1.00 0.00 N ATOM 872 CA THR A 55 36.751 38.983 20.020 1.00 0.00 C ATOM 873 C THR A 55 36.744 39.693 21.376 1.00 0.00 C ATOM 874 O THR A 55 36.815 39.064 22.429 1.00 0.00 O ATOM 875 CB THR A 55 35.374 39.070 19.369 1.00 0.00 C ATOM 876 OG1 THR A 55 34.419 38.335 20.102 1.00 0.00 O ATOM 877 CG2 THR A 55 35.384 38.571 17.927 1.00 0.00 C ATOM 0 H THR A 55 36.595 36.949 20.414 1.00 0.00 H new ATOM 0 HA THR A 55 37.453 39.511 19.375 1.00 0.00 H new ATOM 0 HB THR A 55 35.103 40.126 19.367 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.754 38.948 20.479 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.382 38.653 17.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.075 39.174 17.338 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.703 37.529 17.905 1.00 0.00 H new ATOM 885 N LEU A 56 36.627 41.017 21.362 1.00 0.00 N ATOM 886 CA LEU A 56 36.492 41.818 22.563 1.00 0.00 C ATOM 887 C LEU A 56 35.323 41.366 23.441 1.00 0.00 C ATOM 888 O LEU A 56 35.468 41.270 24.658 1.00 0.00 O ATOM 889 CB LEU A 56 36.367 43.285 22.161 1.00 0.00 C ATOM 890 CG LEU A 56 37.641 43.900 21.587 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.358 45.334 21.147 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.778 43.959 22.602 1.00 0.00 C ATOM 0 H LEU A 56 36.624 41.566 20.503 1.00 0.00 H new ATOM 0 HA LEU A 56 37.383 41.684 23.176 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.570 43.379 21.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.063 43.862 23.034 1.00 0.00 H new ATOM 0 HG LEU A 56 37.944 43.264 20.755 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.267 45.775 20.737 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.579 45.334 20.385 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.026 45.919 22.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.657 44.405 22.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.472 44.563 23.456 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.018 42.950 22.939 1.00 0.00 H new ATOM 904 N SER A 57 34.189 41.014 22.842 1.00 0.00 N ATOM 905 CA SER A 57 33.044 40.465 23.539 1.00 0.00 C ATOM 906 C SER A 57 33.255 39.071 24.132 1.00 0.00 C ATOM 907 O SER A 57 32.661 38.788 25.171 1.00 0.00 O ATOM 908 CB SER A 57 31.802 40.477 22.653 1.00 0.00 C ATOM 909 OG SER A 57 32.063 39.921 21.384 1.00 0.00 O ATOM 0 H SER A 57 34.044 41.107 21.837 1.00 0.00 H new ATOM 0 HA SER A 57 32.899 41.128 24.392 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.003 39.917 23.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.448 41.501 22.536 1.00 0.00 H new ATOM 0 HG SER A 57 32.283 40.637 20.752 1.00 0.00 H new ATOM 915 N ASP A 58 34.132 38.232 23.587 1.00 0.00 N ATOM 916 CA ASP A 58 34.510 36.981 24.212 1.00 0.00 C ATOM 917 C ASP A 58 35.193 37.185 25.565 1.00 0.00 C ATOM 918 O ASP A 58 35.103 36.329 26.443 1.00 0.00 O ATOM 919 CB ASP A 58 35.431 36.156 23.319 1.00 0.00 C ATOM 920 CG ASP A 58 34.797 35.668 22.016 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.571 35.422 21.994 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.535 35.421 21.037 1.00 0.00 O ATOM 0 H ASP A 58 34.598 38.407 22.697 1.00 0.00 H new ATOM 0 HA ASP A 58 33.576 36.441 24.368 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.309 36.754 23.077 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.780 35.291 23.883 1.00 0.00 H new ATOM 927 N TYR A 59 35.833 38.334 25.760 1.00 0.00 N ATOM 928 CA TYR A 59 36.438 38.765 27.004 1.00 0.00 C ATOM 929 C TYR A 59 35.594 39.790 27.764 1.00 0.00 C ATOM 930 O TYR A 59 36.086 40.393 28.715 1.00 0.00 O ATOM 931 CB TYR A 59 37.859 39.243 26.721 1.00 0.00 C ATOM 932 CG TYR A 59 38.778 38.190 26.152 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.170 37.107 26.949 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.275 38.312 24.849 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.064 36.149 26.455 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.186 37.372 24.353 1.00 0.00 C ATOM 937 CZ TYR A 59 40.584 36.283 25.152 1.00 0.00 C ATOM 938 OH TYR A 59 41.486 35.379 24.673 1.00 0.00 O ATOM 0 H TYR A 59 35.946 39.020 25.014 1.00 0.00 H new ATOM 0 HA TYR A 59 36.485 37.914 27.683 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.814 40.081 26.025 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.292 39.621 27.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.780 37.010 27.951 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.955 39.133 24.225 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.354 35.310 27.070 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.584 37.482 23.355 1.00 0.00 H new ATOM 0 HH TYR A 59 41.040 34.519 24.523 1.00 0.00 H new ATOM 948 N ASN A 60 34.333 39.989 27.392 1.00 0.00 N ATOM 949 CA ASN A 60 33.413 40.922 28.011 1.00 0.00 C ATOM 950 C ASN A 60 33.866 42.383 27.999 1.00 0.00 C ATOM 951 O ASN A 60 33.391 43.186 28.799 1.00 0.00 O ATOM 952 CB ASN A 60 32.988 40.381 29.373 1.00 0.00 C ATOM 953 CG ASN A 60 31.771 41.094 29.968 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.855 41.781 30.984 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.608 40.952 29.339 1.00 0.00 N ATOM 0 H ASN A 60 33.911 39.479 26.616 1.00 0.00 H new ATOM 0 HA ASN A 60 32.522 40.981 27.386 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.764 39.318 29.278 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.825 40.470 30.066 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.774 41.416 29.699 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.550 40.380 28.497 1.00 0.00 H new ATOM 962 N ILE A 61 34.764 42.758 27.092 1.00 0.00 N ATOM 963 CA ILE A 61 35.340 44.086 27.026 1.00 0.00 C ATOM 964 C ILE A 61 34.313 45.079 26.482 1.00 0.00 C ATOM 965 O ILE A 61 33.728 44.897 25.416 1.00 0.00 O ATOM 966 CB ILE A 61 36.665 44.099 26.269 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.711 43.255 26.990 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.177 45.526 26.094 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.947 42.924 26.159 1.00 0.00 C ATOM 0 H ILE A 61 35.115 42.129 26.370 1.00 0.00 H new ATOM 0 HA ILE A 61 35.592 44.410 28.036 1.00 0.00 H new ATOM 0 HB ILE A 61 36.488 43.668 25.283 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.026 43.783 27.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.247 42.323 27.313 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.122 45.509 25.552 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.447 46.108 25.532 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.328 45.981 27.073 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.634 42.322 26.753 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.650 42.366 25.271 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.441 43.848 25.858 1.00 0.00 H new ATOM 981 N GLN A 62 34.102 46.138 27.257 1.00 0.00 N ATOM 982 CA GLN A 62 33.149 47.209 27.040 1.00 0.00 C ATOM 983 C GLN A 62 33.849 48.564 26.915 1.00 0.00 C ATOM 984 O GLN A 62 35.047 48.668 27.167 1.00 0.00 O ATOM 985 CB GLN A 62 32.165 47.163 28.206 1.00 0.00 C ATOM 986 CG GLN A 62 31.192 45.995 28.073 1.00 0.00 C ATOM 987 CD GLN A 62 30.573 45.623 29.421 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.666 46.281 29.927 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.095 44.590 30.077 1.00 0.00 N ATOM 0 H GLN A 62 34.635 46.275 28.116 1.00 0.00 H new ATOM 0 HA GLN A 62 32.617 47.077 26.098 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.714 47.075 29.143 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.608 48.099 28.250 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.402 46.257 27.369 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.713 45.131 27.660 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.847 44.046 29.655 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.743 44.342 31.002 1.00 0.00 H new ATOM 998 N LYS A 63 33.117 49.606 26.536 1.00 0.00 N ATOM 999 CA LYS A 63 33.642 50.939 26.318 1.00 0.00 C ATOM 1000 C LYS A 63 34.450 51.472 27.503 1.00 0.00 C ATOM 1001 O LYS A 63 34.146 51.171 28.655 1.00 0.00 O ATOM 1002 CB LYS A 63 32.539 51.913 25.917 1.00 0.00 C ATOM 1003 CG LYS A 63 31.585 52.287 27.049 1.00 0.00 C ATOM 1004 CD LYS A 63 30.576 53.360 26.652 1.00 0.00 C ATOM 1005 CE LYS A 63 29.715 53.667 27.873 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.743 54.743 27.624 1.00 0.00 N ATOM 0 H LYS A 63 32.113 49.539 26.368 1.00 0.00 H new ATOM 0 HA LYS A 63 34.342 50.855 25.487 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.998 52.823 25.529 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.963 51.475 25.102 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.049 51.395 27.374 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.164 52.639 27.903 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.089 54.259 26.311 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.956 53.014 25.825 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.183 52.764 28.174 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.359 53.950 28.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.184 54.912 28.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.248 55.614 27.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.109 54.465 26.848 1.00 0.00 H new ATOM 1020 N GLU A 64 35.470 52.270 27.201 1.00 0.00 N ATOM 1021 CA GLU A 64 36.312 52.984 28.139 1.00 0.00 C ATOM 1022 C GLU A 64 37.023 52.105 29.169 1.00 0.00 C ATOM 1023 O GLU A 64 37.454 52.579 30.218 1.00 0.00 O ATOM 1024 CB GLU A 64 35.550 54.161 28.742 1.00 0.00 C ATOM 1025 CG GLU A 64 35.151 55.190 27.688 1.00 0.00 C ATOM 1026 CD GLU A 64 34.221 56.239 28.299 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.690 57.156 29.009 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.991 56.144 28.100 1.00 0.00 O ATOM 0 H GLU A 64 35.742 52.442 26.233 1.00 0.00 H new ATOM 0 HA GLU A 64 37.148 53.387 27.567 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.656 53.793 29.245 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.168 54.641 29.501 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.041 55.673 27.286 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.654 54.694 26.855 1.00 0.00 H new ATOM 1035 N SER A 65 37.184 50.822 28.859 1.00 0.00 N ATOM 1036 CA SER A 65 38.095 49.919 29.532 1.00 0.00 C ATOM 1037 C SER A 65 39.541 50.215 29.127 1.00 0.00 C ATOM 1038 O SER A 65 39.781 50.617 27.991 1.00 0.00 O ATOM 1039 CB SER A 65 37.788 48.462 29.200 1.00 0.00 C ATOM 1040 OG SER A 65 36.422 48.174 29.400 1.00 0.00 O ATOM 0 H SER A 65 36.663 50.373 28.106 1.00 0.00 H new ATOM 0 HA SER A 65 37.965 50.075 30.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.059 48.257 28.164 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.396 47.807 29.824 1.00 0.00 H new ATOM 0 HG SER A 65 35.892 48.589 28.688 1.00 0.00 H new ATOM 1046 N THR A 66 40.494 49.959 30.020 1.00 0.00 N ATOM 1047 CA THR A 66 41.916 50.077 29.768 1.00 0.00 C ATOM 1048 C THR A 66 42.557 48.688 29.735 1.00 0.00 C ATOM 1049 O THR A 66 42.558 47.981 30.740 1.00 0.00 O ATOM 1050 CB THR A 66 42.604 50.960 30.805 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.975 52.220 30.871 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.065 51.231 30.456 1.00 0.00 C ATOM 0 H THR A 66 40.283 49.653 30.970 1.00 0.00 H new ATOM 0 HA THR A 66 42.046 50.556 28.798 1.00 0.00 H new ATOM 0 HB THR A 66 42.538 50.420 31.749 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.425 52.776 31.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.511 51.863 31.224 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.608 50.287 30.403 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.121 51.736 29.492 1.00 0.00 H new ATOM 1060 N LEU A 67 43.125 48.315 28.591 1.00 0.00 N ATOM 1061 CA LEU A 67 43.873 47.088 28.410 1.00 0.00 C ATOM 1062 C LEU A 67 45.372 47.349 28.573 1.00 0.00 C ATOM 1063 O LEU A 67 45.824 48.486 28.455 1.00 0.00 O ATOM 1064 CB LEU A 67 43.533 46.435 27.074 1.00 0.00 C ATOM 1065 CG LEU A 67 42.089 46.510 26.587 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.948 45.746 25.273 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.063 45.934 27.558 1.00 0.00 C ATOM 0 H LEU A 67 43.072 48.880 27.743 1.00 0.00 H new ATOM 0 HA LEU A 67 43.584 46.378 29.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.167 46.887 26.311 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.810 45.383 27.137 1.00 0.00 H new ATOM 0 HG LEU A 67 41.881 47.574 26.478 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.915 45.802 24.929 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.605 46.187 24.523 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.223 44.703 25.427 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.065 46.029 27.131 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.282 44.881 27.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.108 46.479 28.501 1.00 0.00 H new ATOM 1079 N HIS A 68 46.165 46.315 28.845 1.00 0.00 N ATOM 1080 CA HIS A 68 47.588 46.420 29.095 1.00 0.00 C ATOM 1081 C HIS A 68 48.393 45.779 27.963 1.00 0.00 C ATOM 1082 O HIS A 68 48.090 44.676 27.512 1.00 0.00 O ATOM 1083 CB HIS A 68 47.930 45.819 30.456 1.00 0.00 C ATOM 1084 CG HIS A 68 47.170 46.416 31.609 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.805 45.740 32.772 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.704 47.703 31.688 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.088 46.600 33.499 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.015 47.790 32.882 1.00 0.00 N ATOM 0 H HIS A 68 45.819 45.357 28.897 1.00 0.00 H new ATOM 0 HA HIS A 68 47.864 47.474 29.120 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.736 44.747 30.425 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.998 45.944 30.637 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.847 48.490 30.963 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.631 46.371 34.450 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.533 48.617 33.235 1.00 0.00 H new ATOM 1096 N LEU A 69 49.439 46.467 27.515 1.00 0.00 N ATOM 1097 CA LEU A 69 50.375 45.990 26.517 1.00 0.00 C ATOM 1098 C LEU A 69 51.738 45.742 27.165 1.00 0.00 C ATOM 1099 O LEU A 69 52.203 46.532 27.982 1.00 0.00 O ATOM 1100 CB LEU A 69 50.398 46.974 25.350 1.00 0.00 C ATOM 1101 CG LEU A 69 51.263 46.560 24.163 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.709 47.178 22.882 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.714 47.024 24.263 1.00 0.00 C ATOM 0 H LEU A 69 49.661 47.404 27.852 1.00 0.00 H new ATOM 0 HA LEU A 69 50.067 45.029 26.105 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.376 47.120 25.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.751 47.938 25.716 1.00 0.00 H new ATOM 0 HG LEU A 69 51.240 45.470 24.158 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.329 46.880 22.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.688 46.831 22.723 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.714 48.264 22.971 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.264 46.691 23.383 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.745 48.112 24.320 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.171 46.601 25.158 1.00 0.00 H new ATOM 1115 N VAL A 70 52.376 44.642 26.772 1.00 0.00 N ATOM 1116 CA VAL A 70 53.762 44.330 27.051 1.00 0.00 C ATOM 1117 C VAL A 70 54.422 43.887 25.744 1.00 0.00 C ATOM 1118 O VAL A 70 53.782 43.254 24.906 1.00 0.00 O ATOM 1119 CB VAL A 70 53.889 43.258 28.130 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.335 43.083 28.584 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.081 43.583 29.382 1.00 0.00 C ATOM 0 H VAL A 70 51.913 43.915 26.226 1.00 0.00 H new ATOM 0 HA VAL A 70 54.267 45.215 27.439 1.00 0.00 H new ATOM 0 HB VAL A 70 53.509 42.349 27.663 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.384 42.311 29.352 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.950 42.788 27.734 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.705 44.024 28.991 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.209 42.786 30.115 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.429 44.525 29.806 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.026 43.670 29.122 1.00 0.00 H new