USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 62 GLN : amide:sc= 0.129 K(o=0.26,f=-1.5) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -107:sc= 0.132 (180deg=0) USER MOD Set 2.1: A 55 THR OG1 : rot 134:sc= 1.5 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1 USER MOD Set 3.1: A 22 THR OG1 : rot -79:sc= 1.35 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.56 K(o=2.9,f=-6.8!) USER MOD Set 4.1: A 7 THR OG1 : rot -73:sc= 0.98 USER MOD Set 4.2: A 9 THR OG1 : rot 28:sc= 0.078 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.11 (180deg=1.98) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.34 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.52 (180deg=1.52) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 2.28 (180deg=2.15) USER MOD Single : A 31 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.947) USER MOD Single : A 40 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.85) USER MOD Single : A 41 GLN : amide:sc= 0.842 K(o=0.84,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.87) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.564 USER MOD Single : A 60 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6!) USER MOD Single : A 65 SER OG : rot 84:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 68 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.815 52.064 19.629 1.00 0.00 N ATOM 2 CA MET A 1 33.214 52.423 20.999 1.00 0.00 C ATOM 3 C MET A 1 34.713 52.724 21.050 1.00 0.00 C ATOM 4 O MET A 1 35.482 52.231 20.229 1.00 0.00 O ATOM 5 CB MET A 1 32.834 51.351 22.018 1.00 0.00 C ATOM 6 CG MET A 1 33.525 50.004 21.823 1.00 0.00 C ATOM 7 SD MET A 1 33.179 48.800 23.130 1.00 0.00 S ATOM 8 CE MET A 1 34.385 47.512 22.723 1.00 0.00 C ATOM 0 H1 MET A 1 31.777 52.027 19.568 1.00 0.00 H new ATOM 0 H2 MET A 1 33.176 52.778 18.964 1.00 0.00 H new ATOM 0 H3 MET A 1 33.209 51.133 19.385 1.00 0.00 H new ATOM 0 HA MET A 1 32.662 53.322 21.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.067 51.721 23.017 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.755 51.199 21.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.216 49.584 20.866 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.602 50.165 21.767 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.300 46.694 23.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.191 47.136 21.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.391 47.929 22.766 1.00 0.00 H new ATOM 20 N GLN A 2 35.132 53.478 22.064 1.00 0.00 N ATOM 21 CA GLN A 2 36.533 53.689 22.369 1.00 0.00 C ATOM 22 C GLN A 2 37.033 52.643 23.369 1.00 0.00 C ATOM 23 O GLN A 2 36.323 52.291 24.309 1.00 0.00 O ATOM 24 CB GLN A 2 36.783 55.108 22.873 1.00 0.00 C ATOM 25 CG GLN A 2 36.437 56.152 21.815 1.00 0.00 C ATOM 26 CD GLN A 2 36.869 57.554 22.247 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.791 58.143 21.686 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.208 58.140 23.241 1.00 0.00 N ATOM 0 H GLN A 2 34.497 53.961 22.699 1.00 0.00 H new ATOM 0 HA GLN A 2 37.101 53.569 21.447 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.188 55.286 23.768 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.829 55.213 23.160 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.924 55.894 20.875 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.363 56.142 21.630 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.444 57.649 23.704 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.465 59.081 23.540 1.00 0.00 H new ATOM 37 N ILE A 3 38.276 52.204 23.198 1.00 0.00 N ATOM 38 CA ILE A 3 39.045 51.516 24.215 1.00 0.00 C ATOM 39 C ILE A 3 40.411 52.186 24.380 1.00 0.00 C ATOM 40 O ILE A 3 40.895 52.864 23.476 1.00 0.00 O ATOM 41 CB ILE A 3 39.183 50.018 23.958 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.926 49.707 22.662 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.816 49.342 24.021 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.321 48.242 22.493 1.00 0.00 C ATOM 0 H ILE A 3 38.785 52.323 22.322 1.00 0.00 H new ATOM 0 HA ILE A 3 38.491 51.600 25.150 1.00 0.00 H new ATOM 0 HB ILE A 3 39.803 49.602 24.752 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.299 50.000 21.820 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.826 50.320 22.618 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.929 48.274 23.836 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.380 49.495 25.008 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.161 49.774 23.264 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.844 48.113 21.545 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.976 47.945 23.312 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.426 47.620 22.501 1.00 0.00 H new ATOM 56 N PHE A 4 41.057 51.948 25.518 1.00 0.00 N ATOM 57 CA PHE A 4 42.405 52.404 25.793 1.00 0.00 C ATOM 58 C PHE A 4 43.383 51.230 25.868 1.00 0.00 C ATOM 59 O PHE A 4 43.013 50.123 26.254 1.00 0.00 O ATOM 60 CB PHE A 4 42.408 53.214 27.087 1.00 0.00 C ATOM 61 CG PHE A 4 41.514 54.431 27.088 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.868 55.571 26.356 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.333 54.427 27.840 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.051 56.706 26.386 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.513 55.562 27.871 1.00 0.00 C ATOM 66 CZ PHE A 4 39.874 56.702 27.143 1.00 0.00 C ATOM 0 H PHE A 4 40.644 51.421 26.287 1.00 0.00 H new ATOM 0 HA PHE A 4 42.739 53.042 24.975 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.106 52.561 27.906 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.429 53.534 27.294 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.773 55.574 25.767 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.053 53.546 28.398 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.329 57.586 25.825 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.605 55.558 28.455 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.244 57.579 27.166 1.00 0.00 H new ATOM 76 N VAL A 5 44.647 51.473 25.533 1.00 0.00 N ATOM 77 CA VAL A 5 45.722 50.507 25.632 1.00 0.00 C ATOM 78 C VAL A 5 46.912 51.156 26.342 1.00 0.00 C ATOM 79 O VAL A 5 47.531 52.068 25.798 1.00 0.00 O ATOM 80 CB VAL A 5 46.113 49.976 24.255 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.171 48.886 24.400 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.924 49.378 23.510 1.00 0.00 C ATOM 0 H VAL A 5 44.954 52.377 25.175 1.00 0.00 H new ATOM 0 HA VAL A 5 45.386 49.650 26.216 1.00 0.00 H new ATOM 0 HB VAL A 5 46.496 50.824 23.687 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.445 48.512 23.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.053 49.298 24.890 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.771 48.069 25.000 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.251 49.014 22.536 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.512 48.551 24.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.159 50.142 23.373 1.00 0.00 H new ATOM 92 N LYS A 6 47.211 50.694 27.552 1.00 0.00 N ATOM 93 CA LYS A 6 48.239 51.206 28.437 1.00 0.00 C ATOM 94 C LYS A 6 49.498 50.339 28.392 1.00 0.00 C ATOM 95 O LYS A 6 49.430 49.120 28.534 1.00 0.00 O ATOM 96 CB LYS A 6 47.663 51.328 29.845 1.00 0.00 C ATOM 97 CG LYS A 6 48.616 51.949 30.862 1.00 0.00 C ATOM 98 CD LYS A 6 48.002 52.069 32.254 1.00 0.00 C ATOM 99 CE LYS A 6 47.895 50.706 32.934 1.00 0.00 C ATOM 100 NZ LYS A 6 47.329 50.790 34.290 1.00 0.00 N ATOM 0 H LYS A 6 46.709 49.905 27.960 1.00 0.00 H new ATOM 0 HA LYS A 6 48.549 52.196 28.104 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.754 51.928 29.802 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.374 50.337 30.194 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.521 51.345 30.920 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.915 52.938 30.516 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.610 52.736 32.865 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.012 52.519 32.179 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.274 50.049 32.326 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.884 50.252 32.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.279 49.838 34.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.934 51.394 34.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.373 51.198 34.243 1.00 0.00 H new ATOM 114 N THR A 7 50.653 50.977 28.220 1.00 0.00 N ATOM 115 CA THR A 7 51.958 50.351 28.273 1.00 0.00 C ATOM 116 C THR A 7 52.445 50.153 29.710 1.00 0.00 C ATOM 117 O THR A 7 52.020 50.856 30.624 1.00 0.00 O ATOM 118 CB THR A 7 52.996 51.169 27.509 1.00 0.00 C ATOM 119 OG1 THR A 7 53.039 52.492 27.992 1.00 0.00 O ATOM 120 CG2 THR A 7 52.703 51.231 26.012 1.00 0.00 C ATOM 0 H THR A 7 50.700 51.979 28.034 1.00 0.00 H new ATOM 0 HA THR A 7 51.845 49.373 27.804 1.00 0.00 H new ATOM 0 HB THR A 7 53.950 50.666 27.665 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.242 52.976 27.690 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.471 51.824 25.515 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.701 50.222 25.600 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.728 51.691 25.851 1.00 0.00 H new ATOM 128 N LEU A 8 53.403 49.256 29.925 1.00 0.00 N ATOM 129 CA LEU A 8 54.072 49.095 31.200 1.00 0.00 C ATOM 130 C LEU A 8 54.859 50.340 31.615 1.00 0.00 C ATOM 131 O LEU A 8 55.019 50.596 32.807 1.00 0.00 O ATOM 132 CB LEU A 8 54.978 47.867 31.165 1.00 0.00 C ATOM 133 CG LEU A 8 54.283 46.532 30.909 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.309 45.405 30.992 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.163 46.237 31.903 1.00 0.00 C ATOM 0 H LEU A 8 53.737 48.615 29.205 1.00 0.00 H new ATOM 0 HA LEU A 8 53.299 48.951 31.955 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.731 48.017 30.391 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.507 47.803 32.116 1.00 0.00 H new ATOM 0 HG LEU A 8 53.836 46.597 29.917 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.816 44.450 30.810 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.084 45.562 30.242 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.761 45.397 31.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.710 45.274 31.666 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.572 46.207 32.913 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.406 47.019 31.841 1.00 0.00 H new ATOM 147 N THR A 9 55.284 51.153 30.653 1.00 0.00 N ATOM 148 CA THR A 9 55.870 52.468 30.810 1.00 0.00 C ATOM 149 C THR A 9 54.844 53.593 30.956 1.00 0.00 C ATOM 150 O THR A 9 55.202 54.768 30.968 1.00 0.00 O ATOM 151 CB THR A 9 56.846 52.746 29.671 1.00 0.00 C ATOM 152 OG1 THR A 9 56.261 52.395 28.436 1.00 0.00 O ATOM 153 CG2 THR A 9 58.124 51.922 29.799 1.00 0.00 C ATOM 0 H THR A 9 55.220 50.884 29.671 1.00 0.00 H new ATOM 0 HA THR A 9 56.412 52.456 31.755 1.00 0.00 H new ATOM 0 HB THR A 9 57.083 53.809 29.720 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.287 52.485 28.498 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.790 52.152 28.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.620 52.164 30.739 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.876 50.861 29.783 1.00 0.00 H new ATOM 161 N GLY A 10 53.561 53.270 31.098 1.00 0.00 N ATOM 162 CA GLY A 10 52.505 54.160 31.535 1.00 0.00 C ATOM 163 C GLY A 10 51.905 55.101 30.488 1.00 0.00 C ATOM 164 O GLY A 10 50.962 55.817 30.817 1.00 0.00 O ATOM 0 H GLY A 10 53.219 52.330 30.899 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.698 53.552 31.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.892 54.768 32.353 1.00 0.00 H new ATOM 168 N LYS A 11 52.384 55.099 29.246 1.00 0.00 N ATOM 169 CA LYS A 11 51.761 55.817 28.152 1.00 0.00 C ATOM 170 C LYS A 11 50.551 55.042 27.627 1.00 0.00 C ATOM 171 O LYS A 11 50.624 53.820 27.528 1.00 0.00 O ATOM 172 CB LYS A 11 52.773 56.100 27.045 1.00 0.00 C ATOM 173 CG LYS A 11 52.344 57.291 26.192 1.00 0.00 C ATOM 174 CD LYS A 11 53.152 57.431 24.906 1.00 0.00 C ATOM 175 CE LYS A 11 54.637 57.699 25.126 1.00 0.00 C ATOM 176 NZ LYS A 11 55.345 57.856 23.846 1.00 0.00 N ATOM 0 H LYS A 11 53.226 54.591 28.975 1.00 0.00 H new ATOM 0 HA LYS A 11 51.405 56.779 28.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.750 56.298 27.485 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.881 55.218 26.414 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.288 57.188 25.941 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.445 58.204 26.778 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.042 56.518 24.320 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.732 58.243 24.313 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.761 58.600 25.726 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.078 56.877 25.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.353 58.037 24.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.245 56.986 23.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.938 58.656 23.320 1.00 0.00 H new ATOM 190 N THR A 12 49.485 55.743 27.250 1.00 0.00 N ATOM 191 CA THR A 12 48.218 55.165 26.850 1.00 0.00 C ATOM 192 C THR A 12 47.754 55.647 25.474 1.00 0.00 C ATOM 193 O THR A 12 47.742 56.844 25.193 1.00 0.00 O ATOM 194 CB THR A 12 47.166 55.436 27.921 1.00 0.00 C ATOM 195 OG1 THR A 12 47.571 54.809 29.117 1.00 0.00 O ATOM 196 CG2 THR A 12 45.792 54.861 27.591 1.00 0.00 C ATOM 0 H THR A 12 49.486 56.762 27.216 1.00 0.00 H new ATOM 0 HA THR A 12 48.361 54.089 26.755 1.00 0.00 H new ATOM 0 HB THR A 12 47.083 56.520 27.997 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.905 54.976 29.816 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.097 55.093 28.398 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.428 55.299 26.661 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.868 53.780 27.478 1.00 0.00 H new ATOM 204 N ILE A 13 47.336 54.712 24.626 1.00 0.00 N ATOM 205 CA ILE A 13 46.835 54.910 23.281 1.00 0.00 C ATOM 206 C ILE A 13 45.320 54.700 23.261 1.00 0.00 C ATOM 207 O ILE A 13 44.823 53.819 23.959 1.00 0.00 O ATOM 208 CB ILE A 13 47.553 53.974 22.312 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.075 53.987 22.434 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.144 54.243 20.867 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.754 55.341 22.251 1.00 0.00 C ATOM 0 H ILE A 13 47.341 53.726 24.886 1.00 0.00 H new ATOM 0 HA ILE A 13 47.036 55.931 22.958 1.00 0.00 H new ATOM 0 HB ILE A 13 47.229 52.975 22.603 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.343 53.599 23.417 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.484 53.296 21.696 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.675 53.558 20.205 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.070 54.093 20.759 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.395 55.270 20.603 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.832 55.225 22.360 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.529 55.730 21.258 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.386 56.037 23.005 1.00 0.00 H new ATOM 223 N THR A 14 44.578 55.466 22.466 1.00 0.00 N ATOM 224 CA THR A 14 43.145 55.349 22.293 1.00 0.00 C ATOM 225 C THR A 14 42.815 54.711 20.943 1.00 0.00 C ATOM 226 O THR A 14 43.418 55.086 19.940 1.00 0.00 O ATOM 227 CB THR A 14 42.469 56.713 22.396 1.00 0.00 C ATOM 228 OG1 THR A 14 42.875 57.408 23.554 1.00 0.00 O ATOM 229 CG2 THR A 14 40.948 56.612 22.473 1.00 0.00 C ATOM 0 H THR A 14 44.982 56.215 21.904 1.00 0.00 H new ATOM 0 HA THR A 14 42.766 54.710 23.091 1.00 0.00 H new ATOM 0 HB THR A 14 42.768 57.240 21.490 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.478 56.986 24.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.520 57.612 22.545 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.570 56.119 21.577 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.666 56.033 23.352 1.00 0.00 H new ATOM 237 N LEU A 15 41.855 53.792 20.887 1.00 0.00 N ATOM 238 CA LEU A 15 41.418 53.111 19.685 1.00 0.00 C ATOM 239 C LEU A 15 39.897 53.154 19.529 1.00 0.00 C ATOM 240 O LEU A 15 39.187 53.083 20.529 1.00 0.00 O ATOM 241 CB LEU A 15 41.868 51.653 19.714 1.00 0.00 C ATOM 242 CG LEU A 15 43.338 51.372 20.015 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.529 49.863 20.141 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.304 51.868 18.944 1.00 0.00 C ATOM 0 H LEU A 15 41.342 53.493 21.717 1.00 0.00 H new ATOM 0 HA LEU A 15 41.869 53.629 18.839 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.267 51.131 20.459 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.633 51.210 18.746 1.00 0.00 H new ATOM 0 HG LEU A 15 43.568 51.911 20.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.575 49.645 20.356 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.905 49.484 20.951 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.243 49.381 19.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.326 51.628 19.237 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.075 51.383 17.995 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.202 52.948 18.834 1.00 0.00 H new ATOM 256 N GLU A 16 39.401 53.175 18.296 1.00 0.00 N ATOM 257 CA GLU A 16 38.006 53.000 17.947 1.00 0.00 C ATOM 258 C GLU A 16 37.766 51.589 17.407 1.00 0.00 C ATOM 259 O GLU A 16 38.391 51.163 16.438 1.00 0.00 O ATOM 260 CB GLU A 16 37.562 54.097 16.984 1.00 0.00 C ATOM 261 CG GLU A 16 36.169 53.962 16.378 1.00 0.00 C ATOM 262 CD GLU A 16 35.008 54.190 17.348 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.863 55.318 17.866 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.150 53.295 17.506 1.00 0.00 O ATOM 0 H GLU A 16 39.993 53.322 17.479 1.00 0.00 H new ATOM 0 HA GLU A 16 37.388 53.099 18.839 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.612 55.050 17.510 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.283 54.145 16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.078 54.672 15.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.072 52.964 15.950 1.00 0.00 H new ATOM 271 N VAL A 17 36.875 50.849 18.061 1.00 0.00 N ATOM 272 CA VAL A 17 36.588 49.443 17.855 1.00 0.00 C ATOM 273 C VAL A 17 35.102 49.144 18.062 1.00 0.00 C ATOM 274 O VAL A 17 34.389 49.910 18.706 1.00 0.00 O ATOM 275 CB VAL A 17 37.403 48.575 18.810 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.907 48.672 18.572 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.124 48.889 20.277 1.00 0.00 C ATOM 0 H VAL A 17 36.297 51.250 18.800 1.00 0.00 H new ATOM 0 HA VAL A 17 36.861 49.209 16.826 1.00 0.00 H new ATOM 0 HB VAL A 17 37.077 47.558 18.592 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.430 48.032 19.283 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.136 48.349 17.556 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.231 49.704 18.707 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.731 48.241 20.910 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.372 49.931 20.480 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.069 48.719 20.491 1.00 0.00 H new ATOM 287 N GLU A 18 34.628 47.996 17.588 1.00 0.00 N ATOM 288 CA GLU A 18 33.376 47.409 18.019 1.00 0.00 C ATOM 289 C GLU A 18 33.631 46.222 18.951 1.00 0.00 C ATOM 290 O GLU A 18 34.708 45.635 18.884 1.00 0.00 O ATOM 291 CB GLU A 18 32.562 46.987 16.799 1.00 0.00 C ATOM 292 CG GLU A 18 32.153 48.151 15.900 1.00 0.00 C ATOM 293 CD GLU A 18 31.251 49.139 16.642 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.052 48.835 16.824 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.720 50.203 17.101 1.00 0.00 O ATOM 0 H GLU A 18 35.115 47.443 16.883 1.00 0.00 H new ATOM 0 HA GLU A 18 32.806 48.150 18.578 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.144 46.275 16.214 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.665 46.466 17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.044 48.667 15.543 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.632 47.769 15.022 1.00 0.00 H new ATOM 302 N PRO A 19 32.680 45.799 19.779 1.00 0.00 N ATOM 303 CA PRO A 19 32.809 44.593 20.572 1.00 0.00 C ATOM 304 C PRO A 19 33.156 43.334 19.776 1.00 0.00 C ATOM 305 O PRO A 19 33.739 42.397 20.317 1.00 0.00 O ATOM 306 CB PRO A 19 31.475 44.431 21.294 1.00 0.00 C ATOM 307 CG PRO A 19 30.959 45.862 21.414 1.00 0.00 C ATOM 308 CD PRO A 19 31.464 46.505 20.126 1.00 0.00 C ATOM 0 HA PRO A 19 33.653 44.704 21.253 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.787 43.802 20.729 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.602 43.967 22.272 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.872 45.897 21.486 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.353 46.362 22.299 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.723 46.421 19.331 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.657 47.568 20.270 1.00 0.00 H new ATOM 316 N SER A 20 32.831 43.323 18.485 1.00 0.00 N ATOM 317 CA SER A 20 33.123 42.259 17.547 1.00 0.00 C ATOM 318 C SER A 20 34.533 42.267 16.951 1.00 0.00 C ATOM 319 O SER A 20 34.866 41.327 16.232 1.00 0.00 O ATOM 320 CB SER A 20 32.074 42.275 16.440 1.00 0.00 C ATOM 321 OG SER A 20 32.189 43.432 15.644 1.00 0.00 O ATOM 0 H SER A 20 32.332 44.099 18.050 1.00 0.00 H new ATOM 0 HA SER A 20 33.084 41.334 18.123 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.187 41.389 15.816 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.077 42.231 16.879 1.00 0.00 H new ATOM 0 HG SER A 20 31.506 43.415 14.942 1.00 0.00 H new ATOM 327 N ASP A 21 35.357 43.277 17.210 1.00 0.00 N ATOM 328 CA ASP A 21 36.743 43.322 16.794 1.00 0.00 C ATOM 329 C ASP A 21 37.556 42.214 17.466 1.00 0.00 C ATOM 330 O ASP A 21 37.401 41.967 18.659 1.00 0.00 O ATOM 331 CB ASP A 21 37.375 44.674 17.119 1.00 0.00 C ATOM 332 CG ASP A 21 37.048 45.804 16.140 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.881 46.001 15.739 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.978 46.534 15.736 1.00 0.00 O ATOM 0 H ASP A 21 35.066 44.106 17.729 1.00 0.00 H new ATOM 0 HA ASP A 21 36.757 43.173 15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.054 44.976 18.116 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.457 44.550 17.156 1.00 0.00 H new ATOM 339 N THR A 22 38.444 41.561 16.722 1.00 0.00 N ATOM 340 CA THR A 22 39.363 40.587 17.277 1.00 0.00 C ATOM 341 C THR A 22 40.572 41.226 17.961 1.00 0.00 C ATOM 342 O THR A 22 40.937 42.361 17.663 1.00 0.00 O ATOM 343 CB THR A 22 39.823 39.516 16.292 1.00 0.00 C ATOM 344 OG1 THR A 22 40.711 40.022 15.320 1.00 0.00 O ATOM 345 CG2 THR A 22 38.680 38.805 15.575 1.00 0.00 C ATOM 0 H THR A 22 38.542 41.697 15.716 1.00 0.00 H new ATOM 0 HA THR A 22 38.765 40.081 18.035 1.00 0.00 H new ATOM 0 HB THR A 22 40.338 38.789 16.920 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.203 40.495 14.628 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.087 38.059 14.892 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.039 38.315 16.308 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.096 39.532 15.011 1.00 0.00 H new ATOM 353 N ILE A 23 41.264 40.484 18.821 1.00 0.00 N ATOM 354 CA ILE A 23 42.514 40.916 19.414 1.00 0.00 C ATOM 355 C ILE A 23 43.574 41.187 18.344 1.00 0.00 C ATOM 356 O ILE A 23 44.360 42.118 18.505 1.00 0.00 O ATOM 357 CB ILE A 23 42.973 39.905 20.461 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.971 39.700 21.593 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.344 40.234 21.046 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.541 40.946 22.361 1.00 0.00 C ATOM 0 H ILE A 23 40.965 39.557 19.125 1.00 0.00 H new ATOM 0 HA ILE A 23 42.355 41.865 19.926 1.00 0.00 H new ATOM 0 HB ILE A 23 43.048 38.969 19.908 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.079 39.232 21.177 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.400 38.993 22.303 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.615 39.479 21.784 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.087 40.245 20.248 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.310 41.213 21.524 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.829 40.667 23.137 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.414 41.410 22.819 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.072 41.652 21.676 1.00 0.00 H new ATOM 372 N GLU A 24 43.567 40.481 17.217 1.00 0.00 N ATOM 373 CA GLU A 24 44.417 40.813 16.092 1.00 0.00 C ATOM 374 C GLU A 24 44.053 42.152 15.446 1.00 0.00 C ATOM 375 O GLU A 24 44.953 42.926 15.128 1.00 0.00 O ATOM 376 CB GLU A 24 44.398 39.690 15.060 1.00 0.00 C ATOM 377 CG GLU A 24 45.504 39.840 14.019 1.00 0.00 C ATOM 378 CD GLU A 24 45.548 38.609 13.112 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.991 38.651 11.994 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.141 37.588 13.526 1.00 0.00 O ATOM 0 H GLU A 24 42.972 39.667 17.064 1.00 0.00 H new ATOM 0 HA GLU A 24 45.429 40.923 16.481 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.508 38.732 15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.430 39.677 14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.331 40.735 13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.466 39.969 14.516 1.00 0.00 H new ATOM 387 N ASN A 25 42.769 42.479 15.323 1.00 0.00 N ATOM 388 CA ASN A 25 42.356 43.797 14.882 1.00 0.00 C ATOM 389 C ASN A 25 42.837 44.885 15.843 1.00 0.00 C ATOM 390 O ASN A 25 43.311 45.927 15.394 1.00 0.00 O ATOM 391 CB ASN A 25 40.844 43.891 14.705 1.00 0.00 C ATOM 392 CG ASN A 25 40.271 42.920 13.670 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.518 42.009 14.005 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.603 43.079 12.391 1.00 0.00 N ATOM 0 H ASN A 25 41.998 41.842 15.525 1.00 0.00 H new ATOM 0 HA ASN A 25 42.822 43.959 13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.365 43.704 15.666 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.586 44.909 14.413 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.232 42.443 11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.228 43.837 12.117 1.00 0.00 H new ATOM 401 N VAL A 26 42.786 44.649 17.152 1.00 0.00 N ATOM 402 CA VAL A 26 43.325 45.557 18.144 1.00 0.00 C ATOM 403 C VAL A 26 44.837 45.719 17.971 1.00 0.00 C ATOM 404 O VAL A 26 45.305 46.853 17.911 1.00 0.00 O ATOM 405 CB VAL A 26 42.946 45.135 19.560 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.550 46.042 20.628 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.434 45.173 19.761 1.00 0.00 C ATOM 0 H VAL A 26 42.363 43.811 17.551 1.00 0.00 H new ATOM 0 HA VAL A 26 42.874 46.536 17.984 1.00 0.00 H new ATOM 0 HB VAL A 26 43.337 44.124 19.669 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.246 45.694 21.615 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.637 46.018 20.553 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.198 47.063 20.480 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.195 44.867 20.779 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.070 46.186 19.591 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.956 44.493 19.056 1.00 0.00 H new ATOM 417 N LYS A 27 45.596 44.643 17.791 1.00 0.00 N ATOM 418 CA LYS A 27 47.017 44.703 17.512 1.00 0.00 C ATOM 419 C LYS A 27 47.347 45.463 16.226 1.00 0.00 C ATOM 420 O LYS A 27 48.299 46.240 16.201 1.00 0.00 O ATOM 421 CB LYS A 27 47.614 43.303 17.404 1.00 0.00 C ATOM 422 CG LYS A 27 47.760 42.540 18.718 1.00 0.00 C ATOM 423 CD LYS A 27 48.369 41.178 18.401 1.00 0.00 C ATOM 424 CE LYS A 27 48.817 40.412 19.642 1.00 0.00 C ATOM 425 NZ LYS A 27 49.615 39.242 19.246 1.00 0.00 N ATOM 0 H LYS A 27 45.230 43.692 17.837 1.00 0.00 H new ATOM 0 HA LYS A 27 47.453 45.243 18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.991 42.714 16.731 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.597 43.383 16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.396 43.091 19.411 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.790 42.422 19.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.638 40.579 17.857 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.224 41.316 17.739 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.405 41.063 20.289 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.948 40.093 20.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.960 38.753 20.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.025 38.592 18.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.425 39.552 18.673 1.00 0.00 H new ATOM 439 N ALA A 28 46.565 45.274 15.167 1.00 0.00 N ATOM 440 CA ALA A 28 46.728 45.960 13.899 1.00 0.00 C ATOM 441 C ALA A 28 46.369 47.444 13.981 1.00 0.00 C ATOM 442 O ALA A 28 47.033 48.268 13.356 1.00 0.00 O ATOM 443 CB ALA A 28 45.904 45.218 12.851 1.00 0.00 C ATOM 0 H ALA A 28 45.781 44.621 15.172 1.00 0.00 H new ATOM 0 HA ALA A 28 47.780 45.946 13.614 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.010 45.715 11.887 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.258 44.190 12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.855 45.218 13.146 1.00 0.00 H new ATOM 449 N LYS A 29 45.392 47.813 14.804 1.00 0.00 N ATOM 450 CA LYS A 29 45.038 49.186 15.106 1.00 0.00 C ATOM 451 C LYS A 29 46.086 49.873 15.982 1.00 0.00 C ATOM 452 O LYS A 29 46.352 51.056 15.780 1.00 0.00 O ATOM 453 CB LYS A 29 43.636 49.232 15.708 1.00 0.00 C ATOM 454 CG LYS A 29 42.547 49.021 14.659 1.00 0.00 C ATOM 455 CD LYS A 29 41.150 48.991 15.272 1.00 0.00 C ATOM 456 CE LYS A 29 40.115 48.918 14.152 1.00 0.00 C ATOM 457 NZ LYS A 29 38.733 48.947 14.657 1.00 0.00 N ATOM 0 H LYS A 29 44.807 47.136 15.294 1.00 0.00 H new ATOM 0 HA LYS A 29 45.024 49.758 14.178 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.549 48.466 16.478 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.485 50.194 16.197 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.599 49.819 13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.730 48.085 14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.048 48.131 15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.986 49.882 15.878 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.266 49.753 13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.269 48.004 13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.071 48.963 13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.557 48.100 15.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.594 49.798 15.239 1.00 0.00 H new ATOM 471 N ILE A 30 46.741 49.147 16.884 1.00 0.00 N ATOM 472 CA ILE A 30 47.927 49.587 17.591 1.00 0.00 C ATOM 473 C ILE A 30 49.083 49.810 16.614 1.00 0.00 C ATOM 474 O ILE A 30 49.729 50.853 16.685 1.00 0.00 O ATOM 475 CB ILE A 30 48.306 48.627 18.714 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.265 48.644 19.830 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.681 48.938 19.298 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.324 47.418 20.736 1.00 0.00 C ATOM 0 H ILE A 30 46.446 48.207 17.147 1.00 0.00 H new ATOM 0 HA ILE A 30 47.702 50.543 18.065 1.00 0.00 H new ATOM 0 HB ILE A 30 48.341 47.632 18.269 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.407 49.540 20.435 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.271 48.712 19.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.907 48.228 20.094 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.435 48.858 18.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.684 49.950 19.703 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.557 47.497 21.506 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.152 46.519 20.144 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.305 47.360 21.207 1.00 0.00 H new ATOM 490 N GLN A 31 49.324 48.902 15.671 1.00 0.00 N ATOM 491 CA GLN A 31 50.349 49.060 14.660 1.00 0.00 C ATOM 492 C GLN A 31 50.157 50.339 13.843 1.00 0.00 C ATOM 493 O GLN A 31 51.136 51.039 13.593 1.00 0.00 O ATOM 494 CB GLN A 31 50.399 47.831 13.755 1.00 0.00 C ATOM 495 CG GLN A 31 51.573 47.857 12.782 1.00 0.00 C ATOM 496 CD GLN A 31 51.606 46.629 11.871 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.645 45.872 11.757 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.707 46.367 11.173 1.00 0.00 N ATOM 0 H GLN A 31 48.803 48.028 15.593 1.00 0.00 H new ATOM 0 HA GLN A 31 51.306 49.153 15.173 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.465 46.935 14.372 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.468 47.763 13.192 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.514 48.757 12.171 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.505 47.914 13.344 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.518 46.981 11.251 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.740 45.552 10.560 1.00 0.00 H new ATOM 507 N ASP A 32 48.927 50.685 13.470 1.00 0.00 N ATOM 508 CA ASP A 32 48.629 51.898 12.737 1.00 0.00 C ATOM 509 C ASP A 32 48.950 53.190 13.491 1.00 0.00 C ATOM 510 O ASP A 32 49.233 54.193 12.840 1.00 0.00 O ATOM 511 CB ASP A 32 47.167 51.892 12.302 1.00 0.00 C ATOM 512 CG ASP A 32 46.802 50.813 11.280 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.610 50.508 10.377 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.665 50.298 11.354 1.00 0.00 O ATOM 0 H ASP A 32 48.104 50.119 13.674 1.00 0.00 H new ATOM 0 HA ASP A 32 49.289 51.894 11.869 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.541 51.762 13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.925 52.868 11.881 1.00 0.00 H new ATOM 519 N LYS A 33 48.947 53.199 14.822 1.00 0.00 N ATOM 520 CA LYS A 33 49.232 54.369 15.626 1.00 0.00 C ATOM 521 C LYS A 33 50.631 54.401 16.245 1.00 0.00 C ATOM 522 O LYS A 33 51.203 55.484 16.359 1.00 0.00 O ATOM 523 CB LYS A 33 48.145 54.575 16.677 1.00 0.00 C ATOM 524 CG LYS A 33 46.803 54.943 16.050 1.00 0.00 C ATOM 525 CD LYS A 33 45.770 55.355 17.094 1.00 0.00 C ATOM 526 CE LYS A 33 44.438 55.681 16.425 1.00 0.00 C ATOM 527 NZ LYS A 33 43.444 56.164 17.395 1.00 0.00 N ATOM 0 H LYS A 33 48.740 52.369 15.378 1.00 0.00 H new ATOM 0 HA LYS A 33 49.225 55.210 14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.032 53.664 17.265 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.451 55.363 17.365 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.947 55.760 15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.424 54.093 15.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.634 54.551 17.817 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.129 56.223 17.647 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.593 56.438 15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.055 54.792 15.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.487 55.992 17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.564 55.658 18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.577 57.184 17.550 1.00 0.00 H new ATOM 541 N GLU A 34 51.215 53.267 16.620 1.00 0.00 N ATOM 542 CA GLU A 34 52.528 53.176 17.225 1.00 0.00 C ATOM 543 C GLU A 34 53.632 52.640 16.311 1.00 0.00 C ATOM 544 O GLU A 34 54.804 52.881 16.593 1.00 0.00 O ATOM 545 CB GLU A 34 52.465 52.328 18.492 1.00 0.00 C ATOM 546 CG GLU A 34 51.995 53.077 19.737 1.00 0.00 C ATOM 547 CD GLU A 34 53.035 54.094 20.210 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.028 53.698 20.858 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.869 55.297 19.915 1.00 0.00 O ATOM 0 H GLU A 34 50.767 52.358 16.504 1.00 0.00 H new ATOM 0 HA GLU A 34 52.804 54.206 17.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.796 51.486 18.317 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.454 51.914 18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.057 53.589 19.522 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.793 52.364 20.536 1.00 0.00 H new ATOM 556 N GLY A 35 53.316 51.925 15.236 1.00 0.00 N ATOM 557 CA GLY A 35 54.308 51.327 14.366 1.00 0.00 C ATOM 558 C GLY A 35 54.984 50.078 14.934 1.00 0.00 C ATOM 559 O GLY A 35 56.195 49.916 14.795 1.00 0.00 O ATOM 0 H GLY A 35 52.354 51.746 14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.833 51.068 13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.074 52.070 14.146 1.00 0.00 H new ATOM 563 N ILE A 36 54.220 49.217 15.602 1.00 0.00 N ATOM 564 CA ILE A 36 54.669 48.001 16.248 1.00 0.00 C ATOM 565 C ILE A 36 53.935 46.810 15.632 1.00 0.00 C ATOM 566 O ILE A 36 52.721 46.724 15.808 1.00 0.00 O ATOM 567 CB ILE A 36 54.429 48.078 17.753 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.118 49.281 18.393 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.893 46.796 18.440 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.740 49.527 19.850 1.00 0.00 C ATOM 0 H ILE A 36 53.216 49.364 15.709 1.00 0.00 H new ATOM 0 HA ILE A 36 55.741 47.876 16.093 1.00 0.00 H new ATOM 0 HB ILE A 36 53.354 48.199 17.891 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.197 49.141 18.330 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.877 50.172 17.813 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.713 46.872 19.512 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.340 45.947 18.038 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.958 46.652 18.260 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.276 50.400 20.223 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.667 49.702 19.923 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.007 48.655 20.447 1.00 0.00 H new ATOM 582 N PRO A 37 54.589 45.898 14.919 1.00 0.00 N ATOM 583 CA PRO A 37 53.950 44.750 14.307 1.00 0.00 C ATOM 584 C PRO A 37 53.180 43.838 15.266 1.00 0.00 C ATOM 585 O PRO A 37 53.559 43.743 16.431 1.00 0.00 O ATOM 586 CB PRO A 37 55.057 43.981 13.591 1.00 0.00 C ATOM 587 CG PRO A 37 56.052 45.080 13.230 1.00 0.00 C ATOM 588 CD PRO A 37 55.944 46.027 14.421 1.00 0.00 C ATOM 0 HA PRO A 37 53.175 45.109 13.630 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.506 43.225 14.235 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.684 43.466 12.706 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.063 44.690 13.112 1.00 0.00 H new ATOM 0 HG3 PRO A 37 55.790 45.573 12.294 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.669 45.766 15.192 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.153 47.054 14.122 1.00 0.00 H new ATOM 596 N PRO A 38 52.148 43.124 14.828 1.00 0.00 N ATOM 597 CA PRO A 38 51.296 42.339 15.698 1.00 0.00 C ATOM 598 C PRO A 38 52.008 41.186 16.408 1.00 0.00 C ATOM 599 O PRO A 38 51.648 40.814 17.523 1.00 0.00 O ATOM 600 CB PRO A 38 50.171 41.800 14.818 1.00 0.00 C ATOM 601 CG PRO A 38 50.136 42.765 13.636 1.00 0.00 C ATOM 602 CD PRO A 38 51.620 43.083 13.479 1.00 0.00 C ATOM 0 HA PRO A 38 50.938 42.978 16.505 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.371 40.779 14.494 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.220 41.785 15.350 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.715 42.307 12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.543 43.655 13.847 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.124 42.323 12.882 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.766 44.036 12.970 1.00 0.00 H new ATOM 610 N ASP A 39 53.056 40.651 15.788 1.00 0.00 N ATOM 611 CA ASP A 39 53.880 39.580 16.309 1.00 0.00 C ATOM 612 C ASP A 39 54.866 40.022 17.391 1.00 0.00 C ATOM 613 O ASP A 39 55.434 39.166 18.066 1.00 0.00 O ATOM 614 CB ASP A 39 54.582 38.884 15.146 1.00 0.00 C ATOM 615 CG ASP A 39 55.393 39.855 14.286 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.640 39.837 14.368 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.775 40.611 13.505 1.00 0.00 O ATOM 0 H ASP A 39 53.362 40.971 14.869 1.00 0.00 H new ATOM 0 HA ASP A 39 53.221 38.876 16.818 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.243 38.110 15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.839 38.385 14.523 1.00 0.00 H new ATOM 622 N GLN A 40 55.018 41.324 17.614 1.00 0.00 N ATOM 623 CA GLN A 40 55.805 41.893 18.690 1.00 0.00 C ATOM 624 C GLN A 40 54.984 42.221 19.939 1.00 0.00 C ATOM 625 O GLN A 40 55.552 42.654 20.939 1.00 0.00 O ATOM 626 CB GLN A 40 56.541 43.135 18.193 1.00 0.00 C ATOM 627 CG GLN A 40 57.503 42.862 17.041 1.00 0.00 C ATOM 628 CD GLN A 40 58.273 44.110 16.606 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.393 45.102 17.322 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.839 44.123 15.403 1.00 0.00 N ATOM 0 H GLN A 40 54.579 42.033 17.026 1.00 0.00 H new ATOM 0 HA GLN A 40 56.522 41.130 18.992 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.808 43.876 17.874 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.097 43.572 19.022 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.211 42.089 17.340 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.944 42.471 16.191 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.754 43.312 14.790 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.359 44.944 15.093 1.00 0.00 H new ATOM 639 N GLN A 41 53.670 42.021 19.910 1.00 0.00 N ATOM 640 CA GLN A 41 52.735 42.428 20.940 1.00 0.00 C ATOM 641 C GLN A 41 52.100 41.226 21.644 1.00 0.00 C ATOM 642 O GLN A 41 51.730 40.262 20.976 1.00 0.00 O ATOM 643 CB GLN A 41 51.612 43.259 20.327 1.00 0.00 C ATOM 644 CG GLN A 41 52.019 44.522 19.573 1.00 0.00 C ATOM 645 CD GLN A 41 50.799 45.219 18.966 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.744 45.325 19.588 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.849 45.700 17.726 1.00 0.00 N ATOM 0 H GLN A 41 53.213 41.549 19.130 1.00 0.00 H new ATOM 0 HA GLN A 41 53.300 43.010 21.668 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.053 42.621 19.643 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.928 43.546 21.126 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.532 45.205 20.251 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.726 44.266 18.784 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.711 45.627 17.185 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.026 46.142 17.317 1.00 0.00 H new ATOM 656 N ARG A 42 51.828 41.331 22.941 1.00 0.00 N ATOM 657 CA ARG A 42 50.789 40.584 23.621 1.00 0.00 C ATOM 658 C ARG A 42 49.927 41.502 24.489 1.00 0.00 C ATOM 659 O ARG A 42 50.441 42.427 25.116 1.00 0.00 O ATOM 660 CB ARG A 42 51.352 39.387 24.382 1.00 0.00 C ATOM 661 CG ARG A 42 52.401 39.721 25.439 1.00 0.00 C ATOM 662 CD ARG A 42 52.820 38.477 26.216 1.00 0.00 C ATOM 663 NE ARG A 42 54.074 38.693 26.937 1.00 0.00 N ATOM 664 CZ ARG A 42 54.282 38.723 28.260 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.337 38.443 29.168 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.499 39.052 28.716 1.00 0.00 N ATOM 0 H ARG A 42 52.342 41.957 23.561 1.00 0.00 H new ATOM 0 HA ARG A 42 50.127 40.164 22.864 1.00 0.00 H new ATOM 0 HB2 ARG A 42 50.527 38.864 24.865 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.791 38.695 23.664 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.274 40.165 24.961 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.002 40.466 26.128 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.035 38.206 26.922 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.934 37.639 25.529 1.00 0.00 H new ATOM 0 HE ARG A 42 54.899 38.840 26.356 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.397 38.190 28.864 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.558 38.483 30.163 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.247 39.274 28.059 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.677 39.080 29.720 1.00 0.00 H new ATOM 680 N LEU A 43 48.621 41.259 24.516 1.00 0.00 N ATOM 681 CA LEU A 43 47.630 42.055 25.211 1.00 0.00 C ATOM 682 C LEU A 43 47.037 41.305 26.407 1.00 0.00 C ATOM 683 O LEU A 43 46.844 40.093 26.354 1.00 0.00 O ATOM 684 CB LEU A 43 46.555 42.493 24.221 1.00 0.00 C ATOM 685 CG LEU A 43 47.007 43.589 23.259 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.081 43.660 22.049 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.999 44.963 23.921 1.00 0.00 C ATOM 0 H LEU A 43 48.211 40.462 24.029 1.00 0.00 H new ATOM 0 HA LEU A 43 48.111 42.943 25.621 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.233 41.627 23.643 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.686 42.847 24.776 1.00 0.00 H new ATOM 0 HG LEU A 43 48.022 43.332 22.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.421 44.447 21.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.093 42.704 21.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.066 43.879 22.380 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.327 45.715 23.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.989 45.199 24.258 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.675 44.959 24.776 1.00 0.00 H new ATOM 699 N ILE A 44 46.751 42.035 27.481 1.00 0.00 N ATOM 700 CA ILE A 44 46.254 41.557 28.755 1.00 0.00 C ATOM 701 C ILE A 44 45.023 42.357 29.186 1.00 0.00 C ATOM 702 O ILE A 44 44.987 43.577 29.043 1.00 0.00 O ATOM 703 CB ILE A 44 47.375 41.582 29.790 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.364 40.449 29.531 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.871 41.498 31.227 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.686 40.542 30.288 1.00 0.00 C ATOM 0 H ILE A 44 46.871 43.048 27.477 1.00 0.00 H new ATOM 0 HA ILE A 44 45.928 40.521 28.659 1.00 0.00 H new ATOM 0 HB ILE A 44 47.869 42.547 29.678 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.884 39.505 29.789 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.579 40.415 28.463 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.719 41.521 31.912 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.216 42.344 31.433 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.318 40.569 31.365 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.313 39.688 30.031 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.198 41.464 30.014 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.492 40.540 31.361 1.00 0.00 H new ATOM 718 N PHE A 45 44.034 41.683 29.764 1.00 0.00 N ATOM 719 CA PHE A 45 42.948 42.294 30.504 1.00 0.00 C ATOM 720 C PHE A 45 42.520 41.408 31.676 1.00 0.00 C ATOM 721 O PHE A 45 42.556 40.183 31.583 1.00 0.00 O ATOM 722 CB PHE A 45 41.783 42.608 29.570 1.00 0.00 C ATOM 723 CG PHE A 45 40.652 43.364 30.225 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.765 44.742 30.443 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.490 42.690 30.618 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.720 45.448 31.052 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.441 43.395 31.218 1.00 0.00 C ATOM 728 CZ PHE A 45 38.559 44.772 31.441 1.00 0.00 C ATOM 0 H PHE A 45 43.969 40.666 29.726 1.00 0.00 H new ATOM 0 HA PHE A 45 43.296 43.236 30.927 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.154 43.191 28.727 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.394 41.674 29.165 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.661 45.263 30.140 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.403 41.625 30.458 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.810 46.511 31.221 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.540 42.877 31.509 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.753 45.313 31.914 1.00 0.00 H new ATOM 738 N ALA A 46 42.157 42.027 32.796 1.00 0.00 N ATOM 739 CA ALA A 46 41.919 41.389 34.076 1.00 0.00 C ATOM 740 C ALA A 46 43.022 40.407 34.473 1.00 0.00 C ATOM 741 O ALA A 46 42.758 39.284 34.898 1.00 0.00 O ATOM 742 CB ALA A 46 40.502 40.821 34.102 1.00 0.00 C ATOM 0 H ALA A 46 42.015 43.037 32.831 1.00 0.00 H new ATOM 0 HA ALA A 46 41.975 42.138 34.866 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.320 40.341 35.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.784 41.628 33.958 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.389 40.088 33.303 1.00 0.00 H new ATOM 748 N GLY A 47 44.279 40.800 34.280 1.00 0.00 N ATOM 749 CA GLY A 47 45.453 40.012 34.596 1.00 0.00 C ATOM 750 C GLY A 47 45.752 38.826 33.676 1.00 0.00 C ATOM 751 O GLY A 47 46.784 38.185 33.859 1.00 0.00 O ATOM 0 H GLY A 47 44.509 41.711 33.884 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.319 40.674 34.590 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.346 39.635 35.613 1.00 0.00 H new ATOM 755 N LYS A 48 44.899 38.527 32.701 1.00 0.00 N ATOM 756 CA LYS A 48 44.977 37.379 31.819 1.00 0.00 C ATOM 757 C LYS A 48 45.292 37.779 30.377 1.00 0.00 C ATOM 758 O LYS A 48 44.828 38.815 29.904 1.00 0.00 O ATOM 759 CB LYS A 48 43.666 36.602 31.912 1.00 0.00 C ATOM 760 CG LYS A 48 43.576 35.810 33.212 1.00 0.00 C ATOM 761 CD LYS A 48 42.202 35.185 33.437 1.00 0.00 C ATOM 762 CE LYS A 48 41.178 36.238 33.852 1.00 0.00 C ATOM 763 NZ LYS A 48 39.920 35.625 34.305 1.00 0.00 N ATOM 0 H LYS A 48 44.091 39.116 32.498 1.00 0.00 H new ATOM 0 HA LYS A 48 45.802 36.743 32.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.826 37.294 31.848 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.584 35.922 31.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.330 35.023 33.204 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.811 36.468 34.049 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.870 34.691 32.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.271 34.417 34.208 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.592 36.853 34.651 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.977 36.902 33.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.249 36.371 34.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.512 35.059 33.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.108 35.011 35.123 1.00 0.00 H new ATOM 777 N GLN A 49 46.072 36.964 29.673 1.00 0.00 N ATOM 778 CA GLN A 49 46.469 37.220 28.303 1.00 0.00 C ATOM 779 C GLN A 49 45.363 36.892 27.298 1.00 0.00 C ATOM 780 O GLN A 49 44.707 35.856 27.395 1.00 0.00 O ATOM 781 CB GLN A 49 47.723 36.429 27.941 1.00 0.00 C ATOM 782 CG GLN A 49 48.979 36.835 28.705 1.00 0.00 C ATOM 783 CD GLN A 49 50.215 36.078 28.216 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.235 35.477 27.143 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.320 36.117 28.955 1.00 0.00 N ATOM 0 H GLN A 49 46.449 36.094 30.050 1.00 0.00 H new ATOM 0 HA GLN A 49 46.675 38.289 28.243 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.532 35.371 28.120 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.912 36.543 26.873 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.142 37.907 28.592 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.834 36.645 29.768 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.320 36.611 29.847 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.168 35.653 28.630 1.00 0.00 H new ATOM 794 N LEU A 50 45.203 37.741 26.287 1.00 0.00 N ATOM 795 CA LEU A 50 44.163 37.662 25.281 1.00 0.00 C ATOM 796 C LEU A 50 44.711 37.091 23.971 1.00 0.00 C ATOM 797 O LEU A 50 45.819 37.442 23.569 1.00 0.00 O ATOM 798 CB LEU A 50 43.534 39.039 25.093 1.00 0.00 C ATOM 799 CG LEU A 50 43.212 39.829 26.359 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.553 41.149 25.973 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.289 39.088 27.322 1.00 0.00 C ATOM 0 H LEU A 50 45.826 38.536 26.146 1.00 0.00 H new ATOM 0 HA LEU A 50 43.384 36.976 25.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.207 39.639 24.481 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.611 38.916 24.526 1.00 0.00 H new ATOM 0 HG LEU A 50 44.159 39.987 26.876 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.321 41.717 26.874 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.233 41.725 25.346 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.633 40.949 25.423 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.103 39.709 28.198 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.344 38.870 26.825 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.760 38.155 27.631 1.00 0.00 H new ATOM 813 N GLU A 51 43.973 36.209 23.304 1.00 0.00 N ATOM 814 CA GLU A 51 44.390 35.516 22.101 1.00 0.00 C ATOM 815 C GLU A 51 43.895 36.189 20.820 1.00 0.00 C ATOM 816 O GLU A 51 42.736 36.588 20.723 1.00 0.00 O ATOM 817 CB GLU A 51 43.945 34.057 22.121 1.00 0.00 C ATOM 818 CG GLU A 51 44.749 33.211 23.104 1.00 0.00 C ATOM 819 CD GLU A 51 44.261 31.761 23.065 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.242 31.469 23.728 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.872 30.920 22.371 1.00 0.00 O ATOM 0 H GLU A 51 43.032 35.951 23.603 1.00 0.00 H new ATOM 0 HA GLU A 51 45.479 35.562 22.095 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.888 34.007 22.384 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.044 33.637 21.120 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.809 33.254 22.852 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.645 33.612 24.112 1.00 0.00 H new ATOM 828 N ASP A 52 44.767 36.255 19.817 1.00 0.00 N ATOM 829 CA ASP A 52 44.589 36.936 18.551 1.00 0.00 C ATOM 830 C ASP A 52 43.266 36.639 17.841 1.00 0.00 C ATOM 831 O ASP A 52 42.685 37.540 17.241 1.00 0.00 O ATOM 832 CB ASP A 52 45.748 36.572 17.626 1.00 0.00 C ATOM 833 CG ASP A 52 47.124 36.923 18.195 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.647 36.162 19.039 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.723 37.927 17.753 1.00 0.00 O ATOM 0 H ASP A 52 45.678 35.800 19.879 1.00 0.00 H new ATOM 0 HA ASP A 52 44.568 38.001 18.782 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.713 35.503 17.418 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.617 37.086 16.674 1.00 0.00 H new ATOM 840 N GLY A 53 42.785 35.400 17.889 1.00 0.00 N ATOM 841 CA GLY A 53 41.583 34.943 17.221 1.00 0.00 C ATOM 842 C GLY A 53 40.260 35.215 17.937 1.00 0.00 C ATOM 843 O GLY A 53 39.211 34.964 17.348 1.00 0.00 O ATOM 0 H GLY A 53 43.246 34.660 18.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.541 35.410 16.237 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.669 33.868 17.060 1.00 0.00 H new ATOM 847 N ARG A 54 40.262 35.699 19.176 1.00 0.00 N ATOM 848 CA ARG A 54 39.069 35.993 19.944 1.00 0.00 C ATOM 849 C ARG A 54 38.709 37.480 19.907 1.00 0.00 C ATOM 850 O ARG A 54 39.531 38.299 19.501 1.00 0.00 O ATOM 851 CB ARG A 54 39.204 35.471 21.372 1.00 0.00 C ATOM 852 CG ARG A 54 39.523 33.986 21.521 1.00 0.00 C ATOM 853 CD ARG A 54 38.761 33.039 20.599 1.00 0.00 C ATOM 854 NE ARG A 54 37.313 33.253 20.596 1.00 0.00 N ATOM 855 CZ ARG A 54 36.392 32.490 19.992 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.702 31.385 19.302 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.105 32.857 20.054 1.00 0.00 N ATOM 0 H ARG A 54 41.123 35.902 19.683 1.00 0.00 H new ATOM 0 HA ARG A 54 38.237 35.468 19.475 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.987 36.041 21.872 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.273 35.676 21.901 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.590 33.846 21.350 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.324 33.694 22.552 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.138 33.155 19.583 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.966 32.012 20.899 1.00 0.00 H new ATOM 0 HE ARG A 54 36.970 34.067 21.106 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.675 31.092 19.219 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.965 30.836 18.859 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.840 33.705 20.555 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.390 32.288 19.600 1.00 0.00 H new ATOM 871 N THR A 55 37.490 37.831 20.306 1.00 0.00 N ATOM 872 CA THR A 55 36.981 39.187 20.291 1.00 0.00 C ATOM 873 C THR A 55 37.007 39.892 21.649 1.00 0.00 C ATOM 874 O THR A 55 37.118 39.264 22.700 1.00 0.00 O ATOM 875 CB THR A 55 35.568 39.272 19.722 1.00 0.00 C ATOM 876 OG1 THR A 55 34.684 38.535 20.537 1.00 0.00 O ATOM 877 CG2 THR A 55 35.468 38.757 18.290 1.00 0.00 C ATOM 0 H THR A 55 36.813 37.154 20.658 1.00 0.00 H new ATOM 0 HA THR A 55 37.677 39.711 19.636 1.00 0.00 H new ATOM 0 HB THR A 55 35.298 40.328 19.708 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.878 39.066 20.709 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.438 38.844 17.943 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.119 39.347 17.645 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.775 37.712 18.257 1.00 0.00 H new ATOM 885 N LEU A 56 36.832 41.211 21.637 1.00 0.00 N ATOM 886 CA LEU A 56 36.582 41.986 22.835 1.00 0.00 C ATOM 887 C LEU A 56 35.341 41.493 23.583 1.00 0.00 C ATOM 888 O LEU A 56 35.365 41.416 24.809 1.00 0.00 O ATOM 889 CB LEU A 56 36.466 43.463 22.468 1.00 0.00 C ATOM 890 CG LEU A 56 37.740 44.089 21.908 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.458 45.517 21.448 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.860 44.142 22.943 1.00 0.00 C ATOM 0 H LEU A 56 36.861 41.771 20.785 1.00 0.00 H new ATOM 0 HA LEU A 56 37.423 41.856 23.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.669 43.578 21.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.165 44.020 23.355 1.00 0.00 H new ATOM 0 HG LEU A 56 38.060 43.462 21.075 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.372 45.958 21.049 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.692 45.505 20.672 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.108 46.109 22.294 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.746 44.595 22.498 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.538 44.737 23.797 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.097 43.131 23.274 1.00 0.00 H new ATOM 904 N SER A 57 34.293 41.083 22.874 1.00 0.00 N ATOM 905 CA SER A 57 33.111 40.472 23.448 1.00 0.00 C ATOM 906 C SER A 57 33.337 39.074 24.027 1.00 0.00 C ATOM 907 O SER A 57 32.743 38.766 25.058 1.00 0.00 O ATOM 908 CB SER A 57 31.976 40.455 22.428 1.00 0.00 C ATOM 909 OG SER A 57 32.295 39.672 21.299 1.00 0.00 O ATOM 0 H SER A 57 34.247 41.171 21.859 1.00 0.00 H new ATOM 0 HA SER A 57 32.839 41.096 24.299 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.073 40.065 22.897 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.756 41.475 22.112 1.00 0.00 H new ATOM 0 HG SER A 57 31.544 39.684 20.670 1.00 0.00 H new ATOM 915 N ASP A 58 34.228 38.255 23.475 1.00 0.00 N ATOM 916 CA ASP A 58 34.582 36.962 24.024 1.00 0.00 C ATOM 917 C ASP A 58 35.239 37.056 25.402 1.00 0.00 C ATOM 918 O ASP A 58 35.119 36.135 26.208 1.00 0.00 O ATOM 919 CB ASP A 58 35.522 36.213 23.084 1.00 0.00 C ATOM 920 CG ASP A 58 34.889 35.742 21.774 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.672 35.456 21.746 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.632 35.521 20.793 1.00 0.00 O ATOM 0 H ASP A 58 34.731 38.482 22.617 1.00 0.00 H new ATOM 0 HA ASP A 58 33.643 36.419 24.134 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.367 36.860 22.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.921 35.345 23.609 1.00 0.00 H new ATOM 927 N TYR A 59 35.881 38.185 25.688 1.00 0.00 N ATOM 928 CA TYR A 59 36.414 38.558 26.981 1.00 0.00 C ATOM 929 C TYR A 59 35.535 39.554 27.741 1.00 0.00 C ATOM 930 O TYR A 59 35.908 39.986 28.830 1.00 0.00 O ATOM 931 CB TYR A 59 37.849 39.047 26.806 1.00 0.00 C ATOM 932 CG TYR A 59 38.785 38.035 26.190 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.095 36.857 26.879 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.361 38.277 24.938 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.969 35.914 26.325 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.254 37.354 24.380 1.00 0.00 C ATOM 937 CZ TYR A 59 40.560 36.164 25.070 1.00 0.00 C ATOM 938 OH TYR A 59 41.437 35.271 24.530 1.00 0.00 O ATOM 0 H TYR A 59 36.049 38.899 24.980 1.00 0.00 H new ATOM 0 HA TYR A 59 36.417 37.672 27.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.841 39.942 26.184 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.241 39.340 27.780 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.655 36.673 27.848 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.116 39.180 24.399 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.189 35.000 26.856 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.708 37.554 23.421 1.00 0.00 H new ATOM 0 HH TYR A 59 41.175 35.073 23.607 1.00 0.00 H new ATOM 948 N ASN A 60 34.360 39.898 27.223 1.00 0.00 N ATOM 949 CA ASN A 60 33.392 40.823 27.778 1.00 0.00 C ATOM 950 C ASN A 60 33.943 42.192 28.183 1.00 0.00 C ATOM 951 O ASN A 60 33.624 42.722 29.245 1.00 0.00 O ATOM 952 CB ASN A 60 32.545 40.133 28.844 1.00 0.00 C ATOM 953 CG ASN A 60 31.217 40.857 29.073 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.763 41.662 28.263 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.517 40.588 30.172 1.00 0.00 N ATOM 0 H ASN A 60 34.041 39.505 26.338 1.00 0.00 H new ATOM 0 HA ASN A 60 32.726 41.099 26.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.350 39.104 28.543 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.102 40.092 29.780 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.620 41.047 30.330 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.877 39.923 30.856 1.00 0.00 H new ATOM 962 N ILE A 61 34.790 42.778 27.341 1.00 0.00 N ATOM 963 CA ILE A 61 35.421 44.062 27.568 1.00 0.00 C ATOM 964 C ILE A 61 34.490 45.183 27.099 1.00 0.00 C ATOM 965 O ILE A 61 34.248 45.332 25.904 1.00 0.00 O ATOM 966 CB ILE A 61 36.796 44.115 26.910 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.677 42.960 27.379 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.458 45.454 27.217 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.079 42.905 26.777 1.00 0.00 C ATOM 0 H ILE A 61 35.061 42.353 26.454 1.00 0.00 H new ATOM 0 HA ILE A 61 35.591 44.204 28.635 1.00 0.00 H new ATOM 0 HB ILE A 61 36.670 44.016 25.832 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.770 43.016 28.464 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.167 42.024 27.151 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.440 45.491 26.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.839 46.263 26.829 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.568 45.567 28.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.615 42.046 27.181 1.00 0.00 H new ATOM 0 HD12 ILE A 61 39.006 42.811 25.694 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.618 43.819 27.026 1.00 0.00 H new ATOM 981 N GLN A 62 33.944 45.962 28.029 1.00 0.00 N ATOM 982 CA GLN A 62 33.071 47.079 27.731 1.00 0.00 C ATOM 983 C GLN A 62 33.818 48.294 27.176 1.00 0.00 C ATOM 984 O GLN A 62 35.029 48.417 27.342 1.00 0.00 O ATOM 985 CB GLN A 62 32.295 47.469 28.986 1.00 0.00 C ATOM 986 CG GLN A 62 31.387 46.383 29.555 1.00 0.00 C ATOM 987 CD GLN A 62 30.560 46.856 30.753 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.352 48.043 30.991 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.033 45.947 31.568 1.00 0.00 N ATOM 0 H GLN A 62 34.103 45.827 29.027 1.00 0.00 H new ATOM 0 HA GLN A 62 32.386 46.752 26.949 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.007 47.764 29.756 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.688 48.346 28.760 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.714 46.034 28.772 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.996 45.530 29.856 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.190 44.954 31.394 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.472 46.243 32.367 1.00 0.00 H new ATOM 998 N LYS A 63 33.091 49.242 26.592 1.00 0.00 N ATOM 999 CA LYS A 63 33.559 50.572 26.257 1.00 0.00 C ATOM 1000 C LYS A 63 34.355 51.263 27.367 1.00 0.00 C ATOM 1001 O LYS A 63 34.130 51.013 28.549 1.00 0.00 O ATOM 1002 CB LYS A 63 32.395 51.444 25.795 1.00 0.00 C ATOM 1003 CG LYS A 63 31.453 52.020 26.849 1.00 0.00 C ATOM 1004 CD LYS A 63 30.845 50.984 27.788 1.00 0.00 C ATOM 1005 CE LYS A 63 29.752 51.574 28.675 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.373 50.615 29.723 1.00 0.00 N ATOM 0 H LYS A 63 32.117 49.092 26.330 1.00 0.00 H new ATOM 0 HA LYS A 63 34.267 50.440 25.439 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.810 52.279 25.230 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.795 50.856 25.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.998 52.754 27.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.647 52.553 26.345 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.430 50.165 27.201 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.630 50.561 28.415 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.104 52.500 29.130 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.881 51.826 28.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.438 50.215 29.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.076 49.849 29.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.337 51.101 30.642 1.00 0.00 H new ATOM 1020 N GLU A 64 35.296 52.125 26.993 1.00 0.00 N ATOM 1021 CA GLU A 64 36.147 52.903 27.870 1.00 0.00 C ATOM 1022 C GLU A 64 37.014 52.098 28.842 1.00 0.00 C ATOM 1023 O GLU A 64 37.632 52.662 29.740 1.00 0.00 O ATOM 1024 CB GLU A 64 35.366 54.024 28.549 1.00 0.00 C ATOM 1025 CG GLU A 64 34.699 54.990 27.573 1.00 0.00 C ATOM 1026 CD GLU A 64 33.942 56.086 28.327 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.716 55.946 28.531 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.568 57.079 28.753 1.00 0.00 O ATOM 0 H GLU A 64 35.492 52.306 26.008 1.00 0.00 H new ATOM 0 HA GLU A 64 36.887 53.358 27.212 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.602 53.585 29.190 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.041 54.584 29.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.453 55.440 26.927 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.011 54.445 26.927 1.00 0.00 H new ATOM 1035 N SER A 65 37.104 50.782 28.666 1.00 0.00 N ATOM 1036 CA SER A 65 38.050 49.925 29.352 1.00 0.00 C ATOM 1037 C SER A 65 39.486 50.160 28.879 1.00 0.00 C ATOM 1038 O SER A 65 39.713 50.549 27.736 1.00 0.00 O ATOM 1039 CB SER A 65 37.722 48.450 29.140 1.00 0.00 C ATOM 1040 OG SER A 65 36.412 48.134 29.555 1.00 0.00 O ATOM 0 H SER A 65 36.499 50.273 28.021 1.00 0.00 H new ATOM 0 HA SER A 65 37.969 50.179 30.409 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.838 48.201 28.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.435 47.837 29.692 1.00 0.00 H new ATOM 0 HG SER A 65 35.781 48.347 28.836 1.00 0.00 H new ATOM 1046 N THR A 66 40.453 49.857 29.741 1.00 0.00 N ATOM 1047 CA THR A 66 41.867 49.905 29.429 1.00 0.00 C ATOM 1048 C THR A 66 42.471 48.500 29.391 1.00 0.00 C ATOM 1049 O THR A 66 42.508 47.805 30.403 1.00 0.00 O ATOM 1050 CB THR A 66 42.620 50.815 30.396 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.066 52.111 30.365 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.093 50.970 30.030 1.00 0.00 C ATOM 0 H THR A 66 40.263 49.564 30.699 1.00 0.00 H new ATOM 0 HA THR A 66 41.973 50.335 28.433 1.00 0.00 H new ATOM 0 HB THR A 66 42.533 50.349 31.378 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.552 52.690 30.989 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.580 51.627 30.751 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.576 49.993 30.045 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.177 51.401 29.032 1.00 0.00 H new ATOM 1060 N LEU A 67 42.976 48.092 28.230 1.00 0.00 N ATOM 1061 CA LEU A 67 43.796 46.910 28.055 1.00 0.00 C ATOM 1062 C LEU A 67 45.245 47.244 28.412 1.00 0.00 C ATOM 1063 O LEU A 67 45.680 48.387 28.289 1.00 0.00 O ATOM 1064 CB LEU A 67 43.705 46.389 26.623 1.00 0.00 C ATOM 1065 CG LEU A 67 42.410 45.689 26.222 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.190 46.605 26.198 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.576 45.109 24.820 1.00 0.00 C ATOM 0 H LEU A 67 42.816 48.597 27.358 1.00 0.00 H new ATOM 0 HA LEU A 67 43.431 46.125 28.717 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.859 47.229 25.946 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.529 45.694 26.462 1.00 0.00 H new ATOM 0 HG LEU A 67 42.232 44.924 26.978 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.311 46.032 25.904 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.033 47.027 27.190 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.354 47.411 25.483 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.656 44.606 24.523 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.793 45.913 24.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.398 44.393 24.817 1.00 0.00 H new ATOM 1079 N HIS A 68 46.027 46.245 28.814 1.00 0.00 N ATOM 1080 CA HIS A 68 47.444 46.375 29.085 1.00 0.00 C ATOM 1081 C HIS A 68 48.255 45.703 27.976 1.00 0.00 C ATOM 1082 O HIS A 68 47.882 44.633 27.499 1.00 0.00 O ATOM 1083 CB HIS A 68 47.755 45.838 30.479 1.00 0.00 C ATOM 1084 CG HIS A 68 46.964 46.460 31.596 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.702 45.853 32.824 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.364 47.693 31.591 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.957 46.714 33.522 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.725 47.828 32.808 1.00 0.00 N ATOM 0 H HIS A 68 45.676 45.299 28.962 1.00 0.00 H new ATOM 0 HA HIS A 68 47.735 47.425 29.083 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.577 44.763 30.485 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.816 45.987 30.680 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.387 48.418 30.791 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.591 46.539 34.523 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.174 48.631 33.111 1.00 0.00 H new ATOM 1096 N LEU A 69 49.345 46.327 27.539 1.00 0.00 N ATOM 1097 CA LEU A 69 50.172 45.888 26.433 1.00 0.00 C ATOM 1098 C LEU A 69 51.586 45.568 26.923 1.00 0.00 C ATOM 1099 O LEU A 69 52.203 46.398 27.587 1.00 0.00 O ATOM 1100 CB LEU A 69 50.162 46.979 25.367 1.00 0.00 C ATOM 1101 CG LEU A 69 51.132 46.798 24.204 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.839 45.564 23.354 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.056 48.013 23.283 1.00 0.00 C ATOM 0 H LEU A 69 49.685 47.188 27.968 1.00 0.00 H new ATOM 0 HA LEU A 69 49.779 44.970 25.997 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.153 47.052 24.962 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.381 47.931 25.850 1.00 0.00 H new ATOM 0 HG LEU A 69 52.119 46.678 24.651 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.567 45.498 22.546 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.904 44.671 23.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.836 45.642 22.934 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.749 47.884 22.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.042 48.114 22.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.323 48.910 23.842 1.00 0.00 H new ATOM 1115 N VAL A 70 52.113 44.410 26.538 1.00 0.00 N ATOM 1116 CA VAL A 70 53.473 43.987 26.807 1.00 0.00 C ATOM 1117 C VAL A 70 54.169 43.624 25.492 1.00 0.00 C ATOM 1118 O VAL A 70 53.589 42.964 24.633 1.00 0.00 O ATOM 1119 CB VAL A 70 53.530 42.832 27.802 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.964 42.559 28.250 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.690 43.094 29.050 1.00 0.00 C ATOM 0 H VAL A 70 51.580 43.718 26.011 1.00 0.00 H new ATOM 0 HA VAL A 70 54.002 44.819 27.272 1.00 0.00 H new ATOM 0 HB VAL A 70 53.125 41.969 27.274 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.972 41.731 28.959 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.573 42.301 27.384 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.372 43.450 28.728 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.765 42.241 29.725 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.056 43.989 29.553 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.648 43.239 28.764 1.00 0.00 H new ATOM 1131 N LEU A 71 55.412 44.067 25.334 1.00 0.00 N ATOM 1132 CA LEU A 71 56.226 43.802 24.165 1.00 0.00 C ATOM 1133 C LEU A 71 57.025 42.505 24.297 1.00 0.00 C ATOM 1134 O LEU A 71 57.467 42.125 25.379 1.00 0.00 O ATOM 1135 CB LEU A 71 57.120 45.001 23.861 1.00 0.00 C ATOM 1136 CG LEU A 71 56.384 46.318 23.626 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.389 47.417 23.292 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.368 46.245 22.490 1.00 0.00 C ATOM 0 H LEU A 71 55.888 44.634 26.036 1.00 0.00 H new ATOM 0 HA LEU A 71 55.558 43.655 23.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.815 45.135 24.690 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.717 44.774 22.978 1.00 0.00 H new ATOM 0 HG LEU A 71 55.844 46.535 24.548 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.860 48.355 23.125 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.087 47.536 24.121 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.939 47.145 22.391 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.880 47.213 22.375 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.877 45.983 21.563 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.619 45.487 22.719 1.00 0.00 H new ATOM 1150 N ARG A 72 57.214 41.816 23.174 1.00 0.00 N ATOM 1151 CA ARG A 72 58.006 40.607 23.065 1.00 0.00 C ATOM 1152 C ARG A 72 59.491 40.928 22.886 1.00 0.00 C ATOM 1153 O ARG A 72 59.842 41.800 22.094 1.00 0.00 O ATOM 1154 CB ARG A 72 57.463 39.742 21.931 1.00 0.00 C ATOM 1155 CG ARG A 72 56.147 39.063 22.297 1.00 0.00 C ATOM 1156 CD ARG A 72 55.470 38.537 21.034 1.00 0.00 C ATOM 1157 NE ARG A 72 54.451 37.523 21.309 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.843 36.765 20.387 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.014 36.928 19.068 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.026 35.777 20.778 1.00 0.00 N ATOM 0 H ARG A 72 56.802 42.100 22.285 1.00 0.00 H new ATOM 0 HA ARG A 72 57.925 40.042 23.994 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.316 40.360 21.045 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.201 38.983 21.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.331 38.243 22.991 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.491 39.770 22.805 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.011 39.370 20.501 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.226 38.114 20.373 1.00 0.00 H new ATOM 0 HE ARG A 72 54.182 37.382 22.283 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.634 37.660 18.721 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.524 36.320 18.411 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.871 35.607 21.772 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.559 35.196 20.082 1.00 0.00 H new ATOM 1174 N LEU A 73 60.344 40.220 23.620 1.00 0.00 N ATOM 1175 CA LEU A 73 61.788 40.353 23.614 1.00 0.00 C ATOM 1176 C LEU A 73 62.433 38.977 23.437 1.00 0.00 C ATOM 1177 O LEU A 73 61.912 38.161 22.680 1.00 0.00 O ATOM 1178 CB LEU A 73 62.225 41.108 24.866 1.00 0.00 C ATOM 1179 CG LEU A 73 61.737 42.548 25.004 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.170 43.107 26.356 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.320 43.461 23.930 1.00 0.00 C ATOM 0 H LEU A 73 60.024 39.501 24.268 1.00 0.00 H new ATOM 0 HA LEU A 73 62.132 40.946 22.767 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.884 40.548 25.737 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.315 41.114 24.897 1.00 0.00 H new ATOM 0 HG LEU A 73 60.652 42.524 24.903 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.821 44.135 26.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.741 42.501 27.154 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.257 43.085 26.428 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.943 44.474 24.070 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.407 43.464 24.006 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.026 43.098 22.945 1.00 0.00 H new ATOM 1193 N ARG A 74 63.560 38.698 24.085 1.00 0.00 N ATOM 1194 CA ARG A 74 64.339 37.479 23.998 1.00 0.00 C ATOM 1195 C ARG A 74 64.783 37.107 22.582 1.00 0.00 C ATOM 1196 O ARG A 74 65.005 35.934 22.288 1.00 0.00 O ATOM 1197 CB ARG A 74 63.637 36.344 24.739 1.00 0.00 C ATOM 1198 CG ARG A 74 63.341 36.651 26.204 1.00 0.00 C ATOM 1199 CD ARG A 74 62.575 35.493 26.836 1.00 0.00 C ATOM 1200 NE ARG A 74 62.314 35.713 28.259 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.339 35.139 28.977 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.485 34.251 28.452 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.167 35.413 30.277 1.00 0.00 N ATOM 0 H ARG A 74 63.978 39.369 24.729 1.00 0.00 H new ATOM 0 HA ARG A 74 65.284 37.673 24.506 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.701 36.115 24.230 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.257 35.449 24.684 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.273 36.819 26.744 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.758 37.569 26.281 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.629 35.357 26.312 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.144 34.572 26.711 1.00 0.00 H new ATOM 0 HE ARG A 74 62.930 36.362 28.749 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.563 33.988 27.470 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.757 33.838 29.035 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.787 36.074 30.745 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.416 34.961 30.798 1.00 0.00 H new ATOM 1217 N GLY A 75 64.892 38.086 21.689 1.00 0.00 N ATOM 1218 CA GLY A 75 65.159 37.914 20.275 1.00 0.00 C ATOM 1219 C GLY A 75 64.061 37.194 19.491 1.00 0.00 C ATOM 1220 O GLY A 75 64.342 36.674 18.413 1.00 0.00 O ATOM 0 H GLY A 75 64.791 39.067 21.950 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.318 38.896 19.829 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.089 37.358 20.162 1.00 0.00 H new ATOM 1224 N GLY A 76 62.857 37.107 20.050 1.00 0.00 N ATOM 1225 CA GLY A 76 61.751 36.291 19.591 1.00 0.00 C ATOM 1226 C GLY A 76 61.089 36.759 18.293 1.00 0.00 C ATOM 1227 O GLY A 76 60.739 35.885 17.471 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.870 37.978 18.122 1.00 0.00 O ATOM 0 H GLY A 76 62.619 37.640 20.887 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.107 35.271 19.451 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.994 36.259 20.375 1.00 0.00 H new TER 1232 GLY A 76