USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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 60 ASN : amide:sc= 0.789 K(o=1.7,f=-0.83) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.922 K(o=1.7,f=-0.5) USER MOD Set 2.1: A 55 THR OG1 : rot 127:sc= 1.07 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.89 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.2 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.739 K(o=0.94,f=-5.6!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0375) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.18 (180deg=0.999) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00258) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.19) USER MOD Single : A 12 THR OG1 : rot -170:sc= -0.907 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 1.85 (180deg=1.7) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 2.47 (180deg=2.3) USER MOD Single : A 31 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.87) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= 1.25 K(o=1.2,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0281 (180deg=-0.189) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 59 TYR OH : rot -62:sc= 0.703 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.023 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.664 52.254 20.116 1.00 0.00 N ATOM 2 CA MET A 1 33.171 52.619 21.448 1.00 0.00 C ATOM 3 C MET A 1 34.660 52.969 21.401 1.00 0.00 C ATOM 4 O MET A 1 35.373 52.525 20.504 1.00 0.00 O ATOM 5 CB MET A 1 32.913 51.540 22.497 1.00 0.00 C ATOM 6 CG MET A 1 33.601 50.208 22.212 1.00 0.00 C ATOM 7 SD MET A 1 32.984 48.810 23.183 1.00 0.00 S ATOM 8 CE MET A 1 34.218 47.544 22.792 1.00 0.00 C ATOM 0 H1 MET A 1 31.726 51.815 20.210 1.00 0.00 H new ATOM 0 H2 MET A 1 32.589 53.108 19.527 1.00 0.00 H new ATOM 0 H3 MET A 1 33.318 51.581 19.668 1.00 0.00 H new ATOM 0 HA MET A 1 32.611 53.504 21.751 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.246 51.907 23.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.839 51.372 22.571 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.486 49.975 21.153 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.669 50.319 22.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.898 46.586 23.201 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.323 47.460 21.710 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.177 47.823 23.229 1.00 0.00 H new ATOM 20 N GLN A 2 35.135 53.686 22.416 1.00 0.00 N ATOM 21 CA GLN A 2 36.541 53.877 22.702 1.00 0.00 C ATOM 22 C GLN A 2 37.018 52.871 23.752 1.00 0.00 C ATOM 23 O GLN A 2 36.275 52.561 24.680 1.00 0.00 O ATOM 24 CB GLN A 2 36.792 55.312 23.160 1.00 0.00 C ATOM 25 CG GLN A 2 36.470 56.353 22.091 1.00 0.00 C ATOM 26 CD GLN A 2 36.682 57.778 22.603 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.957 58.271 23.465 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.661 58.517 22.090 1.00 0.00 N ATOM 0 H GLN A 2 34.525 54.163 23.080 1.00 0.00 H new ATOM 0 HA GLN A 2 37.113 53.703 21.791 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.190 55.514 24.046 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.837 55.415 23.454 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.099 56.183 21.217 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.436 56.233 21.767 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.273 58.126 21.374 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.800 59.475 22.413 1.00 0.00 H new ATOM 37 N ILE A 3 38.258 52.404 23.635 1.00 0.00 N ATOM 38 CA ILE A 3 38.970 51.682 24.670 1.00 0.00 C ATOM 39 C ILE A 3 40.394 52.221 24.827 1.00 0.00 C ATOM 40 O ILE A 3 40.954 52.775 23.885 1.00 0.00 O ATOM 41 CB ILE A 3 38.972 50.170 24.460 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.692 49.748 23.182 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.555 49.612 24.545 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.919 48.245 23.052 1.00 0.00 C ATOM 0 H ILE A 3 38.809 52.525 22.785 1.00 0.00 H new ATOM 0 HA ILE A 3 38.425 51.855 25.598 1.00 0.00 H new ATOM 0 HB ILE A 3 39.551 49.731 25.273 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.114 50.091 22.324 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.657 50.254 23.139 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.579 48.533 24.393 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.136 49.830 25.527 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.936 50.073 23.776 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.436 48.035 22.116 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.525 47.895 23.888 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.958 47.730 23.060 1.00 0.00 H new ATOM 56 N PHE A 4 40.984 52.032 26.004 1.00 0.00 N ATOM 57 CA PHE A 4 42.277 52.577 26.367 1.00 0.00 C ATOM 58 C PHE A 4 43.310 51.466 26.573 1.00 0.00 C ATOM 59 O PHE A 4 43.112 50.573 27.394 1.00 0.00 O ATOM 60 CB PHE A 4 42.130 53.431 27.622 1.00 0.00 C ATOM 61 CG PHE A 4 40.999 54.432 27.578 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.074 55.542 26.730 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.862 54.240 28.372 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.022 56.465 26.686 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.806 55.157 28.328 1.00 0.00 C ATOM 66 CZ PHE A 4 38.888 56.274 27.487 1.00 0.00 C ATOM 0 H PHE A 4 40.559 51.479 26.748 1.00 0.00 H new ATOM 0 HA PHE A 4 42.639 53.202 25.551 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.980 52.772 28.477 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.064 53.966 27.792 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.945 55.687 26.108 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.800 53.380 29.022 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.084 57.324 26.035 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.930 55.004 28.941 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.078 56.988 27.456 1.00 0.00 H new ATOM 76 N VAL A 5 44.430 51.522 25.859 1.00 0.00 N ATOM 77 CA VAL A 5 45.544 50.609 26.017 1.00 0.00 C ATOM 78 C VAL A 5 46.704 51.331 26.706 1.00 0.00 C ATOM 79 O VAL A 5 47.219 52.316 26.182 1.00 0.00 O ATOM 80 CB VAL A 5 45.953 49.997 24.680 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.108 49.014 24.853 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.798 49.238 24.034 1.00 0.00 C ATOM 0 H VAL A 5 44.587 52.225 25.136 1.00 0.00 H new ATOM 0 HA VAL A 5 45.239 49.777 26.652 1.00 0.00 H new ATOM 0 HB VAL A 5 46.255 50.829 24.044 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.377 48.594 23.884 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.968 49.534 25.275 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.805 48.211 25.524 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.126 48.816 23.084 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.475 48.434 24.696 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.966 49.921 23.860 1.00 0.00 H new ATOM 92 N LYS A 6 47.115 50.842 27.872 1.00 0.00 N ATOM 93 CA LYS A 6 48.213 51.362 28.661 1.00 0.00 C ATOM 94 C LYS A 6 49.514 50.614 28.359 1.00 0.00 C ATOM 95 O LYS A 6 49.594 49.405 28.566 1.00 0.00 O ATOM 96 CB LYS A 6 47.872 51.287 30.146 1.00 0.00 C ATOM 97 CG LYS A 6 46.752 52.221 30.595 1.00 0.00 C ATOM 98 CD LYS A 6 47.142 53.696 30.560 1.00 0.00 C ATOM 99 CE LYS A 6 46.005 54.615 31.000 1.00 0.00 C ATOM 100 NZ LYS A 6 45.684 54.497 32.430 1.00 0.00 N ATOM 0 H LYS A 6 46.667 50.036 28.307 1.00 0.00 H new ATOM 0 HA LYS A 6 48.366 52.407 28.391 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.590 50.262 30.388 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.769 51.515 30.722 1.00 0.00 H new ATOM 0 HG2 LYS A 6 45.883 52.067 29.956 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.453 51.956 31.609 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.004 53.855 31.208 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.449 53.963 29.549 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.275 55.648 30.779 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.115 54.386 30.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.917 55.157 32.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.381 53.524 32.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.527 54.726 32.995 1.00 0.00 H new ATOM 168 N LYS A 11 52.021 55.341 28.543 1.00 0.00 N ATOM 169 CA LYS A 11 51.316 55.974 27.446 1.00 0.00 C ATOM 170 C LYS A 11 49.904 55.400 27.311 1.00 0.00 C ATOM 171 O LYS A 11 49.729 54.186 27.389 1.00 0.00 O ATOM 172 CB LYS A 11 52.133 55.816 26.168 1.00 0.00 C ATOM 173 CG LYS A 11 51.563 56.609 24.995 1.00 0.00 C ATOM 174 CD LYS A 11 52.425 56.453 23.745 1.00 0.00 C ATOM 175 CE LYS A 11 51.971 57.456 22.688 1.00 0.00 C ATOM 176 NZ LYS A 11 52.941 57.579 21.588 1.00 0.00 N ATOM 0 HA LYS A 11 51.200 57.040 27.643 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.157 56.140 26.355 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.177 54.761 25.899 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.549 56.270 24.784 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.498 57.663 25.264 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.474 56.617 23.991 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.343 55.437 23.358 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.006 57.147 22.287 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.825 58.431 23.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.626 58.319 20.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.873 57.833 21.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.011 56.672 21.084 1.00 0.00 H new ATOM 190 N THR A 12 48.921 56.260 27.066 1.00 0.00 N ATOM 191 CA THR A 12 47.537 55.888 26.850 1.00 0.00 C ATOM 192 C THR A 12 47.205 55.948 25.358 1.00 0.00 C ATOM 193 O THR A 12 47.071 57.026 24.785 1.00 0.00 O ATOM 194 CB THR A 12 46.588 56.783 27.642 1.00 0.00 C ATOM 195 OG1 THR A 12 46.977 56.825 28.997 1.00 0.00 O ATOM 196 CG2 THR A 12 45.153 56.263 27.612 1.00 0.00 C ATOM 0 H THR A 12 49.076 57.267 27.012 1.00 0.00 H new ATOM 0 HA THR A 12 47.403 54.867 27.206 1.00 0.00 H new ATOM 0 HB THR A 12 46.634 57.768 27.178 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.280 57.268 29.524 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.512 56.930 28.188 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.802 56.223 26.581 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.119 55.264 28.046 1.00 0.00 H new ATOM 204 N ILE A 13 47.071 54.786 24.723 1.00 0.00 N ATOM 205 CA ILE A 13 46.720 54.641 23.325 1.00 0.00 C ATOM 206 C ILE A 13 45.212 54.405 23.229 1.00 0.00 C ATOM 207 O ILE A 13 44.709 53.408 23.742 1.00 0.00 O ATOM 208 CB ILE A 13 47.542 53.536 22.667 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.040 53.752 22.863 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.206 53.457 21.181 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.915 52.620 22.333 1.00 0.00 C ATOM 0 H ILE A 13 47.210 53.891 25.191 1.00 0.00 H new ATOM 0 HA ILE A 13 46.960 55.551 22.774 1.00 0.00 H new ATOM 0 HB ILE A 13 47.284 52.592 23.148 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.329 54.680 22.369 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.240 53.882 23.927 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.796 52.667 20.716 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.145 53.238 21.059 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.437 54.410 20.705 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.964 52.856 22.513 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.658 51.692 22.844 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.749 52.502 21.262 1.00 0.00 H new ATOM 223 N THR A 14 44.485 55.317 22.589 1.00 0.00 N ATOM 224 CA THR A 14 43.036 55.307 22.540 1.00 0.00 C ATOM 225 C THR A 14 42.557 54.756 21.196 1.00 0.00 C ATOM 226 O THR A 14 42.856 55.332 20.152 1.00 0.00 O ATOM 227 CB THR A 14 42.465 56.697 22.812 1.00 0.00 C ATOM 228 OG1 THR A 14 42.920 57.137 24.071 1.00 0.00 O ATOM 229 CG2 THR A 14 40.940 56.716 22.859 1.00 0.00 C ATOM 0 H THR A 14 44.901 56.098 22.081 1.00 0.00 H new ATOM 0 HA THR A 14 42.667 54.650 23.327 1.00 0.00 H new ATOM 0 HB THR A 14 42.796 57.338 21.995 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.560 58.030 24.255 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.595 57.731 23.056 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.542 56.376 21.903 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.592 56.054 23.652 1.00 0.00 H new ATOM 237 N LEU A 15 41.833 53.641 21.222 1.00 0.00 N ATOM 238 CA LEU A 15 41.411 52.915 20.041 1.00 0.00 C ATOM 239 C LEU A 15 39.909 53.056 19.793 1.00 0.00 C ATOM 240 O LEU A 15 39.114 52.972 20.727 1.00 0.00 O ATOM 241 CB LEU A 15 41.823 51.449 20.152 1.00 0.00 C ATOM 242 CG LEU A 15 43.300 51.186 20.428 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.554 49.681 20.417 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.232 51.823 19.400 1.00 0.00 C ATOM 0 H LEU A 15 41.518 53.211 22.091 1.00 0.00 H new ATOM 0 HA LEU A 15 41.913 53.352 19.177 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.238 50.987 20.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.552 50.945 19.224 1.00 0.00 H new ATOM 0 HG LEU A 15 43.516 51.633 21.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.609 49.489 20.614 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.948 49.204 21.187 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.287 49.274 19.442 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.267 51.596 19.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.008 51.425 18.410 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.087 52.903 19.398 1.00 0.00 H new ATOM 256 N GLU A 16 39.529 53.207 18.528 1.00 0.00 N ATOM 257 CA GLU A 16 38.155 53.186 18.070 1.00 0.00 C ATOM 258 C GLU A 16 37.796 51.750 17.682 1.00 0.00 C ATOM 259 O GLU A 16 38.361 51.193 16.742 1.00 0.00 O ATOM 260 CB GLU A 16 37.959 54.148 16.902 1.00 0.00 C ATOM 261 CG GLU A 16 38.232 55.614 17.231 1.00 0.00 C ATOM 262 CD GLU A 16 38.073 56.492 15.988 1.00 0.00 C ATOM 263 OE1 GLU A 16 38.912 56.411 15.066 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.076 57.238 15.877 1.00 0.00 O ATOM 0 H GLU A 16 40.198 53.352 17.771 1.00 0.00 H new ATOM 0 HA GLU A 16 37.491 53.519 18.867 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.614 53.845 16.085 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.935 54.055 16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.546 55.950 18.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.241 55.720 17.629 1.00 0.00 H new ATOM 271 N VAL A 17 36.892 51.120 18.427 1.00 0.00 N ATOM 272 CA VAL A 17 36.524 49.726 18.288 1.00 0.00 C ATOM 273 C VAL A 17 35.010 49.526 18.383 1.00 0.00 C ATOM 274 O VAL A 17 34.262 50.444 18.710 1.00 0.00 O ATOM 275 CB VAL A 17 37.251 48.848 19.302 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.769 48.898 19.161 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.876 49.201 20.739 1.00 0.00 C ATOM 0 H VAL A 17 36.379 51.591 19.172 1.00 0.00 H new ATOM 0 HA VAL A 17 36.838 49.416 17.291 1.00 0.00 H new ATOM 0 HB VAL A 17 36.921 47.833 19.079 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.226 48.252 19.911 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.053 48.556 18.166 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.114 49.922 19.305 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.417 48.551 21.426 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.139 50.240 20.939 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.804 49.065 20.879 1.00 0.00 H new ATOM 287 N GLU A 18 34.541 48.312 18.107 1.00 0.00 N ATOM 288 CA GLU A 18 33.247 47.786 18.494 1.00 0.00 C ATOM 289 C GLU A 18 33.461 46.434 19.179 1.00 0.00 C ATOM 290 O GLU A 18 34.544 45.868 19.045 1.00 0.00 O ATOM 291 CB GLU A 18 32.357 47.647 17.262 1.00 0.00 C ATOM 292 CG GLU A 18 31.863 48.964 16.668 1.00 0.00 C ATOM 293 CD GLU A 18 30.989 49.768 17.631 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.079 49.193 18.267 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.217 50.987 17.790 1.00 0.00 O ATOM 0 H GLU A 18 35.090 47.635 17.577 1.00 0.00 H new ATOM 0 HA GLU A 18 32.749 48.463 19.188 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.908 47.104 16.494 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.492 47.038 17.525 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.722 49.568 16.376 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.296 48.756 15.760 1.00 0.00 H new ATOM 302 N PRO A 19 32.496 45.861 19.892 1.00 0.00 N ATOM 303 CA PRO A 19 32.649 44.550 20.490 1.00 0.00 C ATOM 304 C PRO A 19 33.011 43.441 19.500 1.00 0.00 C ATOM 305 O PRO A 19 33.645 42.460 19.881 1.00 0.00 O ATOM 306 CB PRO A 19 31.337 44.266 21.214 1.00 0.00 C ATOM 307 CG PRO A 19 30.816 45.663 21.538 1.00 0.00 C ATOM 308 CD PRO A 19 31.256 46.474 20.323 1.00 0.00 C ATOM 0 HA PRO A 19 33.499 44.557 21.172 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.641 43.711 20.585 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.493 43.674 22.116 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.733 45.673 21.661 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.245 46.051 22.461 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.505 46.442 19.534 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.403 47.523 20.581 1.00 0.00 H new ATOM 316 N SER A 20 32.660 43.615 18.229 1.00 0.00 N ATOM 317 CA SER A 20 33.045 42.774 17.113 1.00 0.00 C ATOM 318 C SER A 20 34.518 42.829 16.707 1.00 0.00 C ATOM 319 O SER A 20 34.940 41.991 15.912 1.00 0.00 O ATOM 320 CB SER A 20 32.165 43.087 15.906 1.00 0.00 C ATOM 321 OG SER A 20 32.089 44.472 15.658 1.00 0.00 O ATOM 0 H SER A 20 32.066 44.392 17.940 1.00 0.00 H new ATOM 0 HA SER A 20 32.895 41.755 17.469 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.562 42.582 15.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.163 42.693 16.075 1.00 0.00 H new ATOM 0 HG SER A 20 31.519 44.634 14.877 1.00 0.00 H new ATOM 327 N ASP A 21 35.319 43.771 17.198 1.00 0.00 N ATOM 328 CA ASP A 21 36.731 43.827 16.881 1.00 0.00 C ATOM 329 C ASP A 21 37.462 42.601 17.434 1.00 0.00 C ATOM 330 O ASP A 21 37.290 42.200 18.583 1.00 0.00 O ATOM 331 CB ASP A 21 37.394 45.117 17.356 1.00 0.00 C ATOM 332 CG ASP A 21 37.238 46.274 16.366 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.135 46.849 16.249 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.229 46.638 15.698 1.00 0.00 O ATOM 0 H ASP A 21 35.003 44.512 17.824 1.00 0.00 H new ATOM 0 HA ASP A 21 36.808 43.820 15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.964 45.407 18.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.455 44.932 17.525 1.00 0.00 H new ATOM 339 N THR A 22 38.314 42.009 16.602 1.00 0.00 N ATOM 340 CA THR A 22 39.192 40.929 17.003 1.00 0.00 C ATOM 341 C THR A 22 40.409 41.444 17.773 1.00 0.00 C ATOM 342 O THR A 22 40.816 42.593 17.616 1.00 0.00 O ATOM 343 CB THR A 22 39.616 40.038 15.839 1.00 0.00 C ATOM 344 OG1 THR A 22 40.268 40.768 14.824 1.00 0.00 O ATOM 345 CG2 THR A 22 38.429 39.320 15.203 1.00 0.00 C ATOM 0 H THR A 22 38.411 42.273 15.621 1.00 0.00 H new ATOM 0 HA THR A 22 38.605 40.303 17.676 1.00 0.00 H new ATOM 0 HB THR A 22 40.301 39.309 16.271 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.525 40.162 14.098 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.779 38.698 14.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.940 38.693 15.949 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.719 40.055 14.826 1.00 0.00 H new ATOM 353 N ILE A 23 41.065 40.581 18.544 1.00 0.00 N ATOM 354 CA ILE A 23 42.346 40.890 19.146 1.00 0.00 C ATOM 355 C ILE A 23 43.385 41.186 18.064 1.00 0.00 C ATOM 356 O ILE A 23 44.215 42.078 18.235 1.00 0.00 O ATOM 357 CB ILE A 23 42.761 39.766 20.093 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.739 39.498 21.194 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.130 40.032 20.714 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.263 40.711 21.987 1.00 0.00 C ATOM 0 H ILE A 23 40.718 39.648 18.766 1.00 0.00 H new ATOM 0 HA ILE A 23 42.266 41.795 19.748 1.00 0.00 H new ATOM 0 HB ILE A 23 42.816 38.871 19.474 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.868 39.021 20.743 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.170 38.781 21.893 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.392 39.211 21.382 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.878 40.111 19.925 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.098 40.964 21.279 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.540 40.394 22.739 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.115 41.182 22.478 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.793 41.426 21.311 1.00 0.00 H new ATOM 372 N GLU A 24 43.279 40.560 16.896 1.00 0.00 N ATOM 373 CA GLU A 24 44.042 40.916 15.718 1.00 0.00 C ATOM 374 C GLU A 24 43.756 42.323 15.188 1.00 0.00 C ATOM 375 O GLU A 24 44.706 43.010 14.817 1.00 0.00 O ATOM 376 CB GLU A 24 43.799 39.879 14.625 1.00 0.00 C ATOM 377 CG GLU A 24 44.663 38.633 14.790 1.00 0.00 C ATOM 378 CD GLU A 24 46.065 38.857 14.221 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.413 38.216 13.205 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.834 39.684 14.757 1.00 0.00 O ATOM 0 H GLU A 24 42.645 39.775 16.745 1.00 0.00 H new ATOM 0 HA GLU A 24 45.090 40.923 16.017 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.748 39.590 14.632 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.000 40.329 13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.733 38.372 15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.192 37.790 14.284 1.00 0.00 H new ATOM 387 N ASN A 25 42.513 42.794 15.204 1.00 0.00 N ATOM 388 CA ASN A 25 42.198 44.169 14.876 1.00 0.00 C ATOM 389 C ASN A 25 42.822 45.147 15.873 1.00 0.00 C ATOM 390 O ASN A 25 43.438 46.132 15.469 1.00 0.00 O ATOM 391 CB ASN A 25 40.694 44.410 14.800 1.00 0.00 C ATOM 392 CG ASN A 25 39.949 43.634 13.711 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.918 43.018 13.968 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.421 43.618 12.469 1.00 0.00 N ATOM 0 H ASN A 25 41.699 42.228 15.446 1.00 0.00 H new ATOM 0 HA ASN A 25 42.627 44.350 13.890 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.255 44.156 15.765 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.523 45.475 14.642 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.928 43.098 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.276 44.125 12.242 1.00 0.00 H new ATOM 401 N VAL A 26 42.735 44.861 17.170 1.00 0.00 N ATOM 402 CA VAL A 26 43.364 45.657 18.204 1.00 0.00 C ATOM 403 C VAL A 26 44.877 45.725 17.995 1.00 0.00 C ATOM 404 O VAL A 26 45.440 46.817 18.010 1.00 0.00 O ATOM 405 CB VAL A 26 42.999 45.136 19.592 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.721 45.887 20.707 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.503 45.273 19.862 1.00 0.00 C ATOM 0 H VAL A 26 42.218 44.059 17.530 1.00 0.00 H new ATOM 0 HA VAL A 26 42.983 46.676 18.133 1.00 0.00 H new ATOM 0 HB VAL A 26 43.303 44.089 19.594 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.426 45.477 21.673 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.798 45.778 20.581 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.456 46.943 20.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.277 44.893 20.858 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.217 46.323 19.800 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.946 44.701 19.120 1.00 0.00 H new ATOM 417 N LYS A 27 45.535 44.607 17.703 1.00 0.00 N ATOM 418 CA LYS A 27 46.950 44.587 17.392 1.00 0.00 C ATOM 419 C LYS A 27 47.301 45.352 16.115 1.00 0.00 C ATOM 420 O LYS A 27 48.317 46.042 16.088 1.00 0.00 O ATOM 421 CB LYS A 27 47.468 43.155 17.304 1.00 0.00 C ATOM 422 CG LYS A 27 47.593 42.451 18.651 1.00 0.00 C ATOM 423 CD LYS A 27 48.296 41.110 18.462 1.00 0.00 C ATOM 424 CE LYS A 27 48.728 40.484 19.784 1.00 0.00 C ATOM 425 NZ LYS A 27 49.586 39.316 19.530 1.00 0.00 N ATOM 0 H LYS A 27 45.094 43.688 17.677 1.00 0.00 H new ATOM 0 HA LYS A 27 47.445 45.103 18.215 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.799 42.577 16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.444 43.163 16.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.155 43.073 19.348 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.605 42.298 19.086 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.629 40.424 17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.171 41.249 17.827 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.266 41.217 20.385 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.851 40.184 20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.179 39.132 20.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.992 38.484 19.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.195 39.505 18.708 1.00 0.00 H new ATOM 439 N ALA A 28 46.479 45.274 15.071 1.00 0.00 N ATOM 440 CA ALA A 28 46.682 46.005 13.837 1.00 0.00 C ATOM 441 C ALA A 28 46.553 47.517 14.035 1.00 0.00 C ATOM 442 O ALA A 28 47.362 48.279 13.510 1.00 0.00 O ATOM 443 CB ALA A 28 45.687 45.505 12.793 1.00 0.00 C ATOM 0 H ALA A 28 45.642 44.690 15.065 1.00 0.00 H new ATOM 0 HA ALA A 28 47.700 45.824 13.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.833 46.050 11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.846 44.441 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.671 45.666 13.152 1.00 0.00 H new ATOM 449 N LYS A 29 45.607 47.959 14.858 1.00 0.00 N ATOM 450 CA LYS A 29 45.447 49.345 15.245 1.00 0.00 C ATOM 451 C LYS A 29 46.631 49.844 16.076 1.00 0.00 C ATOM 452 O LYS A 29 47.087 50.965 15.858 1.00 0.00 O ATOM 453 CB LYS A 29 44.112 49.532 15.961 1.00 0.00 C ATOM 454 CG LYS A 29 42.947 49.404 14.984 1.00 0.00 C ATOM 455 CD LYS A 29 41.584 49.298 15.660 1.00 0.00 C ATOM 456 CE LYS A 29 40.526 49.308 14.559 1.00 0.00 C ATOM 457 NZ LYS A 29 39.161 49.138 15.080 1.00 0.00 N ATOM 0 H LYS A 29 44.915 47.341 15.282 1.00 0.00 H new ATOM 0 HA LYS A 29 45.435 49.960 14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.012 48.789 16.752 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.085 50.511 16.439 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.946 50.268 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.103 48.523 14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.517 48.383 16.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.431 50.130 16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.587 50.249 14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.741 48.511 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.479 49.220 14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.072 48.200 15.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.966 49.873 15.789 1.00 0.00 H new ATOM 471 N ILE A 30 47.205 49.016 16.943 1.00 0.00 N ATOM 472 CA ILE A 30 48.436 49.322 17.642 1.00 0.00 C ATOM 473 C ILE A 30 49.622 49.398 16.679 1.00 0.00 C ATOM 474 O ILE A 30 50.463 50.279 16.844 1.00 0.00 O ATOM 475 CB ILE A 30 48.644 48.354 18.803 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.580 48.558 19.877 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.028 48.503 19.430 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.425 47.379 20.834 1.00 0.00 C ATOM 0 H ILE A 30 46.818 48.102 17.179 1.00 0.00 H new ATOM 0 HA ILE A 30 48.359 50.317 18.081 1.00 0.00 H new ATOM 0 HB ILE A 30 48.559 47.348 18.392 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.827 49.450 20.453 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.622 48.747 19.393 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.133 47.795 20.252 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.791 48.302 18.678 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.149 49.518 19.808 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.650 47.604 21.566 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.145 46.488 20.272 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.369 47.202 21.349 1.00 0.00 H new ATOM 490 N GLN A 31 49.690 48.577 15.635 1.00 0.00 N ATOM 491 CA GLN A 31 50.702 48.708 14.605 1.00 0.00 C ATOM 492 C GLN A 31 50.558 50.016 13.826 1.00 0.00 C ATOM 493 O GLN A 31 51.559 50.663 13.523 1.00 0.00 O ATOM 494 CB GLN A 31 50.682 47.500 13.674 1.00 0.00 C ATOM 495 CG GLN A 31 51.888 47.483 12.738 1.00 0.00 C ATOM 496 CD GLN A 31 51.968 46.242 11.848 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.996 45.522 11.632 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.149 45.926 11.325 1.00 0.00 N ATOM 0 H GLN A 31 49.042 47.804 15.484 1.00 0.00 H new ATOM 0 HA GLN A 31 51.673 48.741 15.099 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.669 46.585 14.266 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.765 47.511 13.085 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.856 48.370 12.105 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.798 47.549 13.334 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.960 46.520 11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.244 45.090 10.748 1.00 0.00 H new ATOM 507 N ASP A 32 49.334 50.461 13.553 1.00 0.00 N ATOM 508 CA ASP A 32 49.078 51.725 12.894 1.00 0.00 C ATOM 509 C ASP A 32 49.245 52.951 13.794 1.00 0.00 C ATOM 510 O ASP A 32 49.504 54.038 13.285 1.00 0.00 O ATOM 511 CB ASP A 32 47.696 51.690 12.249 1.00 0.00 C ATOM 512 CG ASP A 32 47.577 50.780 11.025 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.595 50.402 10.406 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.432 50.494 10.612 1.00 0.00 O ATOM 0 H ASP A 32 48.487 49.943 13.788 1.00 0.00 H new ATOM 0 HA ASP A 32 49.844 51.842 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.971 51.366 12.996 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.422 52.704 11.957 1.00 0.00 H new ATOM 519 N LYS A 33 49.134 52.811 15.113 1.00 0.00 N ATOM 520 CA LYS A 33 49.415 53.837 16.097 1.00 0.00 C ATOM 521 C LYS A 33 50.900 53.982 16.432 1.00 0.00 C ATOM 522 O LYS A 33 51.354 55.102 16.652 1.00 0.00 O ATOM 523 CB LYS A 33 48.630 53.565 17.377 1.00 0.00 C ATOM 524 CG LYS A 33 47.135 53.864 17.319 1.00 0.00 C ATOM 525 CD LYS A 33 46.807 55.323 17.616 1.00 0.00 C ATOM 526 CE LYS A 33 45.295 55.501 17.734 1.00 0.00 C ATOM 527 NZ LYS A 33 44.936 56.860 18.167 1.00 0.00 N ATOM 0 H LYS A 33 48.831 51.935 15.538 1.00 0.00 H new ATOM 0 HA LYS A 33 49.102 54.779 15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.761 52.516 17.644 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.068 54.156 18.181 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.757 53.607 16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.615 53.227 18.035 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.292 55.633 18.542 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.197 55.961 16.823 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.828 55.291 16.772 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.898 54.776 18.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.901 56.941 18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.360 57.051 19.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.292 57.550 17.475 1.00 0.00 H new ATOM 541 N GLU A 34 51.651 52.887 16.505 1.00 0.00 N ATOM 542 CA GLU A 34 52.980 52.842 17.080 1.00 0.00 C ATOM 543 C GLU A 34 54.054 52.124 16.260 1.00 0.00 C ATOM 544 O GLU A 34 55.229 52.200 16.611 1.00 0.00 O ATOM 545 CB GLU A 34 52.890 52.209 18.466 1.00 0.00 C ATOM 546 CG GLU A 34 52.338 53.132 19.549 1.00 0.00 C ATOM 547 CD GLU A 34 53.234 54.350 19.786 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.467 54.190 19.921 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.718 55.488 19.838 1.00 0.00 O ATOM 0 H GLU A 34 51.337 51.983 16.153 1.00 0.00 H new ATOM 0 HA GLU A 34 53.314 53.879 17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.259 51.322 18.406 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.884 51.874 18.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.341 53.467 19.264 1.00 0.00 H new ATOM 0 HG3 GLU A 34 52.233 52.574 20.480 1.00 0.00 H new ATOM 556 N GLY A 35 53.711 51.425 15.182 1.00 0.00 N ATOM 557 CA GLY A 35 54.667 50.765 14.317 1.00 0.00 C ATOM 558 C GLY A 35 55.140 49.380 14.760 1.00 0.00 C ATOM 559 O GLY A 35 56.047 48.826 14.143 1.00 0.00 O ATOM 0 H GLY A 35 52.743 51.303 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.225 50.674 13.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.541 51.409 14.218 1.00 0.00 H new ATOM 563 N ILE A 36 54.549 48.807 15.804 1.00 0.00 N ATOM 564 CA ILE A 36 54.929 47.531 16.377 1.00 0.00 C ATOM 565 C ILE A 36 54.116 46.402 15.741 1.00 0.00 C ATOM 566 O ILE A 36 52.897 46.415 15.896 1.00 0.00 O ATOM 567 CB ILE A 36 54.737 47.551 17.891 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.374 48.745 18.595 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.236 46.243 18.498 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.885 48.885 18.428 1.00 0.00 C ATOM 0 H ILE A 36 53.763 49.240 16.289 1.00 0.00 H new ATOM 0 HA ILE A 36 55.984 47.353 16.169 1.00 0.00 H new ATOM 0 HB ILE A 36 53.665 47.659 18.054 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.901 49.655 18.227 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.150 48.677 19.660 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.095 46.266 19.579 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.675 45.409 18.077 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.295 46.118 18.273 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.231 49.766 18.969 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.379 47.998 18.825 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.126 48.991 17.370 1.00 0.00 H new ATOM 582 N PRO A 37 54.707 45.417 15.072 1.00 0.00 N ATOM 583 CA PRO A 37 53.958 44.336 14.465 1.00 0.00 C ATOM 584 C PRO A 37 53.199 43.460 15.465 1.00 0.00 C ATOM 585 O PRO A 37 53.711 43.224 16.556 1.00 0.00 O ATOM 586 CB PRO A 37 54.956 43.512 13.656 1.00 0.00 C ATOM 587 CG PRO A 37 56.089 44.496 13.381 1.00 0.00 C ATOM 588 CD PRO A 37 56.092 45.345 14.649 1.00 0.00 C ATOM 0 HA PRO A 37 53.175 44.760 13.836 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.305 42.643 14.214 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.514 43.140 12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.041 43.988 13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 37 55.901 45.095 12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.715 44.894 15.421 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.495 46.339 14.455 1.00 0.00 H new ATOM 596 N PRO A 38 52.035 42.920 15.115 1.00 0.00 N ATOM 597 CA PRO A 38 51.246 42.032 15.945 1.00 0.00 C ATOM 598 C PRO A 38 52.008 40.867 16.579 1.00 0.00 C ATOM 599 O PRO A 38 51.721 40.513 17.721 1.00 0.00 O ATOM 600 CB PRO A 38 50.135 41.506 15.040 1.00 0.00 C ATOM 601 CG PRO A 38 49.892 42.669 14.083 1.00 0.00 C ATOM 602 CD PRO A 38 51.282 43.282 13.931 1.00 0.00 C ATOM 0 HA PRO A 38 50.886 42.597 16.805 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.440 40.604 14.510 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.238 41.255 15.606 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.494 42.329 13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.177 43.384 14.490 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.773 42.908 13.032 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.217 44.365 13.831 1.00 0.00 H new ATOM 610 N ASP A 39 53.006 40.319 15.893 1.00 0.00 N ATOM 611 CA ASP A 39 53.835 39.237 16.385 1.00 0.00 C ATOM 612 C ASP A 39 54.818 39.615 17.496 1.00 0.00 C ATOM 613 O ASP A 39 55.470 38.728 18.041 1.00 0.00 O ATOM 614 CB ASP A 39 54.487 38.472 15.237 1.00 0.00 C ATOM 615 CG ASP A 39 55.536 39.252 14.444 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.194 39.814 13.380 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.726 39.250 14.828 1.00 0.00 O ATOM 0 H ASP A 39 53.263 40.627 14.955 1.00 0.00 H new ATOM 0 HA ASP A 39 53.149 38.558 16.890 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.954 37.574 15.640 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.706 38.145 14.551 1.00 0.00 H new ATOM 622 N GLN A 40 54.914 40.889 17.869 1.00 0.00 N ATOM 623 CA GLN A 40 55.691 41.390 18.985 1.00 0.00 C ATOM 624 C GLN A 40 54.839 41.892 20.151 1.00 0.00 C ATOM 625 O GLN A 40 55.386 42.319 21.166 1.00 0.00 O ATOM 626 CB GLN A 40 56.630 42.492 18.504 1.00 0.00 C ATOM 627 CG GLN A 40 57.554 42.100 17.354 1.00 0.00 C ATOM 628 CD GLN A 40 58.489 43.238 16.938 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.893 44.092 17.724 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.899 43.292 15.674 1.00 0.00 N ATOM 0 H GLN A 40 54.424 41.633 17.371 1.00 0.00 H new ATOM 0 HA GLN A 40 56.263 40.546 19.371 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.031 43.348 18.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.241 42.820 19.345 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.149 41.235 17.649 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.953 41.796 16.497 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.577 42.594 15.003 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.535 44.031 15.375 1.00 0.00 H new ATOM 639 N GLN A 41 53.514 41.867 20.039 1.00 0.00 N ATOM 640 CA GLN A 41 52.589 42.424 21.005 1.00 0.00 C ATOM 641 C GLN A 41 51.966 41.347 21.895 1.00 0.00 C ATOM 642 O GLN A 41 51.593 40.285 21.401 1.00 0.00 O ATOM 643 CB GLN A 41 51.476 43.187 20.294 1.00 0.00 C ATOM 644 CG GLN A 41 51.909 44.390 19.462 1.00 0.00 C ATOM 645 CD GLN A 41 50.697 45.050 18.801 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.618 45.130 19.382 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.788 45.527 17.563 1.00 0.00 N ATOM 0 H GLN A 41 53.043 41.441 19.241 1.00 0.00 H new ATOM 0 HA GLN A 41 53.162 43.101 21.639 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.947 42.492 19.642 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.762 43.528 21.043 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.423 45.112 20.097 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.620 44.074 18.698 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.673 45.472 17.059 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.973 45.947 17.117 1.00 0.00 H new ATOM 656 N ARG A 42 51.773 41.642 23.178 1.00 0.00 N ATOM 657 CA ARG A 42 51.103 40.795 24.144 1.00 0.00 C ATOM 658 C ARG A 42 50.108 41.625 24.957 1.00 0.00 C ATOM 659 O ARG A 42 50.506 42.466 25.761 1.00 0.00 O ATOM 660 CB ARG A 42 52.177 40.138 25.005 1.00 0.00 C ATOM 661 CG ARG A 42 51.622 39.225 26.097 1.00 0.00 C ATOM 662 CD ARG A 42 52.767 38.595 26.885 1.00 0.00 C ATOM 663 NE ARG A 42 52.273 37.722 27.950 1.00 0.00 N ATOM 664 CZ ARG A 42 51.869 36.450 27.827 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.899 35.782 26.665 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.393 35.765 28.876 1.00 0.00 N ATOM 0 H ARG A 42 52.097 42.520 23.585 1.00 0.00 H new ATOM 0 HA ARG A 42 50.521 40.010 23.660 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.840 39.558 24.362 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.783 40.916 25.469 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.980 39.796 26.767 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.005 38.445 25.651 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.402 38.022 26.209 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.388 39.380 27.316 1.00 0.00 H new ATOM 0 HE ARG A 42 52.232 38.124 28.886 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.241 36.242 25.821 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.580 34.814 26.625 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.332 36.211 29.791 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.091 34.798 28.759 1.00 0.00 H new ATOM 680 N LEU A 43 48.812 41.422 24.735 1.00 0.00 N ATOM 681 CA LEU A 43 47.751 42.175 25.375 1.00 0.00 C ATOM 682 C LEU A 43 47.228 41.438 26.610 1.00 0.00 C ATOM 683 O LEU A 43 46.950 40.243 26.536 1.00 0.00 O ATOM 684 CB LEU A 43 46.642 42.451 24.364 1.00 0.00 C ATOM 685 CG LEU A 43 47.006 43.503 23.321 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.095 43.379 22.101 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.863 44.912 23.890 1.00 0.00 C ATOM 0 H LEU A 43 48.468 40.711 24.089 1.00 0.00 H new ATOM 0 HA LEU A 43 48.144 43.131 25.721 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.388 41.521 23.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.749 42.776 24.898 1.00 0.00 H new ATOM 0 HG LEU A 43 48.043 43.333 23.033 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.367 44.136 21.366 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.209 42.388 21.661 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.058 43.524 22.405 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.129 45.642 23.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.832 45.075 24.204 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.526 45.027 24.747 1.00 0.00 H new ATOM 699 N ILE A 44 47.085 42.155 27.721 1.00 0.00 N ATOM 700 CA ILE A 44 46.743 41.640 29.032 1.00 0.00 C ATOM 701 C ILE A 44 45.473 42.297 29.577 1.00 0.00 C ATOM 702 O ILE A 44 45.307 43.513 29.511 1.00 0.00 O ATOM 703 CB ILE A 44 47.919 41.804 29.990 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.234 41.202 29.500 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.589 41.260 31.376 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.236 39.694 29.271 1.00 0.00 C ATOM 0 H ILE A 44 47.213 43.167 27.725 1.00 0.00 H new ATOM 0 HA ILE A 44 46.532 40.575 28.937 1.00 0.00 H new ATOM 0 HB ILE A 44 48.077 42.881 30.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.509 41.692 28.566 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.012 41.440 30.225 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.448 41.393 32.033 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.734 41.798 31.784 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.349 40.199 31.303 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.221 39.380 28.925 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.000 39.184 30.205 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.489 39.439 28.519 1.00 0.00 H new ATOM 718 N PHE A 45 44.600 41.483 30.163 1.00 0.00 N ATOM 719 CA PHE A 45 43.381 41.877 30.840 1.00 0.00 C ATOM 720 C PHE A 45 43.182 41.052 32.114 1.00 0.00 C ATOM 721 O PHE A 45 42.968 39.844 32.042 1.00 0.00 O ATOM 722 CB PHE A 45 42.214 41.690 29.874 1.00 0.00 C ATOM 723 CG PHE A 45 40.826 41.837 30.450 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.521 42.840 31.378 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.823 40.947 30.049 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.238 42.924 31.931 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.533 41.040 30.585 1.00 0.00 C ATOM 728 CZ PHE A 45 38.239 42.026 31.535 1.00 0.00 C ATOM 0 H PHE A 45 44.738 40.472 30.175 1.00 0.00 H new ATOM 0 HA PHE A 45 43.441 42.923 31.140 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.324 42.411 29.064 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.295 40.697 29.431 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.279 43.552 31.668 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.046 40.182 29.320 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.018 43.684 32.666 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.765 40.351 30.266 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.248 42.093 31.960 1.00 0.00 H new ATOM 738 N ALA A 46 43.235 41.699 33.274 1.00 0.00 N ATOM 739 CA ALA A 46 43.028 41.120 34.586 1.00 0.00 C ATOM 740 C ALA A 46 43.805 39.826 34.838 1.00 0.00 C ATOM 741 O ALA A 46 43.281 38.863 35.391 1.00 0.00 O ATOM 742 CB ALA A 46 41.530 41.056 34.868 1.00 0.00 C ATOM 0 H ALA A 46 43.435 42.698 33.320 1.00 0.00 H new ATOM 0 HA ALA A 46 43.473 41.776 35.334 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.364 40.621 35.854 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.111 42.062 34.839 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.044 40.439 34.113 1.00 0.00 H new ATOM 748 N GLY A 47 45.064 39.796 34.410 1.00 0.00 N ATOM 749 CA GLY A 47 45.978 38.677 34.519 1.00 0.00 C ATOM 750 C GLY A 47 45.928 37.648 33.387 1.00 0.00 C ATOM 751 O GLY A 47 46.801 36.784 33.336 1.00 0.00 O ATOM 0 H GLY A 47 45.492 40.601 33.953 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.993 39.069 34.580 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.778 38.162 35.459 1.00 0.00 H new ATOM 755 N LYS A 48 44.959 37.711 32.479 1.00 0.00 N ATOM 756 CA LYS A 48 44.866 36.855 31.313 1.00 0.00 C ATOM 757 C LYS A 48 45.534 37.506 30.100 1.00 0.00 C ATOM 758 O LYS A 48 45.436 38.718 29.919 1.00 0.00 O ATOM 759 CB LYS A 48 43.412 36.533 30.978 1.00 0.00 C ATOM 760 CG LYS A 48 42.634 35.824 32.081 1.00 0.00 C ATOM 761 CD LYS A 48 43.096 34.396 32.352 1.00 0.00 C ATOM 762 CE LYS A 48 42.313 33.749 33.491 1.00 0.00 C ATOM 763 NZ LYS A 48 42.507 34.438 34.776 1.00 0.00 N ATOM 0 H LYS A 48 44.194 38.383 32.542 1.00 0.00 H new ATOM 0 HA LYS A 48 45.386 35.928 31.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.898 37.462 30.732 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.391 35.911 30.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.720 36.403 33.001 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.578 35.808 31.812 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.980 33.799 31.447 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.158 34.399 32.598 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.252 33.746 33.241 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.619 32.708 33.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.126 33.851 35.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.522 34.599 34.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.010 35.352 34.759 1.00 0.00 H new ATOM 777 N GLN A 49 46.130 36.700 29.225 1.00 0.00 N ATOM 778 CA GLN A 49 46.443 37.110 27.871 1.00 0.00 C ATOM 779 C GLN A 49 45.158 37.182 27.044 1.00 0.00 C ATOM 780 O GLN A 49 44.276 36.339 27.194 1.00 0.00 O ATOM 781 CB GLN A 49 47.432 36.117 27.268 1.00 0.00 C ATOM 782 CG GLN A 49 47.955 36.524 25.893 1.00 0.00 C ATOM 783 CD GLN A 49 48.666 35.381 25.166 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.007 34.347 25.737 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.889 35.486 23.859 1.00 0.00 N ATOM 0 H GLN A 49 46.408 35.743 29.442 1.00 0.00 H new ATOM 0 HA GLN A 49 46.898 38.100 27.872 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.276 36.002 27.948 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.951 35.142 27.189 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.123 36.875 25.282 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.644 37.361 26.005 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.616 36.333 23.361 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.333 34.719 23.354 1.00 0.00 H new ATOM 794 N LEU A 50 45.067 38.139 26.126 1.00 0.00 N ATOM 795 CA LEU A 50 44.069 38.140 25.076 1.00 0.00 C ATOM 796 C LEU A 50 44.586 37.343 23.877 1.00 0.00 C ATOM 797 O LEU A 50 45.559 37.735 23.237 1.00 0.00 O ATOM 798 CB LEU A 50 43.671 39.570 24.720 1.00 0.00 C ATOM 799 CG LEU A 50 43.159 40.423 25.877 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.729 41.798 25.371 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.959 39.797 26.581 1.00 0.00 C ATOM 0 H LEU A 50 45.694 38.943 26.095 1.00 0.00 H new ATOM 0 HA LEU A 50 43.160 37.648 25.423 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.534 40.069 24.280 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.899 39.532 23.952 1.00 0.00 H new ATOM 0 HG LEU A 50 43.984 40.501 26.585 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.366 42.396 26.207 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.580 42.298 24.909 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.933 41.682 24.635 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.636 40.445 27.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.143 39.674 25.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.240 38.823 26.982 1.00 0.00 H new ATOM 813 N GLU A 51 43.962 36.201 23.601 1.00 0.00 N ATOM 814 CA GLU A 51 44.306 35.297 22.522 1.00 0.00 C ATOM 815 C GLU A 51 43.871 35.841 21.160 1.00 0.00 C ATOM 816 O GLU A 51 42.765 36.351 20.992 1.00 0.00 O ATOM 817 CB GLU A 51 43.735 33.905 22.780 1.00 0.00 C ATOM 818 CG GLU A 51 44.389 33.166 23.943 1.00 0.00 C ATOM 819 CD GLU A 51 43.799 31.777 24.203 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.572 31.583 24.060 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.519 30.837 24.601 1.00 0.00 O ATOM 0 H GLU A 51 43.169 35.872 24.151 1.00 0.00 H new ATOM 0 HA GLU A 51 45.393 35.215 22.494 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.666 33.994 22.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.845 33.306 21.876 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.456 33.066 23.744 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.289 33.768 24.846 1.00 0.00 H new ATOM 828 N ASP A 52 44.745 35.725 20.164 1.00 0.00 N ATOM 829 CA ASP A 52 44.665 36.412 18.891 1.00 0.00 C ATOM 830 C ASP A 52 43.435 36.063 18.051 1.00 0.00 C ATOM 831 O ASP A 52 42.889 36.909 17.346 1.00 0.00 O ATOM 832 CB ASP A 52 45.936 36.114 18.100 1.00 0.00 C ATOM 833 CG ASP A 52 47.202 36.619 18.794 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.685 37.713 18.429 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.753 35.922 19.674 1.00 0.00 O ATOM 0 H ASP A 52 45.564 35.120 20.232 1.00 0.00 H new ATOM 0 HA ASP A 52 44.566 37.474 19.114 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.017 35.038 17.945 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.860 36.573 17.114 1.00 0.00 H new ATOM 840 N GLY A 53 42.957 34.825 18.142 1.00 0.00 N ATOM 841 CA GLY A 53 41.809 34.318 17.417 1.00 0.00 C ATOM 842 C GLY A 53 40.438 34.746 17.948 1.00 0.00 C ATOM 843 O GLY A 53 39.443 34.157 17.530 1.00 0.00 O ATOM 0 H GLY A 53 43.381 34.124 18.749 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.890 34.637 16.378 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.854 33.229 17.420 1.00 0.00 H new ATOM 847 N ARG A 54 40.346 35.709 18.861 1.00 0.00 N ATOM 848 CA ARG A 54 39.139 36.041 19.588 1.00 0.00 C ATOM 849 C ARG A 54 38.679 37.487 19.393 1.00 0.00 C ATOM 850 O ARG A 54 39.393 38.293 18.802 1.00 0.00 O ATOM 851 CB ARG A 54 39.326 35.690 21.062 1.00 0.00 C ATOM 852 CG ARG A 54 39.881 34.283 21.264 1.00 0.00 C ATOM 853 CD ARG A 54 39.642 33.759 22.677 1.00 0.00 C ATOM 854 NE ARG A 54 40.234 32.432 22.851 1.00 0.00 N ATOM 855 CZ ARG A 54 39.769 31.257 22.406 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.601 31.125 21.761 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.522 30.169 22.619 1.00 0.00 N ATOM 0 H ARG A 54 41.140 36.295 19.119 1.00 0.00 H new ATOM 0 HA ARG A 54 38.329 35.441 19.173 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.001 36.412 21.521 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.369 35.777 21.577 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.418 33.606 20.546 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.951 34.285 21.056 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.071 34.450 23.403 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.571 33.712 22.875 1.00 0.00 H new ATOM 0 HE ARG A 54 41.108 32.397 23.376 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.019 31.944 21.588 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.295 30.205 21.443 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.415 30.254 23.105 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.202 29.256 22.295 1.00 0.00 H new ATOM 871 N THR A 55 37.495 37.813 19.905 1.00 0.00 N ATOM 872 CA THR A 55 36.880 39.124 19.879 1.00 0.00 C ATOM 873 C THR A 55 36.844 39.807 21.249 1.00 0.00 C ATOM 874 O THR A 55 36.878 39.147 22.285 1.00 0.00 O ATOM 875 CB THR A 55 35.473 39.092 19.290 1.00 0.00 C ATOM 876 OG1 THR A 55 34.675 38.139 19.955 1.00 0.00 O ATOM 877 CG2 THR A 55 35.462 38.759 17.801 1.00 0.00 C ATOM 0 H THR A 55 36.910 37.123 20.376 1.00 0.00 H new ATOM 0 HA THR A 55 37.523 39.717 19.229 1.00 0.00 H new ATOM 0 HB THR A 55 35.072 40.096 19.426 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.848 38.564 20.265 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.434 38.751 17.438 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.033 39.510 17.256 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.910 37.778 17.644 1.00 0.00 H new ATOM 885 N LEU A 56 36.703 41.129 21.244 1.00 0.00 N ATOM 886 CA LEU A 56 36.428 41.904 22.437 1.00 0.00 C ATOM 887 C LEU A 56 35.145 41.441 23.131 1.00 0.00 C ATOM 888 O LEU A 56 35.140 41.287 24.350 1.00 0.00 O ATOM 889 CB LEU A 56 36.350 43.389 22.097 1.00 0.00 C ATOM 890 CG LEU A 56 37.650 44.048 21.646 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.406 45.536 21.405 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.771 43.924 22.672 1.00 0.00 C ATOM 0 H LEU A 56 36.778 41.694 20.398 1.00 0.00 H new ATOM 0 HA LEU A 56 37.251 41.744 23.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.608 43.521 21.309 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.982 43.922 22.974 1.00 0.00 H new ATOM 0 HG LEU A 56 37.960 43.531 20.738 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.333 46.009 21.083 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.648 45.660 20.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.062 46.003 22.328 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.668 44.413 22.292 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.466 44.400 23.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.982 42.870 22.855 1.00 0.00 H new ATOM 904 N SER A 57 34.094 41.135 22.376 1.00 0.00 N ATOM 905 CA SER A 57 32.856 40.562 22.865 1.00 0.00 C ATOM 906 C SER A 57 33.039 39.221 23.578 1.00 0.00 C ATOM 907 O SER A 57 32.464 39.024 24.646 1.00 0.00 O ATOM 908 CB SER A 57 31.867 40.401 21.714 1.00 0.00 C ATOM 909 OG SER A 57 32.398 39.627 20.662 1.00 0.00 O ATOM 0 H SER A 57 34.087 41.288 21.368 1.00 0.00 H new ATOM 0 HA SER A 57 32.469 41.259 23.608 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.955 39.932 22.083 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.589 41.385 21.335 1.00 0.00 H new ATOM 0 HG SER A 57 31.733 39.547 19.947 1.00 0.00 H new ATOM 915 N ASP A 58 33.877 38.325 23.065 1.00 0.00 N ATOM 916 CA ASP A 58 34.126 37.026 23.658 1.00 0.00 C ATOM 917 C ASP A 58 34.895 37.107 24.978 1.00 0.00 C ATOM 918 O ASP A 58 34.674 36.289 25.868 1.00 0.00 O ATOM 919 CB ASP A 58 34.848 36.138 22.649 1.00 0.00 C ATOM 920 CG ASP A 58 34.973 34.694 23.140 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.928 34.026 23.290 1.00 0.00 O ATOM 922 OD2 ASP A 58 36.106 34.214 23.357 1.00 0.00 O ATOM 0 H ASP A 58 34.409 38.490 22.210 1.00 0.00 H new ATOM 0 HA ASP A 58 33.161 36.585 23.907 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.309 36.153 21.702 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.842 36.542 22.456 1.00 0.00 H new ATOM 927 N TYR A 59 35.731 38.128 25.146 1.00 0.00 N ATOM 928 CA TYR A 59 36.337 38.506 26.406 1.00 0.00 C ATOM 929 C TYR A 59 35.471 39.424 27.270 1.00 0.00 C ATOM 930 O TYR A 59 35.883 39.757 28.379 1.00 0.00 O ATOM 931 CB TYR A 59 37.719 39.100 26.146 1.00 0.00 C ATOM 932 CG TYR A 59 38.794 38.064 25.916 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.274 37.334 27.009 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.336 37.866 24.641 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.290 36.387 26.840 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.371 36.938 24.464 1.00 0.00 C ATOM 937 CZ TYR A 59 40.835 36.179 25.556 1.00 0.00 C ATOM 938 OH TYR A 59 41.810 35.246 25.358 1.00 0.00 O ATOM 0 H TYR A 59 36.011 38.734 24.375 1.00 0.00 H new ATOM 0 HA TYR A 59 36.436 37.597 26.999 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.665 39.754 25.276 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.003 39.722 26.995 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.857 37.503 27.991 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.959 38.426 23.798 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.653 35.821 27.685 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.814 36.804 23.488 1.00 0.00 H new ATOM 0 HH TYR A 59 42.600 35.481 25.888 1.00 0.00 H new ATOM 948 N ASN A 60 34.273 39.814 26.839 1.00 0.00 N ATOM 949 CA ASN A 60 33.397 40.736 27.531 1.00 0.00 C ATOM 950 C ASN A 60 34.072 42.069 27.863 1.00 0.00 C ATOM 951 O ASN A 60 33.987 42.580 28.977 1.00 0.00 O ATOM 952 CB ASN A 60 32.717 40.021 28.695 1.00 0.00 C ATOM 953 CG ASN A 60 31.543 40.797 29.296 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.014 41.751 28.730 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.071 40.377 30.466 1.00 0.00 N ATOM 0 H ASN A 60 33.877 39.478 25.961 1.00 0.00 H new ATOM 0 HA ASN A 60 32.596 41.049 26.861 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.361 39.049 28.354 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.455 39.835 29.475 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.272 40.846 30.892 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.508 39.585 30.938 1.00 0.00 H new ATOM 962 N ILE A 61 34.784 42.630 26.890 1.00 0.00 N ATOM 963 CA ILE A 61 35.417 43.932 26.953 1.00 0.00 C ATOM 964 C ILE A 61 34.445 44.962 26.375 1.00 0.00 C ATOM 965 O ILE A 61 34.012 44.840 25.231 1.00 0.00 O ATOM 966 CB ILE A 61 36.779 43.923 26.265 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.729 42.940 26.941 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.389 45.323 26.280 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.966 42.592 26.117 1.00 0.00 C ATOM 0 H ILE A 61 34.939 42.163 25.997 1.00 0.00 H new ATOM 0 HA ILE A 61 35.630 44.206 27.986 1.00 0.00 H new ATOM 0 HB ILE A 61 36.631 43.606 25.233 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.049 43.360 27.895 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.185 42.022 27.163 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.360 45.302 25.786 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.729 46.013 25.754 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.513 45.655 27.311 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.586 41.888 26.672 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.659 42.140 25.174 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.537 43.499 25.917 1.00 0.00 H new ATOM 981 N GLN A 62 34.065 45.949 27.181 1.00 0.00 N ATOM 982 CA GLN A 62 33.023 46.916 26.903 1.00 0.00 C ATOM 983 C GLN A 62 33.580 48.333 26.763 1.00 0.00 C ATOM 984 O GLN A 62 34.772 48.557 26.964 1.00 0.00 O ATOM 985 CB GLN A 62 31.980 46.847 28.016 1.00 0.00 C ATOM 986 CG GLN A 62 31.423 45.452 28.285 1.00 0.00 C ATOM 987 CD GLN A 62 30.457 45.404 29.470 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.041 46.411 30.039 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.049 44.211 29.894 1.00 0.00 N ATOM 0 H GLN A 62 34.502 46.098 28.091 1.00 0.00 H new ATOM 0 HA GLN A 62 32.561 46.669 25.947 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.424 47.229 28.935 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.153 47.510 27.762 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.910 45.095 27.392 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.251 44.768 28.472 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.384 43.364 29.434 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.401 44.143 30.679 1.00 0.00 H new ATOM 998 N LYS A 63 32.735 49.309 26.445 1.00 0.00 N ATOM 999 CA LYS A 63 33.121 50.699 26.303 1.00 0.00 C ATOM 1000 C LYS A 63 33.894 51.251 27.503 1.00 0.00 C ATOM 1001 O LYS A 63 33.627 50.892 28.648 1.00 0.00 O ATOM 1002 CB LYS A 63 31.908 51.569 25.989 1.00 0.00 C ATOM 1003 CG LYS A 63 30.938 51.767 27.151 1.00 0.00 C ATOM 1004 CD LYS A 63 29.772 52.654 26.726 1.00 0.00 C ATOM 1005 CE LYS A 63 28.821 52.906 27.893 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.631 53.650 27.453 1.00 0.00 N ATOM 0 H LYS A 63 31.742 49.146 26.276 1.00 0.00 H new ATOM 0 HA LYS A 63 33.813 50.734 25.462 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.257 52.546 25.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.366 51.123 25.155 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.564 50.801 27.489 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.459 52.220 27.995 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.152 53.604 26.350 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.230 52.181 25.907 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.518 51.955 28.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.337 53.467 28.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.001 53.808 28.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.922 54.566 27.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.128 53.102 26.726 1.00 0.00 H new ATOM 1020 N GLU A 64 34.837 52.146 27.227 1.00 0.00 N ATOM 1021 CA GLU A 64 35.654 52.852 28.195 1.00 0.00 C ATOM 1022 C GLU A 64 36.539 51.965 29.072 1.00 0.00 C ATOM 1023 O GLU A 64 37.054 52.410 30.096 1.00 0.00 O ATOM 1024 CB GLU A 64 34.826 53.850 28.999 1.00 0.00 C ATOM 1025 CG GLU A 64 33.939 54.768 28.163 1.00 0.00 C ATOM 1026 CD GLU A 64 33.355 55.896 29.014 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.052 56.913 29.224 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.189 55.811 29.457 1.00 0.00 O ATOM 0 H GLU A 64 35.060 52.409 26.267 1.00 0.00 H new ATOM 0 HA GLU A 64 36.375 53.416 27.603 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.197 53.299 29.698 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.501 54.464 29.594 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.519 55.191 27.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.130 54.189 27.717 1.00 0.00 H new ATOM 1035 N SER A 65 36.744 50.713 28.672 1.00 0.00 N ATOM 1036 CA SER A 65 37.621 49.773 29.340 1.00 0.00 C ATOM 1037 C SER A 65 39.100 50.121 29.150 1.00 0.00 C ATOM 1038 O SER A 65 39.502 50.583 28.086 1.00 0.00 O ATOM 1039 CB SER A 65 37.395 48.345 28.850 1.00 0.00 C ATOM 1040 OG SER A 65 36.093 47.915 29.177 1.00 0.00 O ATOM 0 H SER A 65 36.288 50.319 27.849 1.00 0.00 H new ATOM 0 HA SER A 65 37.373 49.842 30.399 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.541 48.296 27.771 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.130 47.678 29.301 1.00 0.00 H new ATOM 0 HG SER A 65 35.511 48.011 28.395 1.00 0.00 H new ATOM 1046 N THR A 66 39.902 49.815 30.165 1.00 0.00 N ATOM 1047 CA THR A 66 41.348 49.901 30.127 1.00 0.00 C ATOM 1048 C THR A 66 41.964 48.504 30.029 1.00 0.00 C ATOM 1049 O THR A 66 41.577 47.605 30.773 1.00 0.00 O ATOM 1050 CB THR A 66 41.890 50.675 31.327 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.434 52.008 31.276 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.414 50.758 31.323 1.00 0.00 C ATOM 0 H THR A 66 39.546 49.490 31.064 1.00 0.00 H new ATOM 0 HA THR A 66 41.635 50.457 29.234 1.00 0.00 H new ATOM 0 HB THR A 66 41.545 50.144 32.214 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.781 52.502 32.048 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.750 51.318 32.196 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.833 49.752 31.353 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.748 51.263 30.417 1.00 0.00 H new ATOM 1060 N LEU A 67 42.943 48.335 29.145 1.00 0.00 N ATOM 1061 CA LEU A 67 43.713 47.132 28.900 1.00 0.00 C ATOM 1062 C LEU A 67 45.207 47.448 28.989 1.00 0.00 C ATOM 1063 O LEU A 67 45.600 48.598 28.805 1.00 0.00 O ATOM 1064 CB LEU A 67 43.378 46.583 27.517 1.00 0.00 C ATOM 1065 CG LEU A 67 41.906 46.301 27.224 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.757 45.863 25.769 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.325 45.197 28.102 1.00 0.00 C ATOM 0 H LEU A 67 43.237 49.099 28.537 1.00 0.00 H new ATOM 0 HA LEU A 67 43.463 46.383 29.652 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.742 47.292 26.773 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.936 45.657 27.375 1.00 0.00 H new ATOM 0 HG LEU A 67 41.364 47.224 27.431 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.707 45.661 25.556 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.115 46.656 25.112 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.343 44.959 25.599 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.277 45.043 27.847 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.878 44.272 27.938 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.404 45.486 29.150 1.00 0.00 H new ATOM 1079 N HIS A 68 46.057 46.449 29.209 1.00 0.00 N ATOM 1080 CA HIS A 68 47.485 46.625 29.379 1.00 0.00 C ATOM 1081 C HIS A 68 48.266 45.948 28.251 1.00 0.00 C ATOM 1082 O HIS A 68 47.899 44.863 27.808 1.00 0.00 O ATOM 1083 CB HIS A 68 47.897 46.139 30.766 1.00 0.00 C ATOM 1084 CG HIS A 68 47.119 46.801 31.869 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.377 48.058 32.409 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.944 46.328 32.395 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.341 48.346 33.200 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.472 47.323 33.228 1.00 0.00 N ATOM 0 H HIS A 68 45.760 45.476 29.274 1.00 0.00 H new ATOM 0 HA HIS A 68 47.731 47.685 29.314 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.756 45.060 30.825 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.960 46.330 30.912 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.482 45.372 32.198 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.219 49.272 33.742 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.610 47.287 33.772 1.00 0.00 H new ATOM 1096 N LEU A 69 49.336 46.576 27.770 1.00 0.00 N ATOM 1097 CA LEU A 69 50.160 46.086 26.685 1.00 0.00 C ATOM 1098 C LEU A 69 51.591 45.814 27.151 1.00 0.00 C ATOM 1099 O LEU A 69 52.292 46.719 27.600 1.00 0.00 O ATOM 1100 CB LEU A 69 50.107 47.090 25.537 1.00 0.00 C ATOM 1101 CG LEU A 69 51.008 46.793 24.342 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.631 45.507 23.612 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.908 47.934 23.335 1.00 0.00 C ATOM 0 H LEU A 69 49.658 47.469 28.142 1.00 0.00 H new ATOM 0 HA LEU A 69 49.772 45.130 26.333 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.078 47.152 25.183 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.370 48.073 25.929 1.00 0.00 H new ATOM 0 HG LEU A 69 52.017 46.681 24.739 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.309 45.353 22.773 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.705 44.664 24.299 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.609 45.585 23.242 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.551 47.723 22.481 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.876 48.032 22.997 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.225 48.864 23.807 1.00 0.00 H new ATOM 1115 N VAL A 70 52.050 44.580 26.963 1.00 0.00 N ATOM 1116 CA VAL A 70 53.434 44.162 27.061 1.00 0.00 C ATOM 1117 C VAL A 70 53.978 43.987 25.642 1.00 0.00 C ATOM 1118 O VAL A 70 53.288 43.450 24.779 1.00 0.00 O ATOM 1119 CB VAL A 70 53.522 42.869 27.865 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.928 42.274 27.891 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.097 43.082 29.315 1.00 0.00 C ATOM 0 H VAL A 70 51.428 43.807 26.726 1.00 0.00 H new ATOM 0 HA VAL A 70 54.035 44.909 27.580 1.00 0.00 H new ATOM 0 HB VAL A 70 52.848 42.179 27.357 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.924 41.356 28.479 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.248 42.052 26.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.617 42.989 28.340 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.172 42.140 29.858 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.748 43.822 29.780 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.067 43.436 29.344 1.00 0.00 H new