USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 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 22 THR OG1 : rot -52:sc= 1.53 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.21 K(o=2.7,f=-2.6!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0487) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.39 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= 0.456 K(o=0.46,f=-0.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.00383 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.89 (180deg=1.82) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.22) USER MOD Single : A 40 GLN : amide:sc= -0.0852 X(o=-0.085,f=-0.085) USER MOD Single : A 41 GLN : amide:sc= 1.75 K(o=1.8,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.71 K(o=1.7,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.1 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0034 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.364 USER MOD Single : A 60 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.3!) USER MOD Single : A 62 GLN : amide:sc= 0.984 K(o=0.98,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0272 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.183 51.691 19.615 1.00 0.00 N ATOM 2 CA MET A 1 33.322 52.112 21.017 1.00 0.00 C ATOM 3 C MET A 1 34.738 52.620 21.292 1.00 0.00 C ATOM 4 O MET A 1 35.693 52.118 20.703 1.00 0.00 O ATOM 5 CB MET A 1 32.950 51.014 22.010 1.00 0.00 C ATOM 6 CG MET A 1 33.825 49.766 21.943 1.00 0.00 C ATOM 7 SD MET A 1 33.596 48.627 23.331 1.00 0.00 S ATOM 8 CE MET A 1 34.817 47.369 22.881 1.00 0.00 C ATOM 0 H1 MET A 1 32.181 51.511 19.404 1.00 0.00 H new ATOM 0 H2 MET A 1 33.539 52.442 18.990 1.00 0.00 H new ATOM 0 H3 MET A 1 33.731 50.821 19.458 1.00 0.00 H new ATOM 0 HA MET A 1 32.612 52.926 21.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.002 51.423 23.019 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.914 50.724 21.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.614 49.237 21.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.871 50.070 21.906 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.907 46.643 23.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.498 46.861 21.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.783 47.844 22.711 1.00 0.00 H new ATOM 20 N GLN A 2 34.871 53.552 22.232 1.00 0.00 N ATOM 21 CA GLN A 2 36.148 54.015 22.735 1.00 0.00 C ATOM 22 C GLN A 2 36.694 53.061 23.798 1.00 0.00 C ATOM 23 O GLN A 2 35.988 52.728 24.747 1.00 0.00 O ATOM 24 CB GLN A 2 35.990 55.419 23.312 1.00 0.00 C ATOM 25 CG GLN A 2 35.632 56.500 22.295 1.00 0.00 C ATOM 26 CD GLN A 2 36.843 56.954 21.477 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.480 57.959 21.782 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.217 56.237 20.420 1.00 0.00 N ATOM 0 H GLN A 2 34.073 54.012 22.670 1.00 0.00 H new ATOM 0 HA GLN A 2 36.861 54.042 21.911 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.217 55.395 24.080 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.921 55.699 23.805 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.863 56.121 21.622 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.206 57.358 22.815 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.694 55.401 20.160 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.027 56.523 19.870 1.00 0.00 H new ATOM 37 N ILE A 3 37.956 52.658 23.674 1.00 0.00 N ATOM 38 CA ILE A 3 38.693 51.890 24.656 1.00 0.00 C ATOM 39 C ILE A 3 40.101 52.459 24.851 1.00 0.00 C ATOM 40 O ILE A 3 40.562 53.264 24.045 1.00 0.00 O ATOM 41 CB ILE A 3 38.741 50.405 24.305 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.394 50.132 22.954 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.354 49.778 24.407 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.741 48.664 22.719 1.00 0.00 C ATOM 0 H ILE A 3 38.512 52.871 22.846 1.00 0.00 H new ATOM 0 HA ILE A 3 38.157 51.976 25.601 1.00 0.00 H new ATOM 0 HB ILE A 3 39.383 49.925 25.043 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.723 50.468 22.163 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.304 50.727 22.874 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.413 48.720 24.152 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.980 49.886 25.425 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.676 50.280 23.716 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.201 48.552 21.737 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.437 48.327 23.487 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.832 48.064 22.765 1.00 0.00 H new ATOM 56 N PHE A 4 40.811 52.011 25.882 1.00 0.00 N ATOM 57 CA PHE A 4 42.149 52.469 26.196 1.00 0.00 C ATOM 58 C PHE A 4 43.185 51.344 26.148 1.00 0.00 C ATOM 59 O PHE A 4 42.865 50.180 26.383 1.00 0.00 O ATOM 60 CB PHE A 4 42.152 53.172 27.551 1.00 0.00 C ATOM 61 CG PHE A 4 41.126 54.270 27.705 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.084 55.329 26.792 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.194 54.221 28.749 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.105 56.323 26.911 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.224 55.223 28.880 1.00 0.00 C ATOM 66 CZ PHE A 4 39.176 56.275 27.958 1.00 0.00 C ATOM 0 H PHE A 4 40.461 51.306 26.531 1.00 0.00 H new ATOM 0 HA PHE A 4 42.444 53.181 25.425 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.985 52.428 28.330 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.142 53.595 27.722 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.809 55.380 25.993 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.223 53.406 29.457 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.066 57.129 26.193 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.513 55.184 29.692 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.426 57.046 28.054 1.00 0.00 H new ATOM 76 N VAL A 5 44.440 51.697 25.886 1.00 0.00 N ATOM 77 CA VAL A 5 45.581 50.810 25.978 1.00 0.00 C ATOM 78 C VAL A 5 46.719 51.505 26.728 1.00 0.00 C ATOM 79 O VAL A 5 47.059 52.639 26.396 1.00 0.00 O ATOM 80 CB VAL A 5 46.065 50.341 24.608 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.106 49.232 24.730 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.938 49.835 23.711 1.00 0.00 C ATOM 0 H VAL A 5 44.692 52.641 25.595 1.00 0.00 H new ATOM 0 HA VAL A 5 45.263 49.924 26.527 1.00 0.00 H new ATOM 0 HB VAL A 5 46.505 51.226 24.149 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.427 48.923 23.735 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.965 49.600 25.291 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.670 48.380 25.251 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.350 49.517 22.753 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.442 48.991 24.191 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.216 50.635 23.548 1.00 0.00 H new ATOM 92 N LYS A 6 47.328 50.833 27.700 1.00 0.00 N ATOM 93 CA LYS A 6 48.549 51.243 28.364 1.00 0.00 C ATOM 94 C LYS A 6 49.774 50.679 27.641 1.00 0.00 C ATOM 95 O LYS A 6 49.848 49.472 27.421 1.00 0.00 O ATOM 96 CB LYS A 6 48.566 50.794 29.823 1.00 0.00 C ATOM 97 CG LYS A 6 47.452 51.321 30.724 1.00 0.00 C ATOM 98 CD LYS A 6 47.370 52.839 30.858 1.00 0.00 C ATOM 99 CE LYS A 6 48.686 53.450 31.328 1.00 0.00 C ATOM 100 NZ LYS A 6 48.550 54.869 31.691 1.00 0.00 N ATOM 0 H LYS A 6 46.964 49.950 28.058 1.00 0.00 H new ATOM 0 HA LYS A 6 48.585 52.332 28.335 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.531 49.705 29.843 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.521 51.090 30.257 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.498 50.957 30.342 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.582 50.894 31.718 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.094 53.272 29.897 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.580 53.097 31.563 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.055 52.892 32.188 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.432 53.350 30.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.478 55.335 31.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.883 55.331 31.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.193 54.946 32.665 1.00 0.00 H new ATOM 168 N LYS A 11 52.318 55.255 29.189 1.00 0.00 N ATOM 169 CA LYS A 11 51.434 56.177 28.505 1.00 0.00 C ATOM 170 C LYS A 11 50.111 55.494 28.155 1.00 0.00 C ATOM 171 O LYS A 11 50.074 54.273 28.022 1.00 0.00 O ATOM 172 CB LYS A 11 52.193 56.704 27.289 1.00 0.00 C ATOM 173 CG LYS A 11 51.486 57.789 26.480 1.00 0.00 C ATOM 174 CD LYS A 11 52.374 58.241 25.324 1.00 0.00 C ATOM 175 CE LYS A 11 51.631 59.241 24.444 1.00 0.00 C ATOM 176 NZ LYS A 11 52.479 59.730 23.346 1.00 0.00 N ATOM 0 HA LYS A 11 51.157 57.021 29.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.153 57.096 27.626 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.406 55.865 26.627 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.540 57.409 26.095 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.251 58.638 27.122 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.285 58.696 25.713 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.676 57.378 24.730 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.737 58.771 24.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.298 60.083 25.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.942 60.408 22.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.319 60.200 23.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.776 58.929 22.753 1.00 0.00 H new ATOM 190 N THR A 12 49.030 56.249 27.982 1.00 0.00 N ATOM 191 CA THR A 12 47.760 55.762 27.482 1.00 0.00 C ATOM 192 C THR A 12 47.521 56.224 26.043 1.00 0.00 C ATOM 193 O THR A 12 47.842 57.358 25.696 1.00 0.00 O ATOM 194 CB THR A 12 46.583 56.176 28.362 1.00 0.00 C ATOM 195 OG1 THR A 12 46.813 55.823 29.707 1.00 0.00 O ATOM 196 CG2 THR A 12 45.290 55.462 27.981 1.00 0.00 C ATOM 0 H THR A 12 49.019 57.247 28.194 1.00 0.00 H new ATOM 0 HA THR A 12 47.821 54.674 27.505 1.00 0.00 H new ATOM 0 HB THR A 12 46.489 57.253 28.223 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.047 56.099 30.253 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.485 55.792 28.637 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.035 55.697 26.948 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.425 54.385 28.085 1.00 0.00 H new ATOM 204 N ILE A 13 46.932 55.353 25.228 1.00 0.00 N ATOM 205 CA ILE A 13 46.369 55.663 23.929 1.00 0.00 C ATOM 206 C ILE A 13 44.899 55.245 23.859 1.00 0.00 C ATOM 207 O ILE A 13 44.503 54.261 24.481 1.00 0.00 O ATOM 208 CB ILE A 13 47.187 55.065 22.787 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.285 53.544 22.879 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.556 55.734 22.703 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.961 52.848 21.701 1.00 0.00 C ATOM 0 H ILE A 13 46.833 54.368 25.472 1.00 0.00 H new ATOM 0 HA ILE A 13 46.414 56.745 23.803 1.00 0.00 H new ATOM 0 HB ILE A 13 46.660 55.270 21.855 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.829 53.289 23.788 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.278 53.140 22.986 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.126 55.295 21.884 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.429 56.802 22.526 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.093 55.583 23.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.975 51.772 21.873 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.408 53.062 20.786 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.983 53.213 21.601 1.00 0.00 H new ATOM 223 N THR A 14 44.100 55.969 23.081 1.00 0.00 N ATOM 224 CA THR A 14 42.707 55.671 22.818 1.00 0.00 C ATOM 225 C THR A 14 42.561 54.910 21.499 1.00 0.00 C ATOM 226 O THR A 14 43.184 55.266 20.502 1.00 0.00 O ATOM 227 CB THR A 14 41.856 56.938 22.801 1.00 0.00 C ATOM 228 OG1 THR A 14 41.960 57.649 24.014 1.00 0.00 O ATOM 229 CG2 THR A 14 40.366 56.658 22.636 1.00 0.00 C ATOM 0 H THR A 14 44.423 56.809 22.601 1.00 0.00 H new ATOM 0 HA THR A 14 42.345 55.040 23.629 1.00 0.00 H new ATOM 0 HB THR A 14 42.240 57.504 21.953 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.438 57.192 24.707 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.817 57.600 22.632 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.196 56.135 21.695 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.018 56.039 23.463 1.00 0.00 H new ATOM 237 N LEU A 15 41.722 53.877 21.486 1.00 0.00 N ATOM 238 CA LEU A 15 41.375 53.073 20.331 1.00 0.00 C ATOM 239 C LEU A 15 39.870 53.129 20.061 1.00 0.00 C ATOM 240 O LEU A 15 39.073 53.221 20.992 1.00 0.00 O ATOM 241 CB LEU A 15 41.832 51.636 20.564 1.00 0.00 C ATOM 242 CG LEU A 15 42.941 51.170 19.625 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.275 51.858 19.901 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.136 49.667 19.798 1.00 0.00 C ATOM 0 H LEU A 15 41.243 53.566 22.331 1.00 0.00 H new ATOM 0 HA LEU A 15 41.881 53.472 19.452 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.179 51.540 21.593 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.975 50.972 20.453 1.00 0.00 H new ATOM 0 HG LEU A 15 42.634 51.425 18.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.026 51.488 19.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.162 52.935 19.775 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.591 51.643 20.922 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.927 49.324 19.131 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.413 49.452 20.830 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.208 49.149 19.557 1.00 0.00 H new ATOM 256 N GLU A 16 39.486 53.005 18.794 1.00 0.00 N ATOM 257 CA GLU A 16 38.109 52.943 18.348 1.00 0.00 C ATOM 258 C GLU A 16 37.872 51.657 17.552 1.00 0.00 C ATOM 259 O GLU A 16 38.328 51.516 16.419 1.00 0.00 O ATOM 260 CB GLU A 16 37.796 54.194 17.532 1.00 0.00 C ATOM 261 CG GLU A 16 36.400 54.254 16.918 1.00 0.00 C ATOM 262 CD GLU A 16 35.259 54.113 17.928 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.333 53.313 17.675 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.242 54.846 18.940 1.00 0.00 O ATOM 0 H GLU A 16 40.154 52.943 18.026 1.00 0.00 H new ATOM 0 HA GLU A 16 37.433 52.917 19.203 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.928 55.066 18.173 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.529 54.274 16.729 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.288 55.202 16.392 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.310 53.463 16.173 1.00 0.00 H new ATOM 271 N VAL A 17 37.159 50.714 18.160 1.00 0.00 N ATOM 272 CA VAL A 17 36.866 49.395 17.637 1.00 0.00 C ATOM 273 C VAL A 17 35.437 48.976 17.988 1.00 0.00 C ATOM 274 O VAL A 17 34.823 49.544 18.888 1.00 0.00 O ATOM 275 CB VAL A 17 37.861 48.350 18.135 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.243 48.553 17.522 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.994 48.325 19.654 1.00 0.00 C ATOM 0 H VAL A 17 36.750 50.864 19.082 1.00 0.00 H new ATOM 0 HA VAL A 17 36.961 49.452 16.553 1.00 0.00 H new ATOM 0 HB VAL A 17 37.453 47.392 17.814 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.924 47.791 17.900 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.175 48.473 16.437 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.619 49.540 17.790 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.716 47.561 19.944 1.00 0.00 H new ATOM 0 HG22 VAL A 17 38.335 49.299 20.005 1.00 0.00 H new ATOM 0 HG23 VAL A 17 37.026 48.097 20.100 1.00 0.00 H new ATOM 287 N GLU A 18 34.903 47.970 17.301 1.00 0.00 N ATOM 288 CA GLU A 18 33.662 47.327 17.683 1.00 0.00 C ATOM 289 C GLU A 18 33.947 46.139 18.603 1.00 0.00 C ATOM 290 O GLU A 18 34.965 45.476 18.417 1.00 0.00 O ATOM 291 CB GLU A 18 32.902 46.867 16.442 1.00 0.00 C ATOM 292 CG GLU A 18 32.360 47.999 15.574 1.00 0.00 C ATOM 293 CD GLU A 18 30.903 48.349 15.880 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.101 48.414 14.924 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.536 48.555 17.058 1.00 0.00 O ATOM 0 H GLU A 18 35.327 47.580 16.459 1.00 0.00 H new ATOM 0 HA GLU A 18 33.045 48.046 18.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.563 46.247 15.836 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.070 46.236 16.754 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.978 48.886 15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.446 47.717 14.525 1.00 0.00 H new ATOM 302 N PRO A 19 33.078 45.777 19.541 1.00 0.00 N ATOM 303 CA PRO A 19 33.246 44.576 20.335 1.00 0.00 C ATOM 304 C PRO A 19 33.365 43.287 19.520 1.00 0.00 C ATOM 305 O PRO A 19 33.978 42.317 19.961 1.00 0.00 O ATOM 306 CB PRO A 19 32.031 44.519 21.256 1.00 0.00 C ATOM 307 CG PRO A 19 31.615 45.979 21.403 1.00 0.00 C ATOM 308 CD PRO A 19 31.961 46.557 20.034 1.00 0.00 C ATOM 0 HA PRO A 19 34.191 44.634 20.875 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.231 43.917 20.825 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.280 44.075 22.220 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.553 46.078 21.629 1.00 0.00 H new ATOM 0 HG3 PRO A 19 32.160 46.478 22.204 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.110 46.491 19.356 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.226 47.612 20.111 1.00 0.00 H new ATOM 316 N SER A 20 32.794 43.287 18.318 1.00 0.00 N ATOM 317 CA SER A 20 32.870 42.239 17.321 1.00 0.00 C ATOM 318 C SER A 20 34.197 42.149 16.565 1.00 0.00 C ATOM 319 O SER A 20 34.363 41.231 15.765 1.00 0.00 O ATOM 320 CB SER A 20 31.699 42.426 16.361 1.00 0.00 C ATOM 321 OG SER A 20 31.638 43.734 15.837 1.00 0.00 O ATOM 0 H SER A 20 32.230 44.075 18.000 1.00 0.00 H new ATOM 0 HA SER A 20 32.813 41.286 17.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.787 41.713 15.541 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.767 42.202 16.880 1.00 0.00 H new ATOM 0 HG SER A 20 30.875 43.807 15.227 1.00 0.00 H new ATOM 327 N ASP A 21 35.143 43.059 16.782 1.00 0.00 N ATOM 328 CA ASP A 21 36.482 43.000 16.231 1.00 0.00 C ATOM 329 C ASP A 21 37.378 42.022 16.994 1.00 0.00 C ATOM 330 O ASP A 21 37.193 41.788 18.186 1.00 0.00 O ATOM 331 CB ASP A 21 37.121 44.384 16.182 1.00 0.00 C ATOM 332 CG ASP A 21 36.465 45.371 15.214 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.760 44.958 14.268 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.740 46.584 15.340 1.00 0.00 O ATOM 0 H ASP A 21 34.988 43.881 17.365 1.00 0.00 H new ATOM 0 HA ASP A 21 36.385 42.628 15.211 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.098 44.813 17.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.170 44.273 15.907 1.00 0.00 H new ATOM 339 N THR A 22 38.368 41.442 16.321 1.00 0.00 N ATOM 340 CA THR A 22 39.261 40.472 16.921 1.00 0.00 C ATOM 341 C THR A 22 40.419 41.089 17.708 1.00 0.00 C ATOM 342 O THR A 22 40.767 42.254 17.521 1.00 0.00 O ATOM 343 CB THR A 22 39.779 39.432 15.932 1.00 0.00 C ATOM 344 OG1 THR A 22 40.746 39.957 15.050 1.00 0.00 O ATOM 345 CG2 THR A 22 38.679 38.791 15.090 1.00 0.00 C ATOM 0 H THR A 22 38.569 41.637 15.340 1.00 0.00 H new ATOM 0 HA THR A 22 38.628 39.956 17.643 1.00 0.00 H new ATOM 0 HB THR A 22 40.229 38.670 16.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.395 40.767 14.624 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.120 38.062 14.410 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.965 38.291 15.744 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.166 39.561 14.514 1.00 0.00 H new ATOM 353 N ILE A 23 41.093 40.303 18.543 1.00 0.00 N ATOM 354 CA ILE A 23 42.317 40.713 19.201 1.00 0.00 C ATOM 355 C ILE A 23 43.404 41.059 18.181 1.00 0.00 C ATOM 356 O ILE A 23 44.133 42.027 18.383 1.00 0.00 O ATOM 357 CB ILE A 23 42.766 39.649 20.197 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.747 39.381 21.302 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.124 39.962 20.820 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.216 40.603 22.047 1.00 0.00 C ATOM 0 H ILE A 23 40.797 39.356 18.780 1.00 0.00 H new ATOM 0 HA ILE A 23 42.124 41.625 19.766 1.00 0.00 H new ATOM 0 HB ILE A 23 42.856 38.742 19.600 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.900 38.853 20.865 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.201 38.708 22.029 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.394 39.172 21.521 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.878 40.025 20.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.071 40.913 21.349 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.501 40.284 22.806 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.044 41.126 22.525 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.723 41.273 21.342 1.00 0.00 H new ATOM 372 N GLU A 24 43.474 40.369 17.046 1.00 0.00 N ATOM 373 CA GLU A 24 44.387 40.733 15.981 1.00 0.00 C ATOM 374 C GLU A 24 43.999 42.045 15.295 1.00 0.00 C ATOM 375 O GLU A 24 44.871 42.867 15.019 1.00 0.00 O ATOM 376 CB GLU A 24 44.518 39.569 15.003 1.00 0.00 C ATOM 377 CG GLU A 24 45.690 39.745 14.040 1.00 0.00 C ATOM 378 CD GLU A 24 45.973 38.432 13.308 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.223 38.074 12.374 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.933 37.729 13.690 1.00 0.00 O ATOM 0 H GLU A 24 42.902 39.549 16.845 1.00 0.00 H new ATOM 0 HA GLU A 24 45.367 40.926 16.416 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.647 38.642 15.562 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.594 39.472 14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.463 40.530 13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.577 40.063 14.589 1.00 0.00 H new ATOM 387 N ASN A 25 42.709 42.316 15.124 1.00 0.00 N ATOM 388 CA ASN A 25 42.241 43.618 14.693 1.00 0.00 C ATOM 389 C ASN A 25 42.653 44.723 15.669 1.00 0.00 C ATOM 390 O ASN A 25 43.058 45.798 15.233 1.00 0.00 O ATOM 391 CB ASN A 25 40.725 43.623 14.516 1.00 0.00 C ATOM 392 CG ASN A 25 40.200 42.855 13.301 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.615 41.783 13.445 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.364 43.394 12.097 1.00 0.00 N ATOM 0 H ASN A 25 41.964 41.637 15.281 1.00 0.00 H new ATOM 0 HA ASN A 25 42.712 43.822 13.731 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.271 43.203 15.413 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.389 44.657 14.443 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.002 42.917 11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.852 44.284 11.999 1.00 0.00 H new ATOM 401 N VAL A 26 42.597 44.481 16.975 1.00 0.00 N ATOM 402 CA VAL A 26 43.056 45.413 17.986 1.00 0.00 C ATOM 403 C VAL A 26 44.572 45.610 17.929 1.00 0.00 C ATOM 404 O VAL A 26 45.027 46.752 17.948 1.00 0.00 O ATOM 405 CB VAL A 26 42.578 44.985 19.370 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.197 45.798 20.504 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.064 45.139 19.486 1.00 0.00 C ATOM 0 H VAL A 26 42.224 43.614 17.362 1.00 0.00 H new ATOM 0 HA VAL A 26 42.614 46.387 17.775 1.00 0.00 H new ATOM 0 HB VAL A 26 42.889 43.945 19.471 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.813 45.441 21.460 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.281 45.685 20.483 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.940 46.850 20.380 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.742 44.829 20.480 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.791 46.182 19.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.576 44.516 18.736 1.00 0.00 H new ATOM 417 N LYS A 27 45.363 44.553 17.764 1.00 0.00 N ATOM 418 CA LYS A 27 46.792 44.654 17.552 1.00 0.00 C ATOM 419 C LYS A 27 47.138 45.506 16.329 1.00 0.00 C ATOM 420 O LYS A 27 48.046 46.330 16.406 1.00 0.00 O ATOM 421 CB LYS A 27 47.435 43.277 17.414 1.00 0.00 C ATOM 422 CG LYS A 27 47.523 42.482 18.714 1.00 0.00 C ATOM 423 CD LYS A 27 48.185 41.139 18.422 1.00 0.00 C ATOM 424 CE LYS A 27 48.484 40.341 19.688 1.00 0.00 C ATOM 425 NZ LYS A 27 49.284 39.155 19.351 1.00 0.00 N ATOM 0 H LYS A 27 45.019 43.593 17.775 1.00 0.00 H new ATOM 0 HA LYS A 27 47.195 45.148 18.436 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.867 42.697 16.687 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.440 43.399 17.010 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.100 43.034 19.456 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.528 42.330 19.132 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.535 40.552 17.773 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.113 41.307 17.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.023 40.963 20.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.553 40.039 20.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.571 38.670 20.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.717 38.508 18.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.131 39.446 18.823 1.00 0.00 H new ATOM 439 N ALA A 28 46.395 45.373 15.234 1.00 0.00 N ATOM 440 CA ALA A 28 46.590 46.174 14.043 1.00 0.00 C ATOM 441 C ALA A 28 46.299 47.658 14.269 1.00 0.00 C ATOM 442 O ALA A 28 47.038 48.508 13.776 1.00 0.00 O ATOM 443 CB ALA A 28 45.739 45.590 12.918 1.00 0.00 C ATOM 0 H ALA A 28 45.635 44.698 15.154 1.00 0.00 H new ATOM 0 HA ALA A 28 47.643 46.132 13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.875 46.183 12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.045 44.561 12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.689 45.608 13.209 1.00 0.00 H new ATOM 449 N LYS A 29 45.296 47.990 15.077 1.00 0.00 N ATOM 450 CA LYS A 29 44.993 49.349 15.478 1.00 0.00 C ATOM 451 C LYS A 29 46.043 49.939 16.422 1.00 0.00 C ATOM 452 O LYS A 29 46.309 51.136 16.342 1.00 0.00 O ATOM 453 CB LYS A 29 43.613 49.418 16.125 1.00 0.00 C ATOM 454 CG LYS A 29 42.442 49.142 15.187 1.00 0.00 C ATOM 455 CD LYS A 29 42.233 50.231 14.138 1.00 0.00 C ATOM 456 CE LYS A 29 41.034 49.869 13.264 1.00 0.00 C ATOM 457 NZ LYS A 29 40.820 50.852 12.191 1.00 0.00 N ATOM 0 H LYS A 29 44.660 47.301 15.477 1.00 0.00 H new ATOM 0 HA LYS A 29 45.004 49.952 14.570 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.578 48.701 16.945 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.483 50.408 16.561 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.607 48.190 14.683 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.531 49.037 15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.066 51.192 14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 29 43.127 50.336 13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.188 48.882 12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.139 49.807 13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.997 50.570 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.647 51.789 12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.664 50.893 11.584 1.00 0.00 H new ATOM 471 N ILE A 30 46.667 49.130 17.273 1.00 0.00 N ATOM 472 CA ILE A 30 47.802 49.530 18.081 1.00 0.00 C ATOM 473 C ILE A 30 49.035 49.773 17.208 1.00 0.00 C ATOM 474 O ILE A 30 49.718 50.777 17.397 1.00 0.00 O ATOM 475 CB ILE A 30 48.050 48.524 19.201 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.900 48.537 20.204 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.368 48.785 19.924 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.873 47.332 21.140 1.00 0.00 C ATOM 0 H ILE A 30 46.388 48.160 17.419 1.00 0.00 H new ATOM 0 HA ILE A 30 47.575 50.481 18.563 1.00 0.00 H new ATOM 0 HB ILE A 30 48.111 47.540 18.735 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.964 49.446 20.802 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.957 48.580 19.658 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.503 48.045 20.713 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.192 48.714 19.215 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.351 49.783 20.362 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.026 47.419 21.820 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.776 46.418 20.554 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.798 47.297 21.715 1.00 0.00 H new ATOM 490 N GLN A 31 49.303 48.928 16.217 1.00 0.00 N ATOM 491 CA GLN A 31 50.403 49.123 15.294 1.00 0.00 C ATOM 492 C GLN A 31 50.259 50.429 14.509 1.00 0.00 C ATOM 493 O GLN A 31 51.254 51.126 14.329 1.00 0.00 O ATOM 494 CB GLN A 31 50.554 47.924 14.364 1.00 0.00 C ATOM 495 CG GLN A 31 51.849 48.016 13.563 1.00 0.00 C ATOM 496 CD GLN A 31 52.122 46.836 12.627 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.254 46.038 12.280 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.361 46.696 12.166 1.00 0.00 N ATOM 0 H GLN A 31 48.757 48.086 16.035 1.00 0.00 H new ATOM 0 HA GLN A 31 51.317 49.205 15.883 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.547 47.003 14.947 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.704 47.877 13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.827 48.931 12.971 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.683 48.107 14.259 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.088 47.354 12.449 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.585 45.931 11.530 1.00 0.00 H new ATOM 507 N ASP A 32 49.051 50.811 14.106 1.00 0.00 N ATOM 508 CA ASP A 32 48.817 52.024 13.350 1.00 0.00 C ATOM 509 C ASP A 32 49.283 53.304 14.044 1.00 0.00 C ATOM 510 O ASP A 32 49.726 54.217 13.351 1.00 0.00 O ATOM 511 CB ASP A 32 47.336 52.109 12.989 1.00 0.00 C ATOM 512 CG ASP A 32 47.042 53.259 12.024 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.685 53.323 10.954 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.135 54.070 12.314 1.00 0.00 O ATOM 0 H ASP A 32 48.203 50.278 14.300 1.00 0.00 H new ATOM 0 HA ASP A 32 49.429 51.957 12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.019 51.169 12.538 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.749 52.241 13.898 1.00 0.00 H new ATOM 519 N LYS A 33 49.226 53.373 15.372 1.00 0.00 N ATOM 520 CA LYS A 33 49.624 54.536 16.139 1.00 0.00 C ATOM 521 C LYS A 33 50.836 54.403 17.062 1.00 0.00 C ATOM 522 O LYS A 33 51.406 55.440 17.393 1.00 0.00 O ATOM 523 CB LYS A 33 48.420 55.177 16.824 1.00 0.00 C ATOM 524 CG LYS A 33 47.663 54.282 17.801 1.00 0.00 C ATOM 525 CD LYS A 33 46.688 55.051 18.688 1.00 0.00 C ATOM 526 CE LYS A 33 45.751 55.975 17.915 1.00 0.00 C ATOM 527 NZ LYS A 33 44.857 56.717 18.815 1.00 0.00 N ATOM 0 H LYS A 33 48.894 52.602 15.951 1.00 0.00 H new ATOM 0 HA LYS A 33 50.016 55.216 15.382 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.759 56.064 17.360 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.725 55.515 16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.115 53.525 17.240 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.380 53.755 18.431 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.092 54.339 19.259 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.254 55.642 19.408 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.338 56.678 17.324 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.157 55.388 17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.107 57.175 18.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.430 56.060 19.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.401 57.442 19.325 1.00 0.00 H new ATOM 541 N GLU A 34 51.266 53.209 17.461 1.00 0.00 N ATOM 542 CA GLU A 34 52.454 52.993 18.262 1.00 0.00 C ATOM 543 C GLU A 34 53.480 52.043 17.641 1.00 0.00 C ATOM 544 O GLU A 34 54.569 51.888 18.191 1.00 0.00 O ATOM 545 CB GLU A 34 52.083 52.563 19.678 1.00 0.00 C ATOM 546 CG GLU A 34 51.714 53.712 20.614 1.00 0.00 C ATOM 547 CD GLU A 34 52.906 54.591 20.993 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.752 54.177 21.815 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.009 55.729 20.483 1.00 0.00 O ATOM 0 H GLU A 34 50.779 52.344 17.226 1.00 0.00 H new ATOM 0 HA GLU A 34 52.957 53.959 18.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.243 51.870 19.625 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.921 52.015 20.109 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.953 54.330 20.137 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.270 53.303 21.522 1.00 0.00 H new ATOM 556 N GLY A 35 53.206 51.418 16.501 1.00 0.00 N ATOM 557 CA GLY A 35 54.229 50.827 15.661 1.00 0.00 C ATOM 558 C GLY A 35 54.788 49.461 16.064 1.00 0.00 C ATOM 559 O GLY A 35 55.775 49.040 15.465 1.00 0.00 O ATOM 0 H GLY A 35 52.260 51.309 16.136 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.823 50.738 14.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.063 51.527 15.608 1.00 0.00 H new ATOM 563 N ILE A 36 54.198 48.747 17.018 1.00 0.00 N ATOM 564 CA ILE A 36 54.628 47.423 17.420 1.00 0.00 C ATOM 565 C ILE A 36 53.993 46.367 16.512 1.00 0.00 C ATOM 566 O ILE A 36 52.770 46.371 16.397 1.00 0.00 O ATOM 567 CB ILE A 36 54.303 47.127 18.881 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.635 48.257 19.853 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.057 45.874 19.319 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.438 49.163 20.130 1.00 0.00 C ATOM 0 H ILE A 36 53.390 49.085 17.541 1.00 0.00 H new ATOM 0 HA ILE A 36 55.713 47.388 17.318 1.00 0.00 H new ATOM 0 HB ILE A 36 53.222 46.995 18.921 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.989 47.831 20.792 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.451 48.854 19.446 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.828 45.658 20.363 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.753 45.031 18.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.129 46.037 19.209 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.730 49.949 20.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.099 49.613 19.197 1.00 0.00 H new ATOM 0 HD13 ILE A 36 52.629 48.575 20.564 1.00 0.00 H new ATOM 582 N PRO A 37 54.731 45.438 15.909 1.00 0.00 N ATOM 583 CA PRO A 37 54.143 44.379 15.114 1.00 0.00 C ATOM 584 C PRO A 37 53.251 43.437 15.927 1.00 0.00 C ATOM 585 O PRO A 37 53.632 43.088 17.042 1.00 0.00 O ATOM 586 CB PRO A 37 55.306 43.619 14.485 1.00 0.00 C ATOM 587 CG PRO A 37 56.446 44.634 14.495 1.00 0.00 C ATOM 588 CD PRO A 37 56.173 45.413 15.779 1.00 0.00 C ATOM 0 HA PRO A 37 53.483 44.810 14.362 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.559 42.727 15.058 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.070 43.291 13.473 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.422 44.150 14.512 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.425 45.278 13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.637 44.930 16.639 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.581 46.422 15.721 1.00 0.00 H new ATOM 596 N PRO A 38 52.120 42.966 15.410 1.00 0.00 N ATOM 597 CA PRO A 38 51.239 42.033 16.083 1.00 0.00 C ATOM 598 C PRO A 38 51.889 40.761 16.633 1.00 0.00 C ATOM 599 O PRO A 38 51.484 40.288 17.692 1.00 0.00 O ATOM 600 CB PRO A 38 50.158 41.686 15.063 1.00 0.00 C ATOM 601 CG PRO A 38 50.028 42.976 14.257 1.00 0.00 C ATOM 602 CD PRO A 38 51.468 43.480 14.223 1.00 0.00 C ATOM 0 HA PRO A 38 50.861 42.516 16.984 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.450 40.844 14.435 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.219 41.414 15.545 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.637 42.793 13.256 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.358 43.690 14.736 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.977 43.136 13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.496 44.570 14.208 1.00 0.00 H new ATOM 610 N ASP A 39 52.932 40.248 15.987 1.00 0.00 N ATOM 611 CA ASP A 39 53.704 39.122 16.473 1.00 0.00 C ATOM 612 C ASP A 39 54.498 39.423 17.745 1.00 0.00 C ATOM 613 O ASP A 39 54.777 38.503 18.509 1.00 0.00 O ATOM 614 CB ASP A 39 54.653 38.619 15.388 1.00 0.00 C ATOM 615 CG ASP A 39 53.951 37.783 14.316 1.00 0.00 C ATOM 616 OD1 ASP A 39 53.877 38.246 13.157 1.00 0.00 O ATOM 617 OD2 ASP A 39 53.502 36.661 14.634 1.00 0.00 O ATOM 0 H ASP A 39 53.266 40.614 15.095 1.00 0.00 H new ATOM 0 HA ASP A 39 52.977 38.351 16.729 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.139 39.472 14.914 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.439 38.021 15.850 1.00 0.00 H new ATOM 622 N GLN A 40 54.835 40.679 18.024 1.00 0.00 N ATOM 623 CA GLN A 40 55.551 41.071 19.220 1.00 0.00 C ATOM 624 C GLN A 40 54.657 41.656 20.315 1.00 0.00 C ATOM 625 O GLN A 40 55.108 41.786 21.451 1.00 0.00 O ATOM 626 CB GLN A 40 56.704 42.013 18.882 1.00 0.00 C ATOM 627 CG GLN A 40 57.679 41.504 17.823 1.00 0.00 C ATOM 628 CD GLN A 40 58.061 40.031 17.984 1.00 0.00 C ATOM 629 OE1 GLN A 40 57.758 39.195 17.135 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.725 39.621 19.061 1.00 0.00 N ATOM 0 H GLN A 40 54.611 41.462 17.410 1.00 0.00 H new ATOM 0 HA GLN A 40 55.960 40.151 19.639 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.288 42.961 18.542 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.262 42.219 19.796 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.236 41.648 16.837 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.585 42.109 17.857 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.990 40.291 19.783 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.969 38.636 19.165 1.00 0.00 H new ATOM 639 N GLN A 41 53.405 41.980 20.006 1.00 0.00 N ATOM 640 CA GLN A 41 52.445 42.454 20.983 1.00 0.00 C ATOM 641 C GLN A 41 51.877 41.303 21.818 1.00 0.00 C ATOM 642 O GLN A 41 51.199 40.430 21.281 1.00 0.00 O ATOM 643 CB GLN A 41 51.292 43.194 20.310 1.00 0.00 C ATOM 644 CG GLN A 41 51.659 44.517 19.645 1.00 0.00 C ATOM 645 CD GLN A 41 50.418 45.214 19.080 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.368 45.280 19.714 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.464 45.749 17.863 1.00 0.00 N ATOM 0 H GLN A 41 53.030 41.918 19.059 1.00 0.00 H new ATOM 0 HA GLN A 41 52.980 43.139 21.640 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.853 42.539 19.558 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.521 43.384 21.056 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.147 45.168 20.370 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.376 44.338 18.844 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.326 45.706 17.319 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.638 46.203 17.474 1.00 0.00 H new ATOM 656 N ARG A 42 52.060 41.355 23.134 1.00 0.00 N ATOM 657 CA ARG A 42 51.260 40.630 24.100 1.00 0.00 C ATOM 658 C ARG A 42 50.220 41.585 24.688 1.00 0.00 C ATOM 659 O ARG A 42 50.603 42.605 25.257 1.00 0.00 O ATOM 660 CB ARG A 42 52.179 40.047 25.168 1.00 0.00 C ATOM 661 CG ARG A 42 51.464 39.106 26.135 1.00 0.00 C ATOM 662 CD ARG A 42 52.251 38.866 27.421 1.00 0.00 C ATOM 663 NE ARG A 42 53.618 38.399 27.193 1.00 0.00 N ATOM 664 CZ ARG A 42 54.038 37.130 27.101 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.225 36.066 27.113 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.345 36.868 26.963 1.00 0.00 N ATOM 0 H ARG A 42 52.792 41.921 23.564 1.00 0.00 H new ATOM 0 HA ARG A 42 50.729 39.800 23.633 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.992 39.508 24.682 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.630 40.863 25.733 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.488 39.522 26.385 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.286 38.151 25.640 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.283 39.792 27.995 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.722 38.132 28.029 1.00 0.00 H new ATOM 0 HE ARG A 42 54.332 39.120 27.093 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.217 36.196 27.196 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.614 35.126 27.039 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.018 37.634 26.928 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.667 35.903 26.893 1.00 0.00 H new ATOM 680 N LEU A 43 48.932 41.272 24.572 1.00 0.00 N ATOM 681 CA LEU A 43 47.854 42.078 25.109 1.00 0.00 C ATOM 682 C LEU A 43 47.188 41.405 26.309 1.00 0.00 C ATOM 683 O LEU A 43 46.850 40.224 26.257 1.00 0.00 O ATOM 684 CB LEU A 43 46.841 42.423 24.020 1.00 0.00 C ATOM 685 CG LEU A 43 47.385 43.208 22.830 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.236 43.539 21.882 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.051 44.523 23.226 1.00 0.00 C ATOM 0 H LEU A 43 48.608 40.433 24.091 1.00 0.00 H new ATOM 0 HA LEU A 43 48.285 43.012 25.471 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.404 41.496 23.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.033 42.998 24.471 1.00 0.00 H new ATOM 0 HG LEU A 43 48.139 42.576 22.361 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.618 44.100 21.029 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.776 42.615 21.532 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.492 44.139 22.407 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.415 45.030 22.332 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.326 45.159 23.734 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.888 44.320 23.895 1.00 0.00 H new ATOM 699 N ILE A 44 46.995 42.166 27.384 1.00 0.00 N ATOM 700 CA ILE A 44 46.440 41.732 28.650 1.00 0.00 C ATOM 701 C ILE A 44 45.226 42.583 29.028 1.00 0.00 C ATOM 702 O ILE A 44 45.231 43.797 28.836 1.00 0.00 O ATOM 703 CB ILE A 44 47.527 41.740 29.720 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.588 40.683 29.423 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.980 41.551 31.132 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.808 40.710 30.340 1.00 0.00 C ATOM 0 H ILE A 44 47.238 43.157 27.388 1.00 0.00 H new ATOM 0 HA ILE A 44 46.080 40.707 28.561 1.00 0.00 H new ATOM 0 HB ILE A 44 47.981 42.730 29.685 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.125 39.698 29.490 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.924 40.808 28.394 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.803 41.566 31.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.284 42.357 31.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.462 40.594 31.196 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.501 39.922 30.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.303 41.677 30.258 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.492 40.550 31.371 1.00 0.00 H new ATOM 718 N PHE A 45 44.207 41.957 29.611 1.00 0.00 N ATOM 719 CA PHE A 45 43.104 42.607 30.288 1.00 0.00 C ATOM 720 C PHE A 45 42.738 41.851 31.567 1.00 0.00 C ATOM 721 O PHE A 45 42.681 40.623 31.554 1.00 0.00 O ATOM 722 CB PHE A 45 41.894 42.696 29.362 1.00 0.00 C ATOM 723 CG PHE A 45 40.685 43.332 30.004 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.628 44.724 30.145 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.653 42.538 30.521 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.565 45.318 30.836 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.587 43.133 31.204 1.00 0.00 C ATOM 728 CZ PHE A 45 38.543 44.523 31.368 1.00 0.00 C ATOM 0 H PHE A 45 44.130 40.940 29.621 1.00 0.00 H new ATOM 0 HA PHE A 45 43.413 43.616 30.560 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.167 43.268 28.476 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.631 41.693 29.025 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.406 45.341 29.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.680 41.466 30.392 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.533 46.391 30.959 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.795 42.518 31.606 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.724 44.980 31.903 1.00 0.00 H new ATOM 738 N ALA A 46 42.462 42.568 32.652 1.00 0.00 N ATOM 739 CA ALA A 46 42.089 42.020 33.942 1.00 0.00 C ATOM 740 C ALA A 46 42.984 40.867 34.398 1.00 0.00 C ATOM 741 O ALA A 46 42.509 39.803 34.789 1.00 0.00 O ATOM 742 CB ALA A 46 40.596 41.704 33.936 1.00 0.00 C ATOM 0 H ALA A 46 42.495 43.587 32.651 1.00 0.00 H new ATOM 0 HA ALA A 46 42.264 42.773 34.710 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.308 41.291 34.903 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.032 42.617 33.748 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.381 40.977 33.153 1.00 0.00 H new ATOM 748 N GLY A 47 44.296 41.048 34.275 1.00 0.00 N ATOM 749 CA GLY A 47 45.300 40.083 34.674 1.00 0.00 C ATOM 750 C GLY A 47 45.473 38.858 33.774 1.00 0.00 C ATOM 751 O GLY A 47 46.298 38.010 34.110 1.00 0.00 O ATOM 0 H GLY A 47 44.696 41.900 33.882 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.259 40.597 34.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.058 39.736 35.678 1.00 0.00 H new ATOM 755 N LYS A 48 44.763 38.745 32.655 1.00 0.00 N ATOM 756 CA LYS A 48 44.845 37.648 31.712 1.00 0.00 C ATOM 757 C LYS A 48 45.225 38.098 30.300 1.00 0.00 C ATOM 758 O LYS A 48 44.762 39.131 29.824 1.00 0.00 O ATOM 759 CB LYS A 48 43.502 36.925 31.649 1.00 0.00 C ATOM 760 CG LYS A 48 43.245 35.980 32.818 1.00 0.00 C ATOM 761 CD LYS A 48 41.815 35.447 32.828 1.00 0.00 C ATOM 762 CE LYS A 48 41.304 34.921 31.490 1.00 0.00 C ATOM 763 NZ LYS A 48 42.069 33.765 30.995 1.00 0.00 N ATOM 0 H LYS A 48 44.084 39.453 32.373 1.00 0.00 H new ATOM 0 HA LYS A 48 45.633 36.986 32.071 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.704 37.667 31.614 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.451 36.358 30.720 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.942 35.143 32.766 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.443 36.502 33.754 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.749 34.645 33.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.151 36.243 33.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.256 34.639 31.593 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.347 35.721 30.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.676 33.453 30.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.065 34.037 30.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.008 32.988 31.683 1.00 0.00 H new ATOM 777 N GLN A 49 45.995 37.272 29.597 1.00 0.00 N ATOM 778 CA GLN A 49 46.354 37.447 28.204 1.00 0.00 C ATOM 779 C GLN A 49 45.156 37.221 27.280 1.00 0.00 C ATOM 780 O GLN A 49 44.339 36.333 27.513 1.00 0.00 O ATOM 781 CB GLN A 49 47.521 36.517 27.884 1.00 0.00 C ATOM 782 CG GLN A 49 48.086 36.673 26.475 1.00 0.00 C ATOM 783 CD GLN A 49 49.280 35.739 26.269 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.404 36.012 26.686 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.089 34.560 25.683 1.00 0.00 N ATOM 0 H GLN A 49 46.400 36.429 30.005 1.00 0.00 H new ATOM 0 HA GLN A 49 46.666 38.477 28.031 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.320 36.696 28.604 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.195 35.486 28.019 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.312 36.451 25.740 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.393 37.706 26.312 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.166 34.310 25.329 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.866 33.906 25.588 1.00 0.00 H new ATOM 794 N LEU A 50 45.081 37.997 26.202 1.00 0.00 N ATOM 795 CA LEU A 50 44.063 37.917 25.174 1.00 0.00 C ATOM 796 C LEU A 50 44.634 37.304 23.894 1.00 0.00 C ATOM 797 O LEU A 50 45.765 37.593 23.509 1.00 0.00 O ATOM 798 CB LEU A 50 43.478 39.304 24.921 1.00 0.00 C ATOM 799 CG LEU A 50 42.973 40.052 26.152 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.399 41.391 25.699 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.889 39.286 26.905 1.00 0.00 C ATOM 0 H LEU A 50 45.764 38.732 26.019 1.00 0.00 H new ATOM 0 HA LEU A 50 43.259 37.264 25.514 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.240 39.915 24.436 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.652 39.205 24.216 1.00 0.00 H new ATOM 0 HG LEU A 50 43.815 40.179 26.832 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.032 41.941 26.565 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.177 41.971 25.203 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.577 41.218 25.004 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.568 39.866 27.770 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.038 39.117 26.245 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.286 38.327 27.238 1.00 0.00 H new ATOM 813 N GLU A 51 43.858 36.449 23.233 1.00 0.00 N ATOM 814 CA GLU A 51 44.310 35.550 22.192 1.00 0.00 C ATOM 815 C GLU A 51 43.791 35.945 20.808 1.00 0.00 C ATOM 816 O GLU A 51 42.625 36.300 20.649 1.00 0.00 O ATOM 817 CB GLU A 51 43.916 34.126 22.575 1.00 0.00 C ATOM 818 CG GLU A 51 44.415 33.645 23.935 1.00 0.00 C ATOM 819 CD GLU A 51 45.936 33.605 24.099 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.667 33.450 23.098 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.425 33.662 25.248 1.00 0.00 O ATOM 0 H GLU A 51 42.859 36.366 23.420 1.00 0.00 H new ATOM 0 HA GLU A 51 45.395 35.614 22.114 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.829 34.053 22.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.291 33.446 21.810 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.000 34.295 24.706 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.021 32.645 24.115 1.00 0.00 H new ATOM 828 N ASP A 52 44.647 35.891 19.791 1.00 0.00 N ATOM 829 CA ASP A 52 44.480 36.555 18.514 1.00 0.00 C ATOM 830 C ASP A 52 43.190 36.232 17.757 1.00 0.00 C ATOM 831 O ASP A 52 42.640 37.105 17.091 1.00 0.00 O ATOM 832 CB ASP A 52 45.652 36.225 17.594 1.00 0.00 C ATOM 833 CG ASP A 52 47.001 36.744 18.099 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.381 37.897 17.799 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.721 35.982 18.780 1.00 0.00 O ATOM 0 H ASP A 52 45.514 35.357 19.844 1.00 0.00 H new ATOM 0 HA ASP A 52 44.432 37.613 18.772 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.712 35.144 17.472 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.457 36.647 16.608 1.00 0.00 H new ATOM 840 N GLY A 53 42.703 34.997 17.841 1.00 0.00 N ATOM 841 CA GLY A 53 41.549 34.522 17.104 1.00 0.00 C ATOM 842 C GLY A 53 40.182 34.902 17.678 1.00 0.00 C ATOM 843 O GLY A 53 39.168 34.572 17.068 1.00 0.00 O ATOM 0 H GLY A 53 43.116 34.284 18.442 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.612 34.904 16.085 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.605 33.435 17.041 1.00 0.00 H new ATOM 847 N ARG A 54 40.134 35.554 18.836 1.00 0.00 N ATOM 848 CA ARG A 54 38.921 35.849 19.574 1.00 0.00 C ATOM 849 C ARG A 54 38.536 37.327 19.485 1.00 0.00 C ATOM 850 O ARG A 54 39.343 38.143 19.045 1.00 0.00 O ATOM 851 CB ARG A 54 39.057 35.371 21.016 1.00 0.00 C ATOM 852 CG ARG A 54 39.436 33.893 21.063 1.00 0.00 C ATOM 853 CD ARG A 54 39.167 33.258 22.424 1.00 0.00 C ATOM 854 NE ARG A 54 39.524 31.840 22.383 1.00 0.00 N ATOM 855 CZ ARG A 54 38.801 30.835 21.867 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.576 30.993 21.349 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.338 29.608 21.833 1.00 0.00 N ATOM 0 H ARG A 54 40.973 35.902 19.299 1.00 0.00 H new ATOM 0 HA ARG A 54 38.099 35.301 19.113 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.815 35.962 21.530 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.117 35.527 21.546 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.876 33.354 20.299 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.493 33.785 20.819 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.746 33.767 23.195 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.116 33.371 22.688 1.00 0.00 H new ATOM 0 HE ARG A 54 40.423 31.587 22.793 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.144 31.917 21.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.075 30.189 20.971 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.279 29.453 22.195 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.806 28.829 21.445 1.00 0.00 H new ATOM 871 N THR A 55 37.313 37.670 19.879 1.00 0.00 N ATOM 872 CA THR A 55 36.782 39.019 19.854 1.00 0.00 C ATOM 873 C THR A 55 36.677 39.646 21.246 1.00 0.00 C ATOM 874 O THR A 55 36.657 38.942 22.253 1.00 0.00 O ATOM 875 CB THR A 55 35.430 39.095 19.152 1.00 0.00 C ATOM 876 OG1 THR A 55 34.486 38.297 19.829 1.00 0.00 O ATOM 877 CG2 THR A 55 35.476 38.666 17.687 1.00 0.00 C ATOM 0 H THR A 55 36.645 36.988 20.236 1.00 0.00 H new ATOM 0 HA THR A 55 37.506 39.598 19.280 1.00 0.00 H new ATOM 0 HB THR A 55 35.141 40.146 19.174 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.745 37.354 19.761 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.479 38.746 17.253 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.163 39.312 17.140 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.819 37.633 17.621 1.00 0.00 H new ATOM 885 N LEU A 56 36.566 40.969 21.323 1.00 0.00 N ATOM 886 CA LEU A 56 36.368 41.657 22.583 1.00 0.00 C ATOM 887 C LEU A 56 35.077 41.230 23.282 1.00 0.00 C ATOM 888 O LEU A 56 35.072 41.072 24.500 1.00 0.00 O ATOM 889 CB LEU A 56 36.417 43.165 22.353 1.00 0.00 C ATOM 890 CG LEU A 56 37.751 43.718 21.861 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.629 45.228 21.680 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.900 43.455 22.831 1.00 0.00 C ATOM 0 H LEU A 56 36.611 41.588 20.513 1.00 0.00 H new ATOM 0 HA LEU A 56 37.177 41.377 23.257 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.646 43.428 21.628 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.160 43.665 23.287 1.00 0.00 H new ATOM 0 HG LEU A 56 37.976 43.210 20.923 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.579 45.630 21.328 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.850 45.445 20.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.370 45.689 22.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.822 43.872 22.425 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.681 43.924 23.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.019 42.381 22.971 1.00 0.00 H new ATOM 904 N SER A 57 34.014 40.944 22.533 1.00 0.00 N ATOM 905 CA SER A 57 32.797 40.333 23.027 1.00 0.00 C ATOM 906 C SER A 57 32.985 38.951 23.655 1.00 0.00 C ATOM 907 O SER A 57 32.307 38.645 24.633 1.00 0.00 O ATOM 908 CB SER A 57 31.787 40.203 21.889 1.00 0.00 C ATOM 909 OG SER A 57 31.279 41.471 21.544 1.00 0.00 O ATOM 0 H SER A 57 33.982 41.141 21.533 1.00 0.00 H new ATOM 0 HA SER A 57 32.444 40.996 23.817 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.262 39.745 21.022 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.971 39.546 22.190 1.00 0.00 H new ATOM 0 HG SER A 57 30.634 41.377 20.812 1.00 0.00 H new ATOM 915 N ASP A 58 33.912 38.127 23.173 1.00 0.00 N ATOM 916 CA ASP A 58 34.231 36.848 23.775 1.00 0.00 C ATOM 917 C ASP A 58 34.870 36.992 25.157 1.00 0.00 C ATOM 918 O ASP A 58 34.766 36.085 25.980 1.00 0.00 O ATOM 919 CB ASP A 58 35.163 36.031 22.884 1.00 0.00 C ATOM 920 CG ASP A 58 34.549 35.632 21.541 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.222 35.792 20.498 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.408 35.124 21.527 1.00 0.00 O ATOM 0 H ASP A 58 34.466 38.337 22.343 1.00 0.00 H new ATOM 0 HA ASP A 58 33.280 36.328 23.887 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.070 36.607 22.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.461 35.129 23.418 1.00 0.00 H new ATOM 927 N TYR A 59 35.488 38.139 25.426 1.00 0.00 N ATOM 928 CA TYR A 59 36.114 38.506 26.680 1.00 0.00 C ATOM 929 C TYR A 59 35.298 39.480 27.533 1.00 0.00 C ATOM 930 O TYR A 59 35.780 39.917 28.576 1.00 0.00 O ATOM 931 CB TYR A 59 37.511 39.049 26.396 1.00 0.00 C ATOM 932 CG TYR A 59 38.482 38.036 25.837 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.863 36.947 26.629 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.038 38.215 24.564 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.814 36.033 26.161 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.010 37.322 24.100 1.00 0.00 C ATOM 937 CZ TYR A 59 40.407 36.230 24.897 1.00 0.00 C ATOM 938 OH TYR A 59 41.374 35.381 24.448 1.00 0.00 O ATOM 0 H TYR A 59 35.566 38.878 24.727 1.00 0.00 H new ATOM 0 HA TYR A 59 36.175 37.601 27.285 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.428 39.878 25.693 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.923 39.455 27.320 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.421 36.811 27.605 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.718 39.039 23.943 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.092 35.182 26.765 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.457 37.470 23.128 1.00 0.00 H new ATOM 0 HH TYR A 59 41.226 34.488 24.825 1.00 0.00 H new ATOM 948 N ASN A 60 34.079 39.833 27.134 1.00 0.00 N ATOM 949 CA ASN A 60 33.241 40.803 27.807 1.00 0.00 C ATOM 950 C ASN A 60 33.885 42.181 27.974 1.00 0.00 C ATOM 951 O ASN A 60 33.627 42.885 28.947 1.00 0.00 O ATOM 952 CB ASN A 60 32.701 40.185 29.093 1.00 0.00 C ATOM 953 CG ASN A 60 31.450 40.876 29.638 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.743 41.587 28.926 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.113 40.667 30.907 1.00 0.00 N ATOM 0 H ASN A 60 33.639 39.434 26.305 1.00 0.00 H new ATOM 0 HA ASN A 60 32.391 41.033 27.165 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.473 39.135 28.911 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.481 40.215 29.854 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.270 41.096 31.288 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.698 40.078 31.500 1.00 0.00 H new ATOM 962 N ILE A 61 34.760 42.576 27.053 1.00 0.00 N ATOM 963 CA ILE A 61 35.473 43.837 27.072 1.00 0.00 C ATOM 964 C ILE A 61 34.596 44.923 26.445 1.00 0.00 C ATOM 965 O ILE A 61 33.921 44.698 25.444 1.00 0.00 O ATOM 966 CB ILE A 61 36.850 43.699 26.430 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.717 42.750 27.253 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.548 45.050 26.305 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.040 42.361 26.599 1.00 0.00 C ATOM 0 H ILE A 61 34.996 42.000 26.245 1.00 0.00 H new ATOM 0 HA ILE A 61 35.671 44.143 28.099 1.00 0.00 H new ATOM 0 HB ILE A 61 36.710 43.295 25.428 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.927 43.215 28.216 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.147 41.843 27.455 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.526 44.913 25.844 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.945 45.715 25.687 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.672 45.488 27.295 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.586 41.686 27.257 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.844 41.863 25.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.636 43.257 26.423 1.00 0.00 H new ATOM 981 N GLN A 62 34.562 46.093 27.077 1.00 0.00 N ATOM 982 CA GLN A 62 33.527 47.096 26.929 1.00 0.00 C ATOM 983 C GLN A 62 34.097 48.511 26.805 1.00 0.00 C ATOM 984 O GLN A 62 35.291 48.733 26.990 1.00 0.00 O ATOM 985 CB GLN A 62 32.594 46.979 28.131 1.00 0.00 C ATOM 986 CG GLN A 62 31.635 45.799 28.009 1.00 0.00 C ATOM 987 CD GLN A 62 30.983 45.467 29.353 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.052 46.126 29.811 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.498 44.463 30.057 1.00 0.00 N ATOM 0 H GLN A 62 35.290 46.374 27.734 1.00 0.00 H new ATOM 0 HA GLN A 62 32.982 46.918 26.002 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.187 46.869 29.039 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.021 47.900 28.234 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.863 46.031 27.276 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.174 44.927 27.639 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.271 43.917 29.676 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.120 44.239 30.978 1.00 0.00 H new ATOM 998 N LYS A 63 33.239 49.489 26.529 1.00 0.00 N ATOM 999 CA LYS A 63 33.590 50.892 26.442 1.00 0.00 C ATOM 1000 C LYS A 63 34.314 51.371 27.702 1.00 0.00 C ATOM 1001 O LYS A 63 33.898 51.042 28.811 1.00 0.00 O ATOM 1002 CB LYS A 63 32.298 51.660 26.174 1.00 0.00 C ATOM 1003 CG LYS A 63 32.480 53.162 25.974 1.00 0.00 C ATOM 1004 CD LYS A 63 31.181 53.841 25.548 1.00 0.00 C ATOM 1005 CE LYS A 63 30.035 53.551 26.513 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.805 54.272 26.152 1.00 0.00 N ATOM 0 H LYS A 63 32.249 49.315 26.355 1.00 0.00 H new ATOM 0 HA LYS A 63 34.296 51.067 25.630 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.821 51.244 25.286 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.615 51.498 27.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.837 53.611 26.901 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.246 53.337 25.219 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.339 54.918 25.487 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.907 53.502 24.549 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.835 52.480 26.525 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.334 53.831 27.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.055 54.044 26.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.986 55.296 26.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.503 53.987 25.199 1.00 0.00 H new ATOM 1020 N GLU A 64 35.401 52.117 27.532 1.00 0.00 N ATOM 1021 CA GLU A 64 36.336 52.544 28.554 1.00 0.00 C ATOM 1022 C GLU A 64 37.113 51.443 29.277 1.00 0.00 C ATOM 1023 O GLU A 64 37.810 51.723 30.251 1.00 0.00 O ATOM 1024 CB GLU A 64 35.705 53.551 29.513 1.00 0.00 C ATOM 1025 CG GLU A 64 35.283 54.856 28.844 1.00 0.00 C ATOM 1026 CD GLU A 64 34.596 55.811 29.821 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.003 55.901 30.999 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.642 56.504 29.407 1.00 0.00 O ATOM 0 H GLU A 64 35.666 52.461 26.609 1.00 0.00 H new ATOM 0 HA GLU A 64 37.120 53.050 27.990 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.833 53.095 29.982 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.415 53.775 30.309 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.160 55.344 28.418 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.607 54.636 28.017 1.00 0.00 H new ATOM 1035 N SER A 65 37.079 50.192 28.827 1.00 0.00 N ATOM 1036 CA SER A 65 37.984 49.170 29.312 1.00 0.00 C ATOM 1037 C SER A 65 39.421 49.449 28.867 1.00 0.00 C ATOM 1038 O SER A 65 39.654 49.952 27.771 1.00 0.00 O ATOM 1039 CB SER A 65 37.548 47.779 28.859 1.00 0.00 C ATOM 1040 OG SER A 65 36.356 47.397 29.507 1.00 0.00 O ATOM 0 H SER A 65 36.423 49.865 28.118 1.00 0.00 H new ATOM 0 HA SER A 65 37.950 49.198 30.401 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.399 47.772 27.779 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.334 47.056 29.077 1.00 0.00 H new ATOM 0 HG SER A 65 36.335 46.422 29.606 1.00 0.00 H new ATOM 1046 N THR A 66 40.396 49.095 29.700 1.00 0.00 N ATOM 1047 CA THR A 66 41.801 49.387 29.503 1.00 0.00 C ATOM 1048 C THR A 66 42.640 48.120 29.328 1.00 0.00 C ATOM 1049 O THR A 66 42.771 47.319 30.252 1.00 0.00 O ATOM 1050 CB THR A 66 42.348 50.229 30.653 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.579 51.402 30.806 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.778 50.684 30.375 1.00 0.00 C ATOM 0 H THR A 66 40.216 48.578 30.561 1.00 0.00 H new ATOM 0 HA THR A 66 41.876 49.958 28.578 1.00 0.00 H new ATOM 0 HB THR A 66 42.312 49.605 31.546 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.937 51.934 31.547 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.139 51.281 31.212 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.419 49.812 30.248 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.798 51.284 29.465 1.00 0.00 H new ATOM 1060 N LEU A 67 43.241 47.955 28.153 1.00 0.00 N ATOM 1061 CA LEU A 67 44.200 46.911 27.858 1.00 0.00 C ATOM 1062 C LEU A 67 45.603 47.309 28.324 1.00 0.00 C ATOM 1063 O LEU A 67 45.921 48.492 28.411 1.00 0.00 O ATOM 1064 CB LEU A 67 44.221 46.595 26.365 1.00 0.00 C ATOM 1065 CG LEU A 67 42.875 46.316 25.701 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.084 45.950 24.234 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.122 45.166 26.364 1.00 0.00 C ATOM 0 H LEU A 67 43.063 48.568 27.358 1.00 0.00 H new ATOM 0 HA LEU A 67 43.891 46.018 28.401 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.688 47.433 25.847 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.862 45.727 26.211 1.00 0.00 H new ATOM 0 HG LEU A 67 42.285 47.227 25.804 1.00 0.00 H new ATOM 0 HD11 LEU A 67 42.119 45.752 23.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.574 46.776 23.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.709 45.059 24.167 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.172 45.010 25.853 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.720 44.257 26.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.935 45.409 27.410 1.00 0.00 H new ATOM 1079 N HIS A 68 46.467 46.328 28.569 1.00 0.00 N ATOM 1080 CA HIS A 68 47.872 46.512 28.870 1.00 0.00 C ATOM 1081 C HIS A 68 48.712 45.803 27.806 1.00 0.00 C ATOM 1082 O HIS A 68 48.432 44.656 27.464 1.00 0.00 O ATOM 1083 CB HIS A 68 48.172 45.985 30.270 1.00 0.00 C ATOM 1084 CG HIS A 68 47.672 46.843 31.400 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.469 47.320 32.441 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.386 47.269 31.605 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.660 48.027 33.233 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.405 48.036 32.754 1.00 0.00 N ATOM 0 H HIS A 68 46.190 45.346 28.561 1.00 0.00 H new ATOM 0 HA HIS A 68 48.126 47.572 28.854 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.734 44.992 30.368 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.251 45.869 30.373 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.526 47.049 30.989 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.973 48.526 34.139 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.608 48.522 33.165 1.00 0.00 H new ATOM 1096 N LEU A 69 49.731 46.478 27.283 1.00 0.00 N ATOM 1097 CA LEU A 69 50.684 45.945 26.331 1.00 0.00 C ATOM 1098 C LEU A 69 51.964 45.491 27.035 1.00 0.00 C ATOM 1099 O LEU A 69 52.490 46.214 27.879 1.00 0.00 O ATOM 1100 CB LEU A 69 50.966 47.020 25.285 1.00 0.00 C ATOM 1101 CG LEU A 69 52.064 46.709 24.273 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.724 45.552 23.338 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.342 47.940 23.415 1.00 0.00 C ATOM 0 H LEU A 69 49.918 47.451 27.525 1.00 0.00 H new ATOM 0 HA LEU A 69 50.271 45.064 25.840 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.043 47.216 24.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.231 47.941 25.804 1.00 0.00 H new ATOM 0 HG LEU A 69 52.936 46.420 24.859 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.550 45.388 22.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.556 44.648 23.924 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.822 45.792 22.775 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.127 47.711 22.694 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.434 48.226 22.884 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.664 48.763 24.053 1.00 0.00 H new ATOM 1115 N VAL A 70 52.516 44.351 26.630 1.00 0.00 N ATOM 1116 CA VAL A 70 53.842 43.883 26.977 1.00 0.00 C ATOM 1117 C VAL A 70 54.567 43.468 25.695 1.00 0.00 C ATOM 1118 O VAL A 70 53.945 42.950 24.771 1.00 0.00 O ATOM 1119 CB VAL A 70 53.796 42.746 27.993 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.164 42.487 28.618 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.831 42.999 29.147 1.00 0.00 C ATOM 0 H VAL A 70 52.021 43.700 26.020 1.00 0.00 H new ATOM 0 HA VAL A 70 54.393 44.692 27.457 1.00 0.00 H new ATOM 0 HB VAL A 70 53.456 41.887 27.414 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.087 41.670 29.336 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.876 42.219 27.837 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.507 43.387 29.128 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.850 42.150 29.830 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.131 43.901 29.681 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.822 43.127 28.756 1.00 0.00 H new