USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -65:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.102 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.949 K(o=1.1,f=-0.33) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.31 (180deg=2.09) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 35:sc=7.17e-05 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= 0.979 (180deg=-0.131!) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0562) USER MOD Single : A 31 GLN : amide:sc= -0.135 K(o=-0.13,f=-4.9!) 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) USER MOD Single : A 41 GLN : amide:sc= 1.68 K(o=1.7,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.658 K(o=0.66,f=-5.8!) USER MOD Single : A 59 TYR OH : rot -161:sc= 1.54 USER MOD Single : A 60 ASN : amide:sc=-0.00628 K(o=-0.0063,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.981 51.937 19.698 1.00 0.00 N ATOM 2 CA MET A 1 33.244 52.350 21.085 1.00 0.00 C ATOM 3 C MET A 1 34.728 52.652 21.299 1.00 0.00 C ATOM 4 O MET A 1 35.578 52.020 20.676 1.00 0.00 O ATOM 5 CB MET A 1 32.744 51.343 22.118 1.00 0.00 C ATOM 6 CG MET A 1 33.351 49.949 22.002 1.00 0.00 C ATOM 7 SD MET A 1 32.664 48.772 23.194 1.00 0.00 S ATOM 8 CE MET A 1 33.786 47.381 22.904 1.00 0.00 C ATOM 0 H1 MET A 1 31.954 51.886 19.540 1.00 0.00 H new ATOM 0 H2 MET A 1 33.398 52.630 19.044 1.00 0.00 H new ATOM 0 H3 MET A 1 33.404 51.002 19.528 1.00 0.00 H new ATOM 0 HA MET A 1 32.673 53.265 21.241 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.953 51.733 23.114 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.661 51.260 22.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.188 49.571 20.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.429 50.016 22.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.514 46.552 23.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.710 47.063 21.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.810 47.689 23.116 1.00 0.00 H new ATOM 20 N GLN A 2 35.040 53.567 22.212 1.00 0.00 N ATOM 21 CA GLN A 2 36.391 53.874 22.637 1.00 0.00 C ATOM 22 C GLN A 2 36.854 52.917 23.736 1.00 0.00 C ATOM 23 O GLN A 2 36.099 52.622 24.660 1.00 0.00 O ATOM 24 CB GLN A 2 36.436 55.334 23.080 1.00 0.00 C ATOM 25 CG GLN A 2 37.822 55.813 23.503 1.00 0.00 C ATOM 26 CD GLN A 2 37.809 57.309 23.825 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.376 57.734 24.894 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.257 58.168 22.915 1.00 0.00 N ATOM 0 H GLN A 2 34.334 54.129 22.688 1.00 0.00 H new ATOM 0 HA GLN A 2 37.086 53.736 21.808 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.080 55.962 22.263 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.746 55.472 23.912 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.154 55.252 24.377 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.538 55.615 22.706 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.618 57.826 22.025 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.239 59.170 23.107 1.00 0.00 H new ATOM 37 N ILE A 3 38.110 52.484 23.676 1.00 0.00 N ATOM 38 CA ILE A 3 38.824 51.784 24.725 1.00 0.00 C ATOM 39 C ILE A 3 40.200 52.415 24.943 1.00 0.00 C ATOM 40 O ILE A 3 40.666 53.206 24.126 1.00 0.00 O ATOM 41 CB ILE A 3 38.911 50.286 24.450 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.683 49.964 23.173 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.521 49.654 24.434 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.021 48.486 22.994 1.00 0.00 C ATOM 0 H ILE A 3 38.684 52.623 22.844 1.00 0.00 H new ATOM 0 HA ILE A 3 38.259 51.889 25.651 1.00 0.00 H new ATOM 0 HB ILE A 3 39.479 49.847 25.270 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.097 50.296 22.316 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.609 50.539 23.169 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.609 48.586 24.236 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.041 49.805 25.401 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.919 50.119 23.653 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.569 48.348 22.062 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.635 48.150 23.829 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.100 47.903 22.963 1.00 0.00 H new ATOM 56 N PHE A 4 40.870 52.054 26.034 1.00 0.00 N ATOM 57 CA PHE A 4 42.162 52.589 26.414 1.00 0.00 C ATOM 58 C PHE A 4 43.263 51.527 26.394 1.00 0.00 C ATOM 59 O PHE A 4 43.079 50.413 26.883 1.00 0.00 O ATOM 60 CB PHE A 4 42.064 53.242 27.790 1.00 0.00 C ATOM 61 CG PHE A 4 40.989 54.291 27.946 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.896 55.357 27.044 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.079 54.200 29.007 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.879 56.308 27.185 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.077 55.165 29.162 1.00 0.00 C ATOM 66 CZ PHE A 4 38.966 56.213 28.241 1.00 0.00 C ATOM 0 H PHE A 4 40.514 51.361 26.693 1.00 0.00 H new ATOM 0 HA PHE A 4 42.441 53.340 25.674 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.893 52.461 28.530 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.026 53.698 28.024 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.610 55.446 26.238 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.151 53.382 29.708 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.799 57.119 26.476 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.389 55.101 29.992 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.179 56.945 28.345 1.00 0.00 H new ATOM 76 N VAL A 5 44.435 51.891 25.883 1.00 0.00 N ATOM 77 CA VAL A 5 45.629 51.069 25.908 1.00 0.00 C ATOM 78 C VAL A 5 46.731 51.789 26.689 1.00 0.00 C ATOM 79 O VAL A 5 46.923 52.990 26.512 1.00 0.00 O ATOM 80 CB VAL A 5 46.086 50.685 24.505 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.267 49.718 24.532 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.973 50.040 23.683 1.00 0.00 C ATOM 0 H VAL A 5 44.579 52.793 25.428 1.00 0.00 H new ATOM 0 HA VAL A 5 45.395 50.134 26.417 1.00 0.00 H new ATOM 0 HB VAL A 5 46.384 51.624 24.039 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.559 49.472 23.511 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.107 50.184 25.047 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.979 48.807 25.057 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.352 49.786 22.693 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.629 49.134 24.183 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.142 50.738 23.585 1.00 0.00 H new ATOM 92 N LYS A 6 47.443 51.063 27.545 1.00 0.00 N ATOM 93 CA LYS A 6 48.587 51.535 28.298 1.00 0.00 C ATOM 94 C LYS A 6 49.899 51.052 27.676 1.00 0.00 C ATOM 95 O LYS A 6 50.042 49.862 27.403 1.00 0.00 O ATOM 96 CB LYS A 6 48.471 51.110 29.759 1.00 0.00 C ATOM 97 CG LYS A 6 47.183 51.522 30.468 1.00 0.00 C ATOM 98 CD LYS A 6 46.967 53.022 30.646 1.00 0.00 C ATOM 99 CE LYS A 6 48.005 53.604 31.604 1.00 0.00 C ATOM 100 NZ LYS A 6 47.673 54.980 32.004 1.00 0.00 N ATOM 0 H LYS A 6 47.224 50.086 27.737 1.00 0.00 H new ATOM 0 HA LYS A 6 48.597 52.624 28.261 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.562 50.025 29.811 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.315 51.527 30.308 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.339 51.117 29.909 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.168 51.054 31.452 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.035 53.522 29.680 1.00 0.00 H new ATOM 0 HD3 LYS A 6 45.964 53.207 31.031 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.073 52.975 32.491 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.986 53.591 31.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.542 55.481 32.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.226 55.475 31.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.016 54.958 32.810 1.00 0.00 H new ATOM 168 N LYS A 11 51.881 55.594 29.496 1.00 0.00 N ATOM 169 CA LYS A 11 50.976 56.589 28.956 1.00 0.00 C ATOM 170 C LYS A 11 49.708 55.915 28.432 1.00 0.00 C ATOM 171 O LYS A 11 49.761 54.763 28.008 1.00 0.00 O ATOM 172 CB LYS A 11 51.696 57.377 27.865 1.00 0.00 C ATOM 173 CG LYS A 11 51.067 58.744 27.618 1.00 0.00 C ATOM 174 CD LYS A 11 51.697 59.460 26.426 1.00 0.00 C ATOM 175 CE LYS A 11 51.214 58.862 25.109 1.00 0.00 C ATOM 176 NZ LYS A 11 51.890 59.478 23.957 1.00 0.00 N ATOM 0 HA LYS A 11 50.672 57.286 29.737 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.741 57.507 28.146 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.684 56.803 26.939 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.998 58.624 27.444 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.178 59.360 28.510 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.447 60.520 26.461 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.783 59.386 26.486 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.397 57.787 25.107 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.137 59.002 25.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.538 59.048 23.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.695 60.499 23.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.916 59.322 24.032 1.00 0.00 H new ATOM 190 N THR A 12 48.584 56.626 28.424 1.00 0.00 N ATOM 191 CA THR A 12 47.354 56.156 27.817 1.00 0.00 C ATOM 192 C THR A 12 47.244 56.595 26.356 1.00 0.00 C ATOM 193 O THR A 12 47.583 57.729 26.024 1.00 0.00 O ATOM 194 CB THR A 12 46.128 56.629 28.595 1.00 0.00 C ATOM 195 OG1 THR A 12 46.278 56.348 29.969 1.00 0.00 O ATOM 196 CG2 THR A 12 44.856 55.901 28.169 1.00 0.00 C ATOM 0 H THR A 12 48.506 57.552 28.844 1.00 0.00 H new ATOM 0 HA THR A 12 47.385 55.067 27.849 1.00 0.00 H new ATOM 0 HB THR A 12 46.046 57.697 28.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.485 56.658 30.455 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.012 56.272 28.751 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.673 56.079 27.109 1.00 0.00 H new ATOM 0 HG23 THR A 12 44.974 54.831 28.342 1.00 0.00 H new ATOM 204 N ILE A 13 46.728 55.721 25.496 1.00 0.00 N ATOM 205 CA ILE A 13 46.309 56.013 24.140 1.00 0.00 C ATOM 206 C ILE A 13 44.894 55.492 23.876 1.00 0.00 C ATOM 207 O ILE A 13 44.467 54.514 24.485 1.00 0.00 O ATOM 208 CB ILE A 13 47.316 55.512 23.110 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.508 53.999 23.159 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.632 56.274 23.240 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.488 53.435 22.134 1.00 0.00 C ATOM 0 H ILE A 13 46.586 54.742 25.745 1.00 0.00 H new ATOM 0 HA ILE A 13 46.278 57.097 24.030 1.00 0.00 H new ATOM 0 HB ILE A 13 46.907 55.716 22.121 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.852 53.725 24.156 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.539 53.521 23.013 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.341 55.905 22.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.455 57.337 23.076 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.042 56.125 24.239 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.554 52.353 22.251 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.139 53.671 21.129 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.472 53.878 22.289 1.00 0.00 H new ATOM 223 N THR A 14 44.161 56.147 22.980 1.00 0.00 N ATOM 224 CA THR A 14 42.775 55.858 22.672 1.00 0.00 C ATOM 225 C THR A 14 42.611 55.030 21.394 1.00 0.00 C ATOM 226 O THR A 14 43.206 55.334 20.363 1.00 0.00 O ATOM 227 CB THR A 14 41.939 57.130 22.567 1.00 0.00 C ATOM 228 OG1 THR A 14 42.524 58.061 21.685 1.00 0.00 O ATOM 229 CG2 THR A 14 41.760 57.816 23.918 1.00 0.00 C ATOM 0 H THR A 14 44.535 56.921 22.432 1.00 0.00 H new ATOM 0 HA THR A 14 42.410 55.262 23.508 1.00 0.00 H new ATOM 0 HB THR A 14 40.967 56.812 22.189 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.957 57.584 20.946 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.158 58.716 23.792 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.257 57.137 24.607 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.736 58.085 24.321 1.00 0.00 H new ATOM 237 N LEU A 15 41.761 54.008 21.450 1.00 0.00 N ATOM 238 CA LEU A 15 41.460 53.125 20.341 1.00 0.00 C ATOM 239 C LEU A 15 39.950 53.036 20.110 1.00 0.00 C ATOM 240 O LEU A 15 39.197 52.873 21.069 1.00 0.00 O ATOM 241 CB LEU A 15 42.067 51.754 20.620 1.00 0.00 C ATOM 242 CG LEU A 15 42.624 51.038 19.393 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.945 51.660 18.947 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.887 49.572 19.723 1.00 0.00 C ATOM 0 H LEU A 15 41.249 53.769 22.299 1.00 0.00 H new ATOM 0 HA LEU A 15 41.897 53.524 19.426 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.868 51.869 21.351 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.306 51.122 21.078 1.00 0.00 H new ATOM 0 HG LEU A 15 41.887 51.130 18.595 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.319 51.130 18.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.787 52.709 18.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.673 51.585 19.755 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.284 49.067 18.843 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.609 49.506 20.537 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.955 49.094 20.026 1.00 0.00 H new ATOM 256 N GLU A 16 39.501 53.111 18.861 1.00 0.00 N ATOM 257 CA GLU A 16 38.104 53.043 18.482 1.00 0.00 C ATOM 258 C GLU A 16 37.805 51.710 17.795 1.00 0.00 C ATOM 259 O GLU A 16 38.331 51.426 16.720 1.00 0.00 O ATOM 260 CB GLU A 16 37.778 54.274 17.641 1.00 0.00 C ATOM 261 CG GLU A 16 36.440 54.278 16.908 1.00 0.00 C ATOM 262 CD GLU A 16 35.220 54.194 17.828 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.475 53.193 17.745 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.939 55.151 18.582 1.00 0.00 O ATOM 0 H GLU A 16 40.125 53.225 18.062 1.00 0.00 H new ATOM 0 HA GLU A 16 37.450 53.064 19.353 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.810 55.147 18.292 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.569 54.399 16.902 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.369 55.187 16.311 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.416 53.438 16.214 1.00 0.00 H new ATOM 271 N VAL A 17 36.975 50.872 18.410 1.00 0.00 N ATOM 272 CA VAL A 17 36.695 49.510 18.001 1.00 0.00 C ATOM 273 C VAL A 17 35.190 49.236 17.962 1.00 0.00 C ATOM 274 O VAL A 17 34.425 49.814 18.731 1.00 0.00 O ATOM 275 CB VAL A 17 37.397 48.498 18.901 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.914 48.623 18.796 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.001 48.598 20.371 1.00 0.00 C ATOM 0 H VAL A 17 36.458 51.143 19.246 1.00 0.00 H new ATOM 0 HA VAL A 17 37.089 49.394 16.991 1.00 0.00 H new ATOM 0 HB VAL A 17 37.068 47.525 18.536 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.386 47.889 19.449 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.223 48.445 17.766 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.218 49.625 19.098 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.542 47.846 20.946 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.249 49.590 20.748 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.929 48.429 20.471 1.00 0.00 H new ATOM 287 N GLU A 18 34.743 48.342 17.083 1.00 0.00 N ATOM 288 CA GLU A 18 33.362 47.906 17.063 1.00 0.00 C ATOM 289 C GLU A 18 33.138 46.769 18.062 1.00 0.00 C ATOM 290 O GLU A 18 34.046 45.965 18.265 1.00 0.00 O ATOM 291 CB GLU A 18 32.934 47.496 15.657 1.00 0.00 C ATOM 292 CG GLU A 18 32.851 48.656 14.668 1.00 0.00 C ATOM 293 CD GLU A 18 31.754 49.660 15.024 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.649 49.598 14.443 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.967 50.544 15.883 1.00 0.00 O ATOM 0 H GLU A 18 35.329 47.906 16.371 1.00 0.00 H new ATOM 0 HA GLU A 18 32.738 48.748 17.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.638 46.757 15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.960 47.009 15.713 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.812 49.170 14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.667 48.263 13.668 1.00 0.00 H new ATOM 302 N PRO A 19 31.960 46.628 18.662 1.00 0.00 N ATOM 303 CA PRO A 19 31.654 45.563 19.597 1.00 0.00 C ATOM 304 C PRO A 19 31.966 44.144 19.121 1.00 0.00 C ATOM 305 O PRO A 19 32.194 43.265 19.949 1.00 0.00 O ATOM 306 CB PRO A 19 30.170 45.716 19.919 1.00 0.00 C ATOM 307 CG PRO A 19 29.947 47.219 19.781 1.00 0.00 C ATOM 308 CD PRO A 19 30.866 47.576 18.616 1.00 0.00 C ATOM 0 HA PRO A 19 32.303 45.672 20.466 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.546 45.149 19.228 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.936 45.363 20.923 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.905 47.458 19.566 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.216 47.756 20.691 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.334 47.512 17.667 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.232 48.599 18.708 1.00 0.00 H new ATOM 316 N SER A 20 32.002 43.911 17.812 1.00 0.00 N ATOM 317 CA SER A 20 32.291 42.630 17.199 1.00 0.00 C ATOM 318 C SER A 20 33.726 42.454 16.697 1.00 0.00 C ATOM 319 O SER A 20 33.989 41.480 15.995 1.00 0.00 O ATOM 320 CB SER A 20 31.293 42.339 16.082 1.00 0.00 C ATOM 321 OG SER A 20 29.973 42.602 16.503 1.00 0.00 O ATOM 0 H SER A 20 31.822 44.644 17.126 1.00 0.00 H new ATOM 0 HA SER A 20 32.185 41.901 18.002 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.529 42.949 15.210 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.380 41.297 15.774 1.00 0.00 H new ATOM 0 HG SER A 20 29.351 42.410 15.770 1.00 0.00 H new ATOM 327 N ASP A 21 34.650 43.365 16.989 1.00 0.00 N ATOM 328 CA ASP A 21 36.018 43.269 16.524 1.00 0.00 C ATOM 329 C ASP A 21 36.784 42.076 17.098 1.00 0.00 C ATOM 330 O ASP A 21 36.503 41.581 18.187 1.00 0.00 O ATOM 331 CB ASP A 21 36.784 44.569 16.750 1.00 0.00 C ATOM 332 CG ASP A 21 36.795 45.482 15.522 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.048 44.974 14.408 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.615 46.711 15.659 1.00 0.00 O ATOM 0 H ASP A 21 34.464 44.191 17.557 1.00 0.00 H new ATOM 0 HA ASP A 21 35.944 43.093 15.451 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.339 45.104 17.589 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.811 44.334 17.030 1.00 0.00 H new ATOM 339 N THR A 22 37.782 41.616 16.347 1.00 0.00 N ATOM 340 CA THR A 22 38.682 40.542 16.715 1.00 0.00 C ATOM 341 C THR A 22 39.918 41.063 17.450 1.00 0.00 C ATOM 342 O THR A 22 40.291 42.225 17.304 1.00 0.00 O ATOM 343 CB THR A 22 39.091 39.711 15.503 1.00 0.00 C ATOM 344 OG1 THR A 22 39.899 40.455 14.618 1.00 0.00 O ATOM 345 CG2 THR A 22 37.903 39.204 14.691 1.00 0.00 C ATOM 0 H THR A 22 37.989 42.003 15.426 1.00 0.00 H new ATOM 0 HA THR A 22 38.134 39.895 17.399 1.00 0.00 H new ATOM 0 HB THR A 22 39.634 38.863 15.921 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.146 39.896 13.852 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.264 38.621 13.844 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.273 38.577 15.321 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.323 40.052 14.327 1.00 0.00 H new ATOM 353 N ILE A 23 40.609 40.200 18.189 1.00 0.00 N ATOM 354 CA ILE A 23 41.890 40.517 18.786 1.00 0.00 C ATOM 355 C ILE A 23 42.927 40.876 17.719 1.00 0.00 C ATOM 356 O ILE A 23 43.718 41.791 17.929 1.00 0.00 O ATOM 357 CB ILE A 23 42.342 39.396 19.717 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.424 39.220 20.924 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.782 39.561 20.196 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.152 40.468 21.759 1.00 0.00 C ATOM 0 H ILE A 23 40.287 39.253 18.389 1.00 0.00 H new ATOM 0 HA ILE A 23 41.779 41.408 19.404 1.00 0.00 H new ATOM 0 HB ILE A 23 42.285 38.496 19.105 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.469 38.830 20.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.858 38.461 21.575 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.044 38.733 20.854 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.453 39.567 19.337 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.879 40.501 20.739 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.488 40.215 22.586 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.092 40.854 22.153 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.681 41.228 21.135 1.00 0.00 H new ATOM 372 N GLU A 24 42.883 40.258 16.542 1.00 0.00 N ATOM 373 CA GLU A 24 43.713 40.623 15.411 1.00 0.00 C ATOM 374 C GLU A 24 43.495 42.077 14.984 1.00 0.00 C ATOM 375 O GLU A 24 44.464 42.791 14.734 1.00 0.00 O ATOM 376 CB GLU A 24 43.476 39.721 14.203 1.00 0.00 C ATOM 377 CG GLU A 24 43.559 38.217 14.450 1.00 0.00 C ATOM 378 CD GLU A 24 42.215 37.634 14.890 1.00 0.00 C ATOM 379 OE1 GLU A 24 41.905 37.688 16.100 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.455 37.141 14.029 1.00 0.00 O ATOM 0 H GLU A 24 42.256 39.476 16.350 1.00 0.00 H new ATOM 0 HA GLU A 24 44.740 40.497 15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.490 39.946 13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.204 39.981 13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.890 37.718 13.539 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.309 38.016 15.215 1.00 0.00 H new ATOM 387 N ASN A 25 42.250 42.540 14.945 1.00 0.00 N ATOM 388 CA ASN A 25 41.925 43.907 14.589 1.00 0.00 C ATOM 389 C ASN A 25 42.397 44.903 15.650 1.00 0.00 C ATOM 390 O ASN A 25 42.932 45.954 15.302 1.00 0.00 O ATOM 391 CB ASN A 25 40.427 44.036 14.334 1.00 0.00 C ATOM 392 CG ASN A 25 39.918 43.229 13.138 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.666 42.748 12.290 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.599 43.115 13.015 1.00 0.00 N ATOM 0 H ASN A 25 41.434 41.968 15.162 1.00 0.00 H new ATOM 0 HA ASN A 25 42.459 44.154 13.672 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.890 43.717 15.227 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.187 45.087 14.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.202 42.626 12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.984 43.517 13.723 1.00 0.00 H new ATOM 401 N VAL A 26 42.289 44.569 16.933 1.00 0.00 N ATOM 402 CA VAL A 26 42.849 45.354 18.016 1.00 0.00 C ATOM 403 C VAL A 26 44.367 45.468 17.869 1.00 0.00 C ATOM 404 O VAL A 26 44.899 46.576 17.865 1.00 0.00 O ATOM 405 CB VAL A 26 42.468 44.777 19.377 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.138 45.497 20.543 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.961 44.852 19.609 1.00 0.00 C ATOM 0 H VAL A 26 41.801 43.731 17.249 1.00 0.00 H new ATOM 0 HA VAL A 26 42.425 46.357 17.958 1.00 0.00 H new ATOM 0 HB VAL A 26 42.811 43.743 19.348 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.826 45.039 21.481 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.221 45.420 20.444 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.847 46.547 20.538 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.722 44.433 20.587 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.638 45.892 19.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.445 44.284 18.835 1.00 0.00 H new ATOM 417 N LYS A 27 45.065 44.357 17.656 1.00 0.00 N ATOM 418 CA LYS A 27 46.501 44.323 17.468 1.00 0.00 C ATOM 419 C LYS A 27 46.962 45.103 16.235 1.00 0.00 C ATOM 420 O LYS A 27 47.977 45.793 16.304 1.00 0.00 O ATOM 421 CB LYS A 27 46.968 42.872 17.390 1.00 0.00 C ATOM 422 CG LYS A 27 46.900 42.153 18.734 1.00 0.00 C ATOM 423 CD LYS A 27 47.095 40.646 18.601 1.00 0.00 C ATOM 424 CE LYS A 27 48.415 40.309 17.912 1.00 0.00 C ATOM 425 NZ LYS A 27 48.755 38.888 18.083 1.00 0.00 N ATOM 0 H LYS A 27 44.631 43.435 17.609 1.00 0.00 H new ATOM 0 HA LYS A 27 46.955 44.816 18.327 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.354 42.337 16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 47.993 42.845 17.021 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.664 42.558 19.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 45.935 42.351 19.200 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.072 40.187 19.589 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.268 40.220 18.033 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.345 40.544 16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.212 40.929 18.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.582 38.802 18.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.948 38.387 18.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.975 38.470 17.157 1.00 0.00 H new ATOM 439 N ALA A 28 46.209 45.055 15.139 1.00 0.00 N ATOM 440 CA ALA A 28 46.496 45.810 13.937 1.00 0.00 C ATOM 441 C ALA A 28 46.356 47.317 14.156 1.00 0.00 C ATOM 442 O ALA A 28 47.228 48.088 13.763 1.00 0.00 O ATOM 443 CB ALA A 28 45.596 45.317 12.808 1.00 0.00 C ATOM 0 H ALA A 28 45.370 44.479 15.067 1.00 0.00 H new ATOM 0 HA ALA A 28 47.537 45.643 13.661 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.808 45.882 11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.784 44.258 12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.552 45.458 13.087 1.00 0.00 H new ATOM 449 N LYS A 29 45.302 47.763 14.835 1.00 0.00 N ATOM 450 CA LYS A 29 45.121 49.159 15.181 1.00 0.00 C ATOM 451 C LYS A 29 46.200 49.657 16.142 1.00 0.00 C ATOM 452 O LYS A 29 46.698 50.766 15.961 1.00 0.00 O ATOM 453 CB LYS A 29 43.708 49.382 15.714 1.00 0.00 C ATOM 454 CG LYS A 29 42.643 49.236 14.632 1.00 0.00 C ATOM 455 CD LYS A 29 41.249 49.463 15.213 1.00 0.00 C ATOM 456 CE LYS A 29 40.137 49.408 14.170 1.00 0.00 C ATOM 457 NZ LYS A 29 40.243 50.491 13.181 1.00 0.00 N ATOM 0 H LYS A 29 44.548 47.157 15.160 1.00 0.00 H new ATOM 0 HA LYS A 29 45.237 49.759 14.278 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.508 48.669 16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.642 50.378 16.152 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.830 49.952 13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.701 48.241 14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.056 48.711 15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.224 50.434 15.708 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.171 48.447 13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.170 49.469 14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.404 50.483 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.304 51.405 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.096 50.351 12.603 1.00 0.00 H new ATOM 471 N ILE A 30 46.637 48.828 17.087 1.00 0.00 N ATOM 472 CA ILE A 30 47.745 49.103 17.979 1.00 0.00 C ATOM 473 C ILE A 30 49.083 49.167 17.238 1.00 0.00 C ATOM 474 O ILE A 30 49.891 50.040 17.545 1.00 0.00 O ATOM 475 CB ILE A 30 47.762 48.109 19.137 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.574 48.383 20.056 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.057 48.161 19.943 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.345 47.322 21.128 1.00 0.00 C ATOM 0 H ILE A 30 46.210 47.917 17.253 1.00 0.00 H new ATOM 0 HA ILE A 30 47.595 50.096 18.403 1.00 0.00 H new ATOM 0 HB ILE A 30 47.694 47.109 18.708 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.722 49.347 20.543 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.673 48.468 19.448 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.011 47.433 20.753 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.900 47.928 19.293 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.186 49.160 20.360 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.482 47.598 21.734 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.162 46.358 20.653 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.227 47.251 21.764 1.00 0.00 H new ATOM 490 N GLN A 31 49.310 48.342 16.220 1.00 0.00 N ATOM 491 CA GLN A 31 50.478 48.415 15.365 1.00 0.00 C ATOM 492 C GLN A 31 50.553 49.751 14.623 1.00 0.00 C ATOM 493 O GLN A 31 51.632 50.327 14.497 1.00 0.00 O ATOM 494 CB GLN A 31 50.487 47.196 14.447 1.00 0.00 C ATOM 495 CG GLN A 31 51.322 47.259 13.171 1.00 0.00 C ATOM 496 CD GLN A 31 52.831 47.424 13.368 1.00 0.00 C ATOM 497 OE1 GLN A 31 53.330 47.818 14.420 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.626 47.128 12.345 1.00 0.00 N ATOM 0 H GLN A 31 48.670 47.590 15.966 1.00 0.00 H new ATOM 0 HA GLN A 31 51.387 48.386 15.966 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.834 46.343 15.030 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.456 46.988 14.160 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.147 46.347 12.600 1.00 0.00 H new ATOM 0 HG3 GLN A 31 50.961 48.089 12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.225 46.800 11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.637 47.229 12.439 1.00 0.00 H new ATOM 507 N ASP A 32 49.431 50.320 14.193 1.00 0.00 N ATOM 508 CA ASP A 32 49.417 51.658 13.635 1.00 0.00 C ATOM 509 C ASP A 32 49.700 52.755 14.662 1.00 0.00 C ATOM 510 O ASP A 32 50.413 53.700 14.333 1.00 0.00 O ATOM 511 CB ASP A 32 48.126 51.872 12.851 1.00 0.00 C ATOM 512 CG ASP A 32 48.015 53.311 12.342 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.567 53.632 11.268 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.401 54.127 13.064 1.00 0.00 O ATOM 0 H ASP A 32 48.517 49.868 14.223 1.00 0.00 H new ATOM 0 HA ASP A 32 50.252 51.742 12.940 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.092 51.182 12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.270 51.642 13.486 1.00 0.00 H new ATOM 519 N LYS A 33 49.236 52.634 15.903 1.00 0.00 N ATOM 520 CA LYS A 33 49.525 53.570 16.970 1.00 0.00 C ATOM 521 C LYS A 33 50.988 53.545 17.414 1.00 0.00 C ATOM 522 O LYS A 33 51.635 54.589 17.452 1.00 0.00 O ATOM 523 CB LYS A 33 48.641 53.330 18.191 1.00 0.00 C ATOM 524 CG LYS A 33 47.138 53.567 18.059 1.00 0.00 C ATOM 525 CD LYS A 33 46.742 55.011 17.767 1.00 0.00 C ATOM 526 CE LYS A 33 45.223 55.137 17.691 1.00 0.00 C ATOM 527 NZ LYS A 33 44.788 56.509 17.387 1.00 0.00 N ATOM 0 H LYS A 33 48.636 51.863 16.195 1.00 0.00 H new ATOM 0 HA LYS A 33 49.312 54.551 16.547 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.787 52.298 18.509 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.008 53.966 18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.753 52.931 17.262 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.652 53.251 18.982 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.130 55.667 18.547 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.188 55.335 16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.843 54.460 16.926 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.787 54.822 18.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.749 56.543 17.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.126 57.153 18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.180 56.802 16.470 1.00 0.00 H new ATOM 541 N GLU A 34 51.507 52.370 17.762 1.00 0.00 N ATOM 542 CA GLU A 34 52.730 52.184 18.517 1.00 0.00 C ATOM 543 C GLU A 34 53.901 51.621 17.709 1.00 0.00 C ATOM 544 O GLU A 34 55.032 51.693 18.185 1.00 0.00 O ATOM 545 CB GLU A 34 52.434 51.286 19.715 1.00 0.00 C ATOM 546 CG GLU A 34 51.754 52.022 20.866 1.00 0.00 C ATOM 547 CD GLU A 34 52.715 52.985 21.565 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.746 52.527 22.105 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.473 54.211 21.547 1.00 0.00 O ATOM 0 H GLU A 34 51.062 51.487 17.511 1.00 0.00 H new ATOM 0 HA GLU A 34 53.056 53.175 18.833 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.798 50.461 19.394 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.367 50.849 20.072 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.895 52.576 20.487 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.374 51.298 21.587 1.00 0.00 H new ATOM 556 N GLY A 35 53.676 51.064 16.522 1.00 0.00 N ATOM 557 CA GLY A 35 54.728 50.555 15.667 1.00 0.00 C ATOM 558 C GLY A 35 55.384 49.248 16.118 1.00 0.00 C ATOM 559 O GLY A 35 56.455 48.921 15.615 1.00 0.00 O ATOM 0 H GLY A 35 52.742 50.955 16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.318 50.407 14.668 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.502 51.318 15.584 1.00 0.00 H new ATOM 563 N ILE A 36 54.774 48.514 17.044 1.00 0.00 N ATOM 564 CA ILE A 36 55.197 47.202 17.489 1.00 0.00 C ATOM 565 C ILE A 36 54.406 46.146 16.715 1.00 0.00 C ATOM 566 O ILE A 36 53.190 46.094 16.890 1.00 0.00 O ATOM 567 CB ILE A 36 55.011 47.061 18.998 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.871 48.061 19.764 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.364 45.647 19.452 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.419 48.280 21.204 1.00 0.00 C ATOM 0 H ILE A 36 53.934 48.838 17.523 1.00 0.00 H new ATOM 0 HA ILE A 36 56.259 47.062 17.289 1.00 0.00 H new ATOM 0 HB ILE A 36 53.962 47.265 19.214 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.904 47.713 19.765 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.857 49.016 19.239 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.225 45.566 20.530 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.716 44.930 18.948 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.403 45.434 19.203 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.077 49.003 21.686 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.397 48.659 21.211 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.460 47.335 21.746 1.00 0.00 H new ATOM 582 N PRO A 37 55.032 45.285 15.918 1.00 0.00 N ATOM 583 CA PRO A 37 54.337 44.292 15.124 1.00 0.00 C ATOM 584 C PRO A 37 53.497 43.307 15.941 1.00 0.00 C ATOM 585 O PRO A 37 53.878 42.979 17.062 1.00 0.00 O ATOM 586 CB PRO A 37 55.408 43.559 14.321 1.00 0.00 C ATOM 587 CG PRO A 37 56.526 44.592 14.204 1.00 0.00 C ATOM 588 CD PRO A 37 56.432 45.312 15.546 1.00 0.00 C ATOM 0 HA PRO A 37 53.611 44.795 14.486 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.746 42.656 14.830 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.038 43.253 13.342 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.500 44.125 14.059 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.369 45.270 13.365 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.045 44.816 16.298 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.794 46.337 15.465 1.00 0.00 H new ATOM 596 N PRO A 38 52.395 42.782 15.412 1.00 0.00 N ATOM 597 CA PRO A 38 51.449 41.978 16.158 1.00 0.00 C ATOM 598 C PRO A 38 52.007 40.690 16.766 1.00 0.00 C ATOM 599 O PRO A 38 51.476 40.237 17.777 1.00 0.00 O ATOM 600 CB PRO A 38 50.289 41.702 15.204 1.00 0.00 C ATOM 601 CG PRO A 38 50.878 41.907 13.811 1.00 0.00 C ATOM 602 CD PRO A 38 51.903 43.009 14.068 1.00 0.00 C ATOM 0 HA PRO A 38 51.141 42.535 17.043 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.907 40.689 15.327 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.456 42.381 15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.341 40.999 13.425 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.122 42.212 13.088 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.715 42.966 13.342 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.448 43.995 13.979 1.00 0.00 H new ATOM 610 N ASP A 39 53.081 40.111 16.236 1.00 0.00 N ATOM 611 CA ASP A 39 53.738 38.960 16.821 1.00 0.00 C ATOM 612 C ASP A 39 54.735 39.306 17.928 1.00 0.00 C ATOM 613 O ASP A 39 55.239 38.422 18.617 1.00 0.00 O ATOM 614 CB ASP A 39 54.418 38.149 15.722 1.00 0.00 C ATOM 615 CG ASP A 39 53.385 37.555 14.764 1.00 0.00 C ATOM 616 OD1 ASP A 39 53.258 38.043 13.620 1.00 0.00 O ATOM 617 OD2 ASP A 39 52.703 36.583 15.152 1.00 0.00 O ATOM 0 H ASP A 39 53.521 40.438 15.376 1.00 0.00 H new ATOM 0 HA ASP A 39 52.960 38.369 17.305 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.109 38.786 15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.009 37.349 16.168 1.00 0.00 H new ATOM 622 N GLN A 40 55.035 40.590 18.110 1.00 0.00 N ATOM 623 CA GLN A 40 55.936 41.129 19.108 1.00 0.00 C ATOM 624 C GLN A 40 55.180 41.813 20.248 1.00 0.00 C ATOM 625 O GLN A 40 55.698 41.907 21.360 1.00 0.00 O ATOM 626 CB GLN A 40 56.922 42.037 18.379 1.00 0.00 C ATOM 627 CG GLN A 40 58.343 42.011 18.937 1.00 0.00 C ATOM 628 CD GLN A 40 59.365 42.163 17.807 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.891 41.187 17.278 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.640 43.376 17.340 1.00 0.00 N ATOM 0 H GLN A 40 54.627 41.320 17.526 1.00 0.00 H new ATOM 0 HA GLN A 40 56.493 40.336 19.607 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.953 41.748 17.328 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.549 43.061 18.417 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.470 42.815 19.661 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.515 41.074 19.467 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.211 44.197 17.768 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.280 43.487 16.553 1.00 0.00 H new ATOM 639 N GLN A 41 53.934 42.209 20.007 1.00 0.00 N ATOM 640 CA GLN A 41 52.967 42.600 21.014 1.00 0.00 C ATOM 641 C GLN A 41 52.550 41.416 21.887 1.00 0.00 C ATOM 642 O GLN A 41 52.224 40.345 21.377 1.00 0.00 O ATOM 643 CB GLN A 41 51.693 43.142 20.371 1.00 0.00 C ATOM 644 CG GLN A 41 51.824 44.414 19.538 1.00 0.00 C ATOM 645 CD GLN A 41 50.500 44.821 18.888 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.407 44.553 19.380 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.536 45.478 17.732 1.00 0.00 N ATOM 0 H GLN A 41 53.559 42.267 19.060 1.00 0.00 H new ATOM 0 HA GLN A 41 53.455 43.364 21.618 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.277 42.362 19.734 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.967 43.329 21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.180 45.226 20.172 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.575 44.262 18.763 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.433 45.711 17.305 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.667 45.749 17.272 1.00 0.00 H new ATOM 656 N ARG A 42 52.397 41.646 23.188 1.00 0.00 N ATOM 657 CA ARG A 42 51.549 40.870 24.070 1.00 0.00 C ATOM 658 C ARG A 42 50.555 41.811 24.754 1.00 0.00 C ATOM 659 O ARG A 42 50.963 42.840 25.289 1.00 0.00 O ATOM 660 CB ARG A 42 52.410 40.109 25.074 1.00 0.00 C ATOM 661 CG ARG A 42 51.643 39.084 25.906 1.00 0.00 C ATOM 662 CD ARG A 42 52.444 38.592 27.108 1.00 0.00 C ATOM 663 NE ARG A 42 53.744 38.029 26.741 1.00 0.00 N ATOM 664 CZ ARG A 42 54.031 36.764 26.403 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.120 35.784 26.332 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.288 36.392 26.125 1.00 0.00 N ATOM 0 H ARG A 42 52.880 42.406 23.668 1.00 0.00 H new ATOM 0 HA ARG A 42 50.981 40.130 23.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.210 39.599 24.537 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.883 40.825 25.746 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.709 39.527 26.252 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.379 38.234 25.277 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.596 39.421 27.799 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.864 37.837 27.638 1.00 0.00 H new ATOM 0 HE ARG A 42 54.529 38.680 26.743 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.141 35.981 26.542 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.405 34.841 26.068 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.044 37.076 26.169 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.489 35.425 25.869 1.00 0.00 H new ATOM 680 N LEU A 43 49.271 41.465 24.735 1.00 0.00 N ATOM 681 CA LEU A 43 48.194 42.263 25.286 1.00 0.00 C ATOM 682 C LEU A 43 47.563 41.568 26.494 1.00 0.00 C ATOM 683 O LEU A 43 47.171 40.407 26.399 1.00 0.00 O ATOM 684 CB LEU A 43 47.151 42.567 24.215 1.00 0.00 C ATOM 685 CG LEU A 43 47.632 43.327 22.982 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.452 43.537 22.036 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.216 44.697 23.319 1.00 0.00 C ATOM 0 H LEU A 43 48.947 40.591 24.320 1.00 0.00 H new ATOM 0 HA LEU A 43 48.609 43.210 25.630 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.718 41.623 23.885 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.348 43.142 24.676 1.00 0.00 H new ATOM 0 HG LEU A 43 48.420 42.728 22.525 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.787 44.080 21.152 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.049 42.569 21.737 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.677 44.112 22.543 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.541 45.190 22.402 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.456 45.306 23.809 1.00 0.00 H new ATOM 0 HD23 LEU A 43 49.069 44.575 23.987 1.00 0.00 H new ATOM 699 N ILE A 44 47.445 42.280 27.611 1.00 0.00 N ATOM 700 CA ILE A 44 46.899 41.792 28.863 1.00 0.00 C ATOM 701 C ILE A 44 45.653 42.591 29.247 1.00 0.00 C ATOM 702 O ILE A 44 45.679 43.820 29.247 1.00 0.00 O ATOM 703 CB ILE A 44 47.942 41.815 29.976 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.286 41.180 29.626 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.384 41.180 31.248 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.268 39.697 29.270 1.00 0.00 C ATOM 0 H ILE A 44 47.742 43.254 27.665 1.00 0.00 H new ATOM 0 HA ILE A 44 46.607 40.751 28.723 1.00 0.00 H new ATOM 0 HB ILE A 44 48.153 42.873 30.133 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.713 41.727 28.785 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.959 41.319 30.472 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.142 41.206 32.030 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.505 41.735 31.576 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.106 40.146 31.046 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.281 39.365 29.042 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.880 39.125 30.113 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.630 39.539 28.400 1.00 0.00 H new ATOM 718 N PHE A 45 44.574 41.902 29.609 1.00 0.00 N ATOM 719 CA PHE A 45 43.337 42.477 30.096 1.00 0.00 C ATOM 720 C PHE A 45 42.734 41.627 31.217 1.00 0.00 C ATOM 721 O PHE A 45 42.608 40.413 31.067 1.00 0.00 O ATOM 722 CB PHE A 45 42.350 42.608 28.940 1.00 0.00 C ATOM 723 CG PHE A 45 41.001 43.137 29.365 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.868 44.489 29.704 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.912 42.270 29.522 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.667 44.965 30.240 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.704 42.746 30.046 1.00 0.00 C ATOM 728 CZ PHE A 45 38.589 44.089 30.424 1.00 0.00 C ATOM 0 H PHE A 45 44.543 40.883 29.567 1.00 0.00 H new ATOM 0 HA PHE A 45 43.550 43.464 30.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.771 43.271 28.185 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.219 41.633 28.471 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.695 45.166 29.551 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.004 41.232 29.238 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.571 46.006 30.512 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.863 42.078 30.158 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.668 44.450 30.858 1.00 0.00 H new ATOM 738 N ALA A 46 42.336 42.250 32.322 1.00 0.00 N ATOM 739 CA ALA A 46 41.707 41.618 33.464 1.00 0.00 C ATOM 740 C ALA A 46 42.392 40.330 33.925 1.00 0.00 C ATOM 741 O ALA A 46 41.747 39.306 34.142 1.00 0.00 O ATOM 742 CB ALA A 46 40.210 41.494 33.197 1.00 0.00 C ATOM 0 H ALA A 46 42.451 43.256 32.446 1.00 0.00 H new ATOM 0 HA ALA A 46 41.838 42.259 34.336 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.726 41.019 34.051 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.784 42.486 33.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.048 40.888 32.305 1.00 0.00 H new ATOM 748 N GLY A 47 43.719 40.358 34.013 1.00 0.00 N ATOM 749 CA GLY A 47 44.570 39.244 34.377 1.00 0.00 C ATOM 750 C GLY A 47 44.827 38.194 33.295 1.00 0.00 C ATOM 751 O GLY A 47 45.704 37.353 33.477 1.00 0.00 O ATOM 0 H GLY A 47 44.252 41.206 33.821 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.532 39.642 34.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.126 38.744 35.238 1.00 0.00 H new ATOM 755 N LYS A 48 44.119 38.226 32.169 1.00 0.00 N ATOM 756 CA LYS A 48 44.235 37.290 31.069 1.00 0.00 C ATOM 757 C LYS A 48 45.087 37.848 29.928 1.00 0.00 C ATOM 758 O LYS A 48 45.004 39.032 29.608 1.00 0.00 O ATOM 759 CB LYS A 48 42.856 36.897 30.549 1.00 0.00 C ATOM 760 CG LYS A 48 42.011 36.122 31.556 1.00 0.00 C ATOM 761 CD LYS A 48 40.707 35.654 30.917 1.00 0.00 C ATOM 762 CE LYS A 48 39.885 34.843 31.915 1.00 0.00 C ATOM 763 NZ LYS A 48 38.720 34.209 31.276 1.00 0.00 N ATOM 0 H LYS A 48 43.415 38.944 31.997 1.00 0.00 H new ATOM 0 HA LYS A 48 44.738 36.403 31.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.318 37.799 30.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.977 36.293 29.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.571 35.262 31.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.794 36.753 32.418 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.132 36.515 30.578 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.923 35.048 30.037 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.514 34.076 32.366 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.548 35.494 32.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.187 33.667 31.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.106 34.942 30.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.043 33.569 30.523 1.00 0.00 H new ATOM 777 N GLN A 49 45.850 36.991 29.254 1.00 0.00 N ATOM 778 CA GLN A 49 46.441 37.320 27.973 1.00 0.00 C ATOM 779 C GLN A 49 45.399 37.209 26.858 1.00 0.00 C ATOM 780 O GLN A 49 44.725 36.189 26.741 1.00 0.00 O ATOM 781 CB GLN A 49 47.666 36.446 27.720 1.00 0.00 C ATOM 782 CG GLN A 49 48.398 36.791 26.427 1.00 0.00 C ATOM 783 CD GLN A 49 49.714 36.021 26.296 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.452 35.803 27.256 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.116 35.617 25.095 1.00 0.00 N ATOM 0 H GLN A 49 46.072 36.052 29.585 1.00 0.00 H new ATOM 0 HA GLN A 49 46.781 38.356 27.985 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.356 36.548 28.558 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.357 35.401 27.687 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.757 36.564 25.575 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.599 37.862 26.398 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.528 35.782 24.278 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.013 35.142 24.990 1.00 0.00 H new ATOM 794 N LEU A 50 45.297 38.242 26.025 1.00 0.00 N ATOM 795 CA LEU A 50 44.435 38.266 24.860 1.00 0.00 C ATOM 796 C LEU A 50 45.112 37.541 23.696 1.00 0.00 C ATOM 797 O LEU A 50 46.206 37.922 23.283 1.00 0.00 O ATOM 798 CB LEU A 50 44.091 39.705 24.490 1.00 0.00 C ATOM 799 CG LEU A 50 43.400 40.528 25.573 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.122 41.938 25.059 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.073 39.901 25.988 1.00 0.00 C ATOM 0 H LEU A 50 45.827 39.104 26.150 1.00 0.00 H new ATOM 0 HA LEU A 50 43.504 37.747 25.089 1.00 0.00 H new ATOM 0 HB2 LEU A 50 45.011 40.216 24.205 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.449 39.689 23.609 1.00 0.00 H new ATOM 0 HG LEU A 50 44.067 40.558 26.435 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.629 42.519 25.838 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.062 42.419 24.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.476 41.885 24.182 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.607 40.513 26.761 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.412 39.843 25.123 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.250 38.898 26.377 1.00 0.00 H new ATOM 813 N GLU A 51 44.467 36.507 23.164 1.00 0.00 N ATOM 814 CA GLU A 51 44.985 35.664 22.106 1.00 0.00 C ATOM 815 C GLU A 51 44.039 35.594 20.906 1.00 0.00 C ATOM 816 O GLU A 51 42.829 35.429 21.049 1.00 0.00 O ATOM 817 CB GLU A 51 45.277 34.261 22.632 1.00 0.00 C ATOM 818 CG GLU A 51 46.398 34.237 23.666 1.00 0.00 C ATOM 819 CD GLU A 51 46.710 32.818 24.145 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.782 32.056 24.491 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.902 32.456 24.264 1.00 0.00 O ATOM 0 H GLU A 51 43.536 36.228 23.473 1.00 0.00 H new ATOM 0 HA GLU A 51 45.915 36.118 21.762 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.371 33.849 23.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.546 33.614 21.797 1.00 0.00 H new ATOM 0 HG2 GLU A 51 47.297 34.680 23.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.116 34.853 24.520 1.00 0.00 H new ATOM 828 N ASP A 52 44.622 35.712 19.717 1.00 0.00 N ATOM 829 CA ASP A 52 44.003 35.832 18.412 1.00 0.00 C ATOM 830 C ASP A 52 42.974 34.756 18.060 1.00 0.00 C ATOM 831 O ASP A 52 42.963 33.644 18.583 1.00 0.00 O ATOM 832 CB ASP A 52 45.101 35.865 17.353 1.00 0.00 C ATOM 833 CG ASP A 52 46.200 36.908 17.563 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.814 36.964 18.650 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.566 37.631 16.610 1.00 0.00 O ATOM 0 H ASP A 52 45.639 35.727 19.642 1.00 0.00 H new ATOM 0 HA ASP A 52 43.429 36.758 18.441 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.565 34.880 17.308 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.638 36.044 16.383 1.00 0.00 H new ATOM 840 N GLY A 53 42.095 35.105 17.125 1.00 0.00 N ATOM 841 CA GLY A 53 41.004 34.304 16.605 1.00 0.00 C ATOM 842 C GLY A 53 39.686 34.467 17.363 1.00 0.00 C ATOM 843 O GLY A 53 38.685 33.883 16.953 1.00 0.00 O ATOM 0 H GLY A 53 42.134 36.023 16.682 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.843 34.566 15.559 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.296 33.254 16.629 1.00 0.00 H new ATOM 847 N ARG A 54 39.648 35.278 18.417 1.00 0.00 N ATOM 848 CA ARG A 54 38.489 35.578 19.232 1.00 0.00 C ATOM 849 C ARG A 54 38.148 37.069 19.258 1.00 0.00 C ATOM 850 O ARG A 54 38.917 37.897 18.776 1.00 0.00 O ATOM 851 CB ARG A 54 38.684 34.995 20.629 1.00 0.00 C ATOM 852 CG ARG A 54 38.610 33.474 20.732 1.00 0.00 C ATOM 853 CD ARG A 54 37.236 32.868 20.463 1.00 0.00 C ATOM 854 NE ARG A 54 36.976 32.659 19.039 1.00 0.00 N ATOM 855 CZ ARG A 54 35.949 33.095 18.298 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.013 33.938 18.754 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.839 32.706 17.020 1.00 0.00 N ATOM 0 H ARG A 54 40.481 35.771 18.739 1.00 0.00 H new ATOM 0 HA ARG A 54 37.620 35.103 18.777 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.655 35.319 21.005 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.929 35.422 21.289 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.323 33.044 20.028 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.930 33.178 21.731 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.156 31.915 20.986 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.468 33.523 20.875 1.00 0.00 H new ATOM 0 HE ARG A 54 37.673 32.105 18.542 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.060 34.282 19.713 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.253 34.236 18.142 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.536 32.080 16.616 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.059 33.036 16.452 1.00 0.00 H new ATOM 871 N THR A 55 36.978 37.397 19.798 1.00 0.00 N ATOM 872 CA THR A 55 36.356 38.706 19.759 1.00 0.00 C ATOM 873 C THR A 55 36.349 39.424 21.110 1.00 0.00 C ATOM 874 O THR A 55 36.594 38.808 22.145 1.00 0.00 O ATOM 875 CB THR A 55 34.931 38.622 19.219 1.00 0.00 C ATOM 876 OG1 THR A 55 34.089 37.941 20.121 1.00 0.00 O ATOM 877 CG2 THR A 55 34.830 37.933 17.861 1.00 0.00 C ATOM 0 H THR A 55 36.411 36.715 20.301 1.00 0.00 H new ATOM 0 HA THR A 55 36.974 39.299 19.084 1.00 0.00 H new ATOM 0 HB THR A 55 34.613 39.657 19.097 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.381 37.009 20.201 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.788 37.910 17.541 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.422 38.482 17.129 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.207 36.913 17.941 1.00 0.00 H new ATOM 885 N LEU A 56 36.040 40.718 21.119 1.00 0.00 N ATOM 886 CA LEU A 56 35.973 41.521 22.323 1.00 0.00 C ATOM 887 C LEU A 56 35.068 40.921 23.402 1.00 0.00 C ATOM 888 O LEU A 56 35.437 40.916 24.575 1.00 0.00 O ATOM 889 CB LEU A 56 35.487 42.928 21.992 1.00 0.00 C ATOM 890 CG LEU A 56 36.340 43.741 21.022 1.00 0.00 C ATOM 891 CD1 LEU A 56 35.787 45.161 20.940 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.805 43.837 21.436 1.00 0.00 C ATOM 0 H LEU A 56 35.826 41.242 20.270 1.00 0.00 H new ATOM 0 HA LEU A 56 36.986 41.549 22.725 1.00 0.00 H new ATOM 0 HB2 LEU A 56 34.482 42.851 21.578 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.406 43.487 22.924 1.00 0.00 H new ATOM 0 HG LEU A 56 36.296 43.223 20.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.392 45.748 20.249 1.00 0.00 H new ATOM 0 HD12 LEU A 56 34.757 45.130 20.585 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.817 45.621 21.928 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.352 44.428 20.702 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.876 44.315 22.413 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.234 42.837 21.489 1.00 0.00 H new ATOM 904 N SER A 57 33.911 40.385 23.025 1.00 0.00 N ATOM 905 CA SER A 57 32.979 39.772 23.948 1.00 0.00 C ATOM 906 C SER A 57 33.479 38.458 24.552 1.00 0.00 C ATOM 907 O SER A 57 33.124 38.156 25.689 1.00 0.00 O ATOM 908 CB SER A 57 31.615 39.563 23.297 1.00 0.00 C ATOM 909 OG SER A 57 31.724 38.681 22.202 1.00 0.00 O ATOM 0 H SER A 57 33.596 40.367 22.055 1.00 0.00 H new ATOM 0 HA SER A 57 32.885 40.478 24.773 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.914 39.161 24.028 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.214 40.520 22.963 1.00 0.00 H new ATOM 0 HG SER A 57 30.842 38.555 21.795 1.00 0.00 H new ATOM 915 N ASP A 58 34.344 37.716 23.864 1.00 0.00 N ATOM 916 CA ASP A 58 34.953 36.508 24.383 1.00 0.00 C ATOM 917 C ASP A 58 35.936 36.781 25.524 1.00 0.00 C ATOM 918 O ASP A 58 36.263 35.871 26.283 1.00 0.00 O ATOM 919 CB ASP A 58 35.662 35.734 23.276 1.00 0.00 C ATOM 920 CG ASP A 58 34.742 35.329 22.122 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.105 35.588 20.954 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.681 34.716 22.367 1.00 0.00 O ATOM 0 H ASP A 58 34.642 37.947 22.916 1.00 0.00 H new ATOM 0 HA ASP A 58 34.137 35.908 24.785 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.476 36.343 22.883 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.112 34.837 23.702 1.00 0.00 H new ATOM 927 N TYR A 59 36.371 38.027 25.690 1.00 0.00 N ATOM 928 CA TYR A 59 37.189 38.500 26.787 1.00 0.00 C ATOM 929 C TYR A 59 36.499 39.544 27.666 1.00 0.00 C ATOM 930 O TYR A 59 37.132 40.095 28.564 1.00 0.00 O ATOM 931 CB TYR A 59 38.529 38.992 26.244 1.00 0.00 C ATOM 932 CG TYR A 59 39.351 37.942 25.538 1.00 0.00 C ATOM 933 CD1 TYR A 59 40.137 37.056 26.286 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.382 37.900 24.139 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.958 36.125 25.639 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.209 36.982 23.481 1.00 0.00 C ATOM 937 CZ TYR A 59 41.001 36.089 24.231 1.00 0.00 C ATOM 938 OH TYR A 59 41.837 35.213 23.605 1.00 0.00 O ATOM 0 H TYR A 59 36.147 38.767 25.025 1.00 0.00 H new ATOM 0 HA TYR A 59 37.361 37.657 27.456 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.345 39.814 25.553 1.00 0.00 H new ATOM 0 HB3 TYR A 59 39.114 39.396 27.071 1.00 0.00 H new ATOM 0 HD1 TYR A 59 40.109 37.091 27.365 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.766 38.578 23.566 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.557 35.437 26.217 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.240 36.958 22.402 1.00 0.00 H new ATOM 0 HH TYR A 59 41.978 35.501 22.679 1.00 0.00 H new ATOM 948 N ASN A 60 35.215 39.811 27.446 1.00 0.00 N ATOM 949 CA ASN A 60 34.429 40.830 28.113 1.00 0.00 C ATOM 950 C ASN A 60 35.073 42.217 28.115 1.00 0.00 C ATOM 951 O ASN A 60 35.212 42.851 29.160 1.00 0.00 O ATOM 952 CB ASN A 60 33.968 40.330 29.479 1.00 0.00 C ATOM 953 CG ASN A 60 32.802 41.140 30.050 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.226 42.002 29.390 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.379 40.870 31.282 1.00 0.00 N ATOM 0 H ASN A 60 34.670 39.290 26.759 1.00 0.00 H new ATOM 0 HA ASN A 60 33.530 40.998 27.520 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.671 39.285 29.396 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.806 40.369 30.176 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.584 41.377 31.671 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.850 40.156 31.838 1.00 0.00 H new ATOM 962 N ILE A 61 35.485 42.705 26.948 1.00 0.00 N ATOM 963 CA ILE A 61 36.042 44.027 26.749 1.00 0.00 C ATOM 964 C ILE A 61 34.920 44.995 26.369 1.00 0.00 C ATOM 965 O ILE A 61 34.298 44.841 25.320 1.00 0.00 O ATOM 966 CB ILE A 61 37.168 44.000 25.719 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.309 43.094 26.171 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.683 45.413 25.457 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.367 42.820 25.106 1.00 0.00 C ATOM 0 H ILE A 61 35.435 42.164 26.085 1.00 0.00 H new ATOM 0 HA ILE A 61 36.491 44.379 27.678 1.00 0.00 H new ATOM 0 HB ILE A 61 36.765 43.595 24.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.793 43.547 27.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.891 42.143 26.501 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.486 45.377 24.720 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.870 46.032 25.078 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.062 45.840 26.386 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.137 42.168 25.518 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.902 42.335 24.247 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.818 43.761 24.791 1.00 0.00 H new ATOM 981 N GLN A 62 34.654 45.977 27.226 1.00 0.00 N ATOM 982 CA GLN A 62 33.581 46.946 27.130 1.00 0.00 C ATOM 983 C GLN A 62 34.112 48.358 26.872 1.00 0.00 C ATOM 984 O GLN A 62 35.319 48.587 26.883 1.00 0.00 O ATOM 985 CB GLN A 62 32.741 46.887 28.404 1.00 0.00 C ATOM 986 CG GLN A 62 32.108 45.519 28.640 1.00 0.00 C ATOM 987 CD GLN A 62 31.182 45.511 29.858 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.607 45.417 31.007 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.876 45.660 29.658 1.00 0.00 N ATOM 0 H GLN A 62 35.224 46.121 28.059 1.00 0.00 H new ATOM 0 HA GLN A 62 32.953 46.695 26.275 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.368 47.143 29.258 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.955 47.640 28.349 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.544 45.225 27.755 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.894 44.776 28.779 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.511 45.739 28.709 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.239 45.695 30.454 1.00 0.00 H new ATOM 998 N LYS A 63 33.232 49.328 26.645 1.00 0.00 N ATOM 999 CA LYS A 63 33.628 50.705 26.418 1.00 0.00 C ATOM 1000 C LYS A 63 34.317 51.342 27.626 1.00 0.00 C ATOM 1001 O LYS A 63 33.966 51.085 28.776 1.00 0.00 O ATOM 1002 CB LYS A 63 32.468 51.541 25.886 1.00 0.00 C ATOM 1003 CG LYS A 63 31.400 51.914 26.911 1.00 0.00 C ATOM 1004 CD LYS A 63 30.230 52.648 26.263 1.00 0.00 C ATOM 1005 CE LYS A 63 30.639 54.011 25.713 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.504 54.691 25.070 1.00 0.00 N ATOM 0 H LYS A 63 32.224 49.177 26.614 1.00 0.00 H new ATOM 0 HA LYS A 63 34.389 50.685 25.638 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.871 52.459 25.458 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.991 50.993 25.074 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.036 51.012 27.403 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.841 52.543 27.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.824 52.039 25.455 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.434 52.778 26.996 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.026 54.631 26.522 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.447 53.887 24.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.814 55.615 24.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.151 54.109 24.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.743 54.830 25.766 1.00 0.00 H new ATOM 1020 N GLU A 64 35.293 52.204 27.361 1.00 0.00 N ATOM 1021 CA GLU A 64 36.164 52.844 28.326 1.00 0.00 C ATOM 1022 C GLU A 64 37.022 51.898 29.170 1.00 0.00 C ATOM 1023 O GLU A 64 37.677 52.353 30.104 1.00 0.00 O ATOM 1024 CB GLU A 64 35.410 53.859 29.181 1.00 0.00 C ATOM 1025 CG GLU A 64 34.611 54.891 28.390 1.00 0.00 C ATOM 1026 CD GLU A 64 34.002 55.933 29.330 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.963 55.660 29.969 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.560 57.045 29.459 1.00 0.00 O ATOM 0 H GLU A 64 35.506 52.489 26.405 1.00 0.00 H new ATOM 0 HA GLU A 64 36.892 53.382 27.719 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.730 53.322 29.843 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.126 54.382 29.815 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.259 55.382 27.664 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.821 54.394 27.827 1.00 0.00 H new ATOM 1035 N SER A 65 37.051 50.603 28.871 1.00 0.00 N ATOM 1036 CA SER A 65 37.916 49.651 29.540 1.00 0.00 C ATOM 1037 C SER A 65 39.383 49.795 29.135 1.00 0.00 C ATOM 1038 O SER A 65 39.695 50.290 28.054 1.00 0.00 O ATOM 1039 CB SER A 65 37.435 48.221 29.315 1.00 0.00 C ATOM 1040 OG SER A 65 36.169 48.044 29.912 1.00 0.00 O ATOM 0 H SER A 65 36.465 50.185 28.148 1.00 0.00 H new ATOM 0 HA SER A 65 37.858 49.878 30.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.376 48.011 28.247 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.150 47.516 29.740 1.00 0.00 H new ATOM 0 HG SER A 65 35.863 47.125 29.764 1.00 0.00 H new ATOM 1046 N THR A 66 40.285 49.331 29.995 1.00 0.00 N ATOM 1047 CA THR A 66 41.715 49.543 29.886 1.00 0.00 C ATOM 1048 C THR A 66 42.475 48.220 29.761 1.00 0.00 C ATOM 1049 O THR A 66 42.332 47.348 30.615 1.00 0.00 O ATOM 1050 CB THR A 66 42.261 50.305 31.090 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.477 51.441 31.381 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.685 50.800 30.855 1.00 0.00 C ATOM 0 H THR A 66 40.026 48.779 30.813 1.00 0.00 H new ATOM 0 HA THR A 66 41.868 50.133 28.982 1.00 0.00 H new ATOM 0 HB THR A 66 42.239 49.597 31.918 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.851 51.907 32.158 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.034 51.337 31.737 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.339 49.949 30.666 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.700 51.468 29.994 1.00 0.00 H new ATOM 1060 N LEU A 67 43.329 48.099 28.748 1.00 0.00 N ATOM 1061 CA LEU A 67 44.228 46.982 28.541 1.00 0.00 C ATOM 1062 C LEU A 67 45.689 47.424 28.443 1.00 0.00 C ATOM 1063 O LEU A 67 45.983 48.583 28.154 1.00 0.00 O ATOM 1064 CB LEU A 67 43.741 46.131 27.371 1.00 0.00 C ATOM 1065 CG LEU A 67 43.872 46.738 25.977 1.00 0.00 C ATOM 1066 CD1 LEU A 67 45.201 46.392 25.312 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.778 46.193 25.063 1.00 0.00 C ATOM 0 H LEU A 67 43.412 48.810 28.022 1.00 0.00 H new ATOM 0 HA LEU A 67 44.208 46.339 29.421 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.290 45.189 27.384 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.691 45.891 27.540 1.00 0.00 H new ATOM 0 HG LEU A 67 43.797 47.817 26.110 1.00 0.00 H new ATOM 0 HD11 LEU A 67 45.243 46.848 24.323 1.00 0.00 H new ATOM 0 HD12 LEU A 67 46.022 46.770 25.921 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.289 45.310 25.216 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.880 46.632 24.071 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.870 45.109 24.991 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.801 46.448 25.473 1.00 0.00 H new ATOM 1079 N HIS A 68 46.615 46.502 28.690 1.00 0.00 N ATOM 1080 CA HIS A 68 48.036 46.770 28.787 1.00 0.00 C ATOM 1081 C HIS A 68 48.826 46.124 27.646 1.00 0.00 C ATOM 1082 O HIS A 68 48.541 44.987 27.277 1.00 0.00 O ATOM 1083 CB HIS A 68 48.539 46.281 30.141 1.00 0.00 C ATOM 1084 CG HIS A 68 47.899 46.969 31.315 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.357 48.153 31.889 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.827 46.516 32.039 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.543 48.413 32.915 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.621 47.444 33.042 1.00 0.00 N ATOM 0 H HIS A 68 46.384 45.519 28.832 1.00 0.00 H new ATOM 0 HA HIS A 68 48.192 47.845 28.699 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.359 45.209 30.219 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.618 46.427 30.191 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.258 45.615 31.861 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.616 49.281 33.554 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.894 47.401 33.756 1.00 0.00 H new ATOM 1096 N LEU A 69 49.828 46.822 27.120 1.00 0.00 N ATOM 1097 CA LEU A 69 50.732 46.347 26.091 1.00 0.00 C ATOM 1098 C LEU A 69 52.140 46.149 26.655 1.00 0.00 C ATOM 1099 O LEU A 69 52.694 47.054 27.277 1.00 0.00 O ATOM 1100 CB LEU A 69 50.698 47.341 24.932 1.00 0.00 C ATOM 1101 CG LEU A 69 51.768 47.181 23.856 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.713 45.854 23.105 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.612 48.300 22.831 1.00 0.00 C ATOM 0 H LEU A 69 50.037 47.776 27.416 1.00 0.00 H new ATOM 0 HA LEU A 69 50.416 45.371 25.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.721 47.271 24.453 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.779 48.347 25.345 1.00 0.00 H new ATOM 0 HG LEU A 69 52.724 47.217 24.379 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.508 45.825 22.360 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.845 45.032 23.809 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.747 45.756 22.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.373 48.194 22.058 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.623 48.242 22.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.729 49.265 23.325 1.00 0.00 H new ATOM 1115 N VAL A 70 52.732 44.987 26.395 1.00 0.00 N ATOM 1116 CA VAL A 70 54.120 44.668 26.666 1.00 0.00 C ATOM 1117 C VAL A 70 54.787 43.998 25.464 1.00 0.00 C ATOM 1118 O VAL A 70 54.112 43.549 24.541 1.00 0.00 O ATOM 1119 CB VAL A 70 54.280 43.863 27.953 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.787 44.623 29.182 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.606 42.494 27.922 1.00 0.00 C ATOM 0 H VAL A 70 52.228 44.209 25.969 1.00 0.00 H new ATOM 0 HA VAL A 70 54.646 45.609 26.830 1.00 0.00 H new ATOM 0 HB VAL A 70 55.356 43.704 28.025 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.923 44.006 30.070 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.356 45.547 29.291 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.730 44.860 29.063 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.767 41.987 28.874 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.536 42.619 27.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 54.033 41.897 27.116 1.00 0.00 H new