USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.739 K(o=1.6,f=-0.94) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.893 K(o=1.6,f=-0.4) USER MOD Set 2.1: A 55 THR OG1 : rot 125:sc= 0.344 USER MOD Set 2.2: A 57 SER OG : rot -79:sc= 1.09 USER MOD Set 3.1: A 22 THR OG1 : rot -80:sc= 1.51 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.45 K(o=3,f=-5.9!) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 174:sc= 0.766 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 160:sc= 0.68 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.4 (180deg=2.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 1.3 (180deg=0.584) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.47 (180deg=1.45) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 2.41 (180deg=2.33) USER MOD Single : A 31 GLN : amide:sc= -0.0668 K(o=-0.067,f=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.25) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 41 GLN : amide:sc= 1.73 K(o=1.7,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0362) USER MOD Single : A 49 GLN : amide:sc= 0.506 K(o=0.51,f=-0.16) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.277 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 1.28 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.536 52.230 19.434 1.00 0.00 N ATOM 2 CA MET A 1 32.890 52.617 20.809 1.00 0.00 C ATOM 3 C MET A 1 34.389 52.896 20.927 1.00 0.00 C ATOM 4 O MET A 1 35.172 52.369 20.141 1.00 0.00 O ATOM 5 CB MET A 1 32.450 51.577 21.836 1.00 0.00 C ATOM 6 CG MET A 1 33.151 50.225 21.730 1.00 0.00 C ATOM 7 SD MET A 1 32.627 49.034 22.988 1.00 0.00 S ATOM 8 CE MET A 1 33.743 47.660 22.611 1.00 0.00 C ATOM 0 H1 MET A 1 31.501 52.227 19.330 1.00 0.00 H new ATOM 0 H2 MET A 1 32.949 52.910 18.765 1.00 0.00 H new ATOM 0 H3 MET A 1 32.907 51.279 19.235 1.00 0.00 H new ATOM 0 HA MET A 1 32.346 53.535 21.031 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.621 51.980 22.834 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.376 51.421 21.735 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.962 49.804 20.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.227 50.376 21.811 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.552 46.837 23.299 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.574 47.324 21.588 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.776 47.990 22.719 1.00 0.00 H new ATOM 20 N GLN A 2 34.794 53.681 21.923 1.00 0.00 N ATOM 21 CA GLN A 2 36.186 53.908 22.256 1.00 0.00 C ATOM 22 C GLN A 2 36.674 52.966 23.358 1.00 0.00 C ATOM 23 O GLN A 2 35.927 52.669 24.287 1.00 0.00 O ATOM 24 CB GLN A 2 36.426 55.383 22.565 1.00 0.00 C ATOM 25 CG GLN A 2 35.847 55.849 23.897 1.00 0.00 C ATOM 26 CD GLN A 2 35.811 57.373 24.030 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.691 58.094 23.563 1.00 0.00 O ATOM 28 NE2 GLN A 2 34.774 57.927 24.651 1.00 0.00 N ATOM 0 H GLN A 2 34.146 54.184 22.529 1.00 0.00 H new ATOM 0 HA GLN A 2 36.794 53.664 21.385 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.499 55.572 22.563 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.995 55.984 21.765 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.836 55.456 24.005 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.440 55.432 24.711 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.039 57.337 25.042 1.00 0.00 H new ATOM 0 HE22 GLN A 2 34.713 58.942 24.737 1.00 0.00 H new ATOM 37 N ILE A 3 37.925 52.523 23.277 1.00 0.00 N ATOM 38 CA ILE A 3 38.608 51.744 24.290 1.00 0.00 C ATOM 39 C ILE A 3 40.048 52.228 24.474 1.00 0.00 C ATOM 40 O ILE A 3 40.593 52.902 23.604 1.00 0.00 O ATOM 41 CB ILE A 3 38.562 50.247 24.002 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.330 49.845 22.747 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.128 49.722 23.991 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.601 48.347 22.633 1.00 0.00 C ATOM 0 H ILE A 3 38.512 52.709 22.464 1.00 0.00 H new ATOM 0 HA ILE A 3 38.072 51.900 25.226 1.00 0.00 H new ATOM 0 HB ILE A 3 39.084 49.765 24.828 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.768 50.169 21.871 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.281 50.377 22.730 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.134 48.652 23.783 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.668 49.900 24.963 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.557 50.239 23.219 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.151 48.146 21.714 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.191 48.018 23.488 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.655 47.806 22.616 1.00 0.00 H new ATOM 56 N PHE A 4 40.687 51.857 25.580 1.00 0.00 N ATOM 57 CA PHE A 4 42.020 52.306 25.927 1.00 0.00 C ATOM 58 C PHE A 4 43.034 51.169 26.068 1.00 0.00 C ATOM 59 O PHE A 4 42.685 50.030 26.371 1.00 0.00 O ATOM 60 CB PHE A 4 41.964 53.147 27.199 1.00 0.00 C ATOM 61 CG PHE A 4 40.896 54.215 27.236 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.789 55.156 26.205 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.005 54.271 28.314 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.790 56.136 26.242 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.027 55.271 28.372 1.00 0.00 C ATOM 66 CZ PHE A 4 38.913 56.201 27.332 1.00 0.00 C ATOM 0 H PHE A 4 40.280 51.224 26.269 1.00 0.00 H new ATOM 0 HA PHE A 4 42.376 52.914 25.096 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.812 52.479 28.047 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.934 53.625 27.339 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.481 55.126 25.376 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.072 53.539 29.105 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.696 56.842 25.430 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.360 55.325 29.220 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.151 56.966 27.370 1.00 0.00 H new ATOM 76 N VAL A 5 44.312 51.491 25.885 1.00 0.00 N ATOM 77 CA VAL A 5 45.446 50.625 26.133 1.00 0.00 C ATOM 78 C VAL A 5 46.546 51.427 26.830 1.00 0.00 C ATOM 79 O VAL A 5 46.795 52.569 26.453 1.00 0.00 O ATOM 80 CB VAL A 5 45.977 50.010 24.842 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.055 48.965 25.118 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.888 49.336 24.010 1.00 0.00 C ATOM 0 H VAL A 5 44.591 52.410 25.543 1.00 0.00 H new ATOM 0 HA VAL A 5 45.122 49.805 26.774 1.00 0.00 H new ATOM 0 HB VAL A 5 46.389 50.849 24.282 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.409 48.549 24.175 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.888 49.432 25.644 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.639 48.167 25.733 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.328 48.918 23.105 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.427 48.538 24.592 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.130 50.071 23.739 1.00 0.00 H new ATOM 92 N LYS A 6 47.212 50.846 27.826 1.00 0.00 N ATOM 93 CA LYS A 6 48.374 51.402 28.489 1.00 0.00 C ATOM 94 C LYS A 6 49.629 50.557 28.261 1.00 0.00 C ATOM 95 O LYS A 6 49.530 49.346 28.078 1.00 0.00 O ATOM 96 CB LYS A 6 48.096 51.630 29.973 1.00 0.00 C ATOM 97 CG LYS A 6 47.130 52.789 30.196 1.00 0.00 C ATOM 98 CD LYS A 6 46.843 52.981 31.683 1.00 0.00 C ATOM 99 CE LYS A 6 45.723 53.995 31.907 1.00 0.00 C ATOM 100 NZ LYS A 6 46.154 55.385 31.691 1.00 0.00 N ATOM 0 H LYS A 6 46.940 49.938 28.203 1.00 0.00 H new ATOM 0 HA LYS A 6 48.576 52.373 28.038 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.681 50.721 30.409 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.033 51.833 30.492 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.553 53.705 29.782 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.198 52.599 29.663 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.565 52.026 32.128 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.748 53.318 32.189 1.00 0.00 H new ATOM 0 HE2 LYS A 6 44.896 53.768 31.235 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.345 53.892 32.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.331 56.018 31.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.853 55.648 32.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.583 55.473 30.748 1.00 0.00 H new ATOM 168 N LYS A 11 52.409 55.128 28.815 1.00 0.00 N ATOM 169 CA LYS A 11 51.700 55.833 27.766 1.00 0.00 C ATOM 170 C LYS A 11 50.275 55.293 27.625 1.00 0.00 C ATOM 171 O LYS A 11 50.079 54.086 27.752 1.00 0.00 O ATOM 172 CB LYS A 11 52.488 55.667 26.470 1.00 0.00 C ATOM 173 CG LYS A 11 52.018 56.584 25.343 1.00 0.00 C ATOM 174 CD LYS A 11 52.821 56.283 24.081 1.00 0.00 C ATOM 175 CE LYS A 11 52.515 57.286 22.972 1.00 0.00 C ATOM 176 NZ LYS A 11 53.288 56.965 21.762 1.00 0.00 N ATOM 0 HA LYS A 11 51.617 56.892 28.009 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.542 55.861 26.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.412 54.631 26.139 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.955 56.434 25.156 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.147 57.628 25.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.886 56.307 24.312 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.593 55.275 23.735 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.449 57.272 22.745 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.756 58.294 23.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.561 57.846 21.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.143 56.436 22.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.707 56.387 21.122 1.00 0.00 H new ATOM 190 N THR A 12 49.307 56.155 27.326 1.00 0.00 N ATOM 191 CA THR A 12 47.919 55.803 27.107 1.00 0.00 C ATOM 192 C THR A 12 47.554 55.998 25.634 1.00 0.00 C ATOM 193 O THR A 12 47.848 57.034 25.041 1.00 0.00 O ATOM 194 CB THR A 12 46.980 56.593 28.013 1.00 0.00 C ATOM 195 OG1 THR A 12 47.399 56.505 29.356 1.00 0.00 O ATOM 196 CG2 THR A 12 45.549 56.063 27.978 1.00 0.00 C ATOM 0 H THR A 12 49.481 57.155 27.227 1.00 0.00 H new ATOM 0 HA THR A 12 47.796 54.751 27.365 1.00 0.00 H new ATOM 0 HB THR A 12 47.007 57.618 27.642 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.009 57.243 29.869 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.923 56.661 28.640 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.163 56.125 26.960 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.538 55.024 28.308 1.00 0.00 H new ATOM 204 N ILE A 13 46.896 55.003 25.044 1.00 0.00 N ATOM 205 CA ILE A 13 46.553 54.896 23.641 1.00 0.00 C ATOM 206 C ILE A 13 45.042 54.688 23.538 1.00 0.00 C ATOM 207 O ILE A 13 44.488 53.870 24.271 1.00 0.00 O ATOM 208 CB ILE A 13 47.325 53.746 23.000 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.839 53.888 23.120 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.945 53.587 21.530 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.583 52.560 23.022 1.00 0.00 C ATOM 0 H ILE A 13 46.569 54.197 25.577 1.00 0.00 H new ATOM 0 HA ILE A 13 46.827 55.805 23.105 1.00 0.00 H new ATOM 0 HB ILE A 13 47.039 52.854 23.558 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.197 54.555 22.336 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.078 54.360 24.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.509 52.761 21.096 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.878 53.380 21.450 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.177 54.507 20.993 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.655 52.736 23.115 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.253 51.898 23.822 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.374 52.096 22.058 1.00 0.00 H new ATOM 223 N THR A 14 44.375 55.397 22.632 1.00 0.00 N ATOM 224 CA THR A 14 42.943 55.318 22.428 1.00 0.00 C ATOM 225 C THR A 14 42.626 54.686 21.071 1.00 0.00 C ATOM 226 O THR A 14 43.158 55.119 20.051 1.00 0.00 O ATOM 227 CB THR A 14 42.309 56.701 22.544 1.00 0.00 C ATOM 228 OG1 THR A 14 42.621 57.259 23.801 1.00 0.00 O ATOM 229 CG2 THR A 14 40.786 56.674 22.454 1.00 0.00 C ATOM 0 H THR A 14 44.834 56.059 22.006 1.00 0.00 H new ATOM 0 HA THR A 14 42.519 54.682 23.205 1.00 0.00 H new ATOM 0 HB THR A 14 42.706 57.282 21.712 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.215 58.148 23.874 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.398 57.689 22.544 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.486 56.254 21.494 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.385 56.060 23.260 1.00 0.00 H new ATOM 237 N LEU A 15 41.759 53.678 21.057 1.00 0.00 N ATOM 238 CA LEU A 15 41.336 52.954 19.875 1.00 0.00 C ATOM 239 C LEU A 15 39.820 53.066 19.699 1.00 0.00 C ATOM 240 O LEU A 15 39.095 53.157 20.687 1.00 0.00 O ATOM 241 CB LEU A 15 41.739 51.487 19.982 1.00 0.00 C ATOM 242 CG LEU A 15 43.175 51.182 20.398 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.350 49.672 20.523 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.221 51.698 19.413 1.00 0.00 C ATOM 0 H LEU A 15 41.316 53.333 21.909 1.00 0.00 H new ATOM 0 HA LEU A 15 41.826 53.393 19.006 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.072 51.006 20.697 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.562 51.017 19.014 1.00 0.00 H new ATOM 0 HG LEU A 15 43.335 51.695 21.346 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.374 49.448 20.820 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.662 49.287 21.275 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.139 49.201 19.563 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.218 51.445 19.775 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.061 51.238 18.438 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.132 52.781 19.322 1.00 0.00 H new ATOM 256 N GLU A 16 39.331 52.985 18.464 1.00 0.00 N ATOM 257 CA GLU A 16 37.915 52.943 18.161 1.00 0.00 C ATOM 258 C GLU A 16 37.554 51.614 17.495 1.00 0.00 C ATOM 259 O GLU A 16 38.201 51.167 16.551 1.00 0.00 O ATOM 260 CB GLU A 16 37.498 54.179 17.370 1.00 0.00 C ATOM 261 CG GLU A 16 36.104 54.706 17.700 1.00 0.00 C ATOM 262 CD GLU A 16 34.940 53.880 17.149 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.098 53.148 16.148 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.801 54.023 17.645 1.00 0.00 O ATOM 0 H GLU A 16 39.924 52.946 17.635 1.00 0.00 H new ATOM 0 HA GLU A 16 37.335 52.980 19.083 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.224 54.972 17.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.541 53.945 16.306 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.004 54.765 18.784 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.019 55.723 17.316 1.00 0.00 H new ATOM 271 N VAL A 17 36.561 50.928 18.056 1.00 0.00 N ATOM 272 CA VAL A 17 36.248 49.532 17.828 1.00 0.00 C ATOM 273 C VAL A 17 34.742 49.281 17.930 1.00 0.00 C ATOM 274 O VAL A 17 34.003 50.087 18.493 1.00 0.00 O ATOM 275 CB VAL A 17 36.962 48.640 18.841 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.481 48.675 18.700 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.594 48.989 20.280 1.00 0.00 C ATOM 0 H VAL A 17 35.920 51.363 18.719 1.00 0.00 H new ATOM 0 HA VAL A 17 36.589 49.288 16.822 1.00 0.00 H new ATOM 0 HB VAL A 17 36.616 47.631 18.615 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.931 48.021 19.447 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.762 48.334 17.703 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.837 49.695 18.848 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.127 48.327 20.963 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.872 50.023 20.486 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.520 48.867 20.421 1.00 0.00 H new ATOM 287 N GLU A 18 34.296 48.116 17.471 1.00 0.00 N ATOM 288 CA GLU A 18 33.024 47.528 17.842 1.00 0.00 C ATOM 289 C GLU A 18 33.275 46.262 18.661 1.00 0.00 C ATOM 290 O GLU A 18 34.358 45.688 18.572 1.00 0.00 O ATOM 291 CB GLU A 18 32.235 47.209 16.576 1.00 0.00 C ATOM 292 CG GLU A 18 31.647 48.437 15.886 1.00 0.00 C ATOM 293 CD GLU A 18 30.213 48.754 16.315 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.823 48.525 17.481 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.427 49.221 15.462 1.00 0.00 O ATOM 0 H GLU A 18 34.827 47.544 16.814 1.00 0.00 H new ATOM 0 HA GLU A 18 32.446 48.225 18.449 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.887 46.688 15.875 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.426 46.524 16.827 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.279 49.299 16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.669 48.282 14.807 1.00 0.00 H new ATOM 302 N PRO A 19 32.310 45.750 19.420 1.00 0.00 N ATOM 303 CA PRO A 19 32.445 44.479 20.103 1.00 0.00 C ATOM 304 C PRO A 19 32.773 43.295 19.191 1.00 0.00 C ATOM 305 O PRO A 19 33.289 42.284 19.662 1.00 0.00 O ATOM 306 CB PRO A 19 31.133 44.282 20.858 1.00 0.00 C ATOM 307 CG PRO A 19 30.654 45.709 21.108 1.00 0.00 C ATOM 308 CD PRO A 19 31.103 46.432 19.841 1.00 0.00 C ATOM 0 HA PRO A 19 33.306 44.509 20.771 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.412 43.713 20.271 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.283 43.739 21.791 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.573 45.757 21.242 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.106 46.138 22.002 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.335 46.386 19.069 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.295 47.487 20.037 1.00 0.00 H new ATOM 316 N SER A 20 32.523 43.397 17.888 1.00 0.00 N ATOM 317 CA SER A 20 32.906 42.411 16.898 1.00 0.00 C ATOM 318 C SER A 20 34.381 42.435 16.488 1.00 0.00 C ATOM 319 O SER A 20 34.790 41.532 15.762 1.00 0.00 O ATOM 320 CB SER A 20 32.055 42.544 15.640 1.00 0.00 C ATOM 321 OG SER A 20 30.677 42.532 15.936 1.00 0.00 O ATOM 0 H SER A 20 32.032 44.196 17.486 1.00 0.00 H new ATOM 0 HA SER A 20 32.735 41.457 17.397 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.308 43.471 15.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.287 41.727 14.956 1.00 0.00 H new ATOM 0 HG SER A 20 30.163 42.621 15.106 1.00 0.00 H new ATOM 327 N ASP A 21 35.186 43.414 16.891 1.00 0.00 N ATOM 328 CA ASP A 21 36.591 43.475 16.547 1.00 0.00 C ATOM 329 C ASP A 21 37.358 42.302 17.163 1.00 0.00 C ATOM 330 O ASP A 21 37.200 41.989 18.341 1.00 0.00 O ATOM 331 CB ASP A 21 37.217 44.801 16.972 1.00 0.00 C ATOM 332 CG ASP A 21 36.924 45.976 16.038 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.877 46.591 15.512 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.744 46.309 15.795 1.00 0.00 O ATOM 0 H ASP A 21 34.872 44.192 17.471 1.00 0.00 H new ATOM 0 HA ASP A 21 36.661 43.404 15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.861 45.051 17.971 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.297 44.671 17.042 1.00 0.00 H new ATOM 339 N THR A 22 38.222 41.666 16.376 1.00 0.00 N ATOM 340 CA THR A 22 39.109 40.621 16.845 1.00 0.00 C ATOM 341 C THR A 22 40.311 41.193 17.600 1.00 0.00 C ATOM 342 O THR A 22 40.681 42.349 17.403 1.00 0.00 O ATOM 343 CB THR A 22 39.574 39.682 15.737 1.00 0.00 C ATOM 344 OG1 THR A 22 40.367 40.345 14.778 1.00 0.00 O ATOM 345 CG2 THR A 22 38.426 38.994 15.003 1.00 0.00 C ATOM 0 H THR A 22 38.322 41.870 15.382 1.00 0.00 H new ATOM 0 HA THR A 22 38.515 40.025 17.537 1.00 0.00 H new ATOM 0 HB THR A 22 40.163 38.925 16.255 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.788 40.831 14.154 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.829 38.341 14.229 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.845 38.402 15.710 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.784 39.747 14.545 1.00 0.00 H new ATOM 353 N ILE A 23 40.985 40.381 18.410 1.00 0.00 N ATOM 354 CA ILE A 23 42.239 40.760 19.028 1.00 0.00 C ATOM 355 C ILE A 23 43.309 41.071 17.979 1.00 0.00 C ATOM 356 O ILE A 23 44.108 41.983 18.171 1.00 0.00 O ATOM 357 CB ILE A 23 42.648 39.703 20.051 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.673 39.592 21.219 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.066 39.906 20.574 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.384 40.866 22.007 1.00 0.00 C ATOM 0 H ILE A 23 40.671 39.441 18.653 1.00 0.00 H new ATOM 0 HA ILE A 23 42.113 41.693 19.577 1.00 0.00 H new ATOM 0 HB ILE A 23 42.619 38.762 19.502 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.727 39.210 20.835 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.060 38.846 21.913 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.302 39.126 21.298 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.771 39.856 19.744 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.140 40.881 21.055 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.677 40.647 22.807 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.311 41.247 22.436 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.957 41.617 21.342 1.00 0.00 H new ATOM 372 N GLU A 24 43.275 40.434 16.810 1.00 0.00 N ATOM 373 CA GLU A 24 44.080 40.810 15.666 1.00 0.00 C ATOM 374 C GLU A 24 43.734 42.189 15.102 1.00 0.00 C ATOM 375 O GLU A 24 44.649 42.944 14.780 1.00 0.00 O ATOM 376 CB GLU A 24 43.951 39.739 14.585 1.00 0.00 C ATOM 377 CG GLU A 24 44.803 38.505 14.868 1.00 0.00 C ATOM 378 CD GLU A 24 46.177 38.573 14.198 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.470 37.709 13.343 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.955 39.511 14.472 1.00 0.00 O ATOM 0 H GLU A 24 42.674 39.629 16.636 1.00 0.00 H new ATOM 0 HA GLU A 24 45.113 40.881 16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.906 39.441 14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.242 40.163 13.624 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.933 38.397 15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.276 37.617 14.519 1.00 0.00 H new ATOM 387 N ASN A 25 42.461 42.568 15.034 1.00 0.00 N ATOM 388 CA ASN A 25 42.062 43.911 14.664 1.00 0.00 C ATOM 389 C ASN A 25 42.588 44.954 15.650 1.00 0.00 C ATOM 390 O ASN A 25 43.058 46.005 15.218 1.00 0.00 O ATOM 391 CB ASN A 25 40.547 44.061 14.556 1.00 0.00 C ATOM 392 CG ASN A 25 39.910 43.310 13.384 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.133 42.376 13.573 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.219 43.712 12.155 1.00 0.00 N ATOM 0 H ASN A 25 41.679 41.946 15.236 1.00 0.00 H new ATOM 0 HA ASN A 25 42.504 44.084 13.683 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.094 43.710 15.483 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.306 45.120 14.465 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.809 43.243 11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.866 44.489 12.020 1.00 0.00 H new ATOM 401 N VAL A 26 42.544 44.656 16.945 1.00 0.00 N ATOM 402 CA VAL A 26 43.075 45.501 17.995 1.00 0.00 C ATOM 403 C VAL A 26 44.594 45.646 17.872 1.00 0.00 C ATOM 404 O VAL A 26 45.080 46.774 17.854 1.00 0.00 O ATOM 405 CB VAL A 26 42.661 44.997 19.375 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.306 45.778 20.515 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.148 45.099 19.553 1.00 0.00 C ATOM 0 H VAL A 26 42.125 43.795 17.297 1.00 0.00 H new ATOM 0 HA VAL A 26 42.645 46.495 17.875 1.00 0.00 H new ATOM 0 HB VAL A 26 42.999 43.962 19.421 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.972 45.371 21.469 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.391 45.695 20.445 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.017 46.827 20.446 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.873 44.735 20.543 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.839 46.139 19.450 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.651 44.496 18.793 1.00 0.00 H new ATOM 417 N LYS A 27 45.336 44.559 17.683 1.00 0.00 N ATOM 418 CA LYS A 27 46.766 44.614 17.453 1.00 0.00 C ATOM 419 C LYS A 27 47.132 45.441 16.219 1.00 0.00 C ATOM 420 O LYS A 27 48.089 46.209 16.271 1.00 0.00 O ATOM 421 CB LYS A 27 47.362 43.212 17.357 1.00 0.00 C ATOM 422 CG LYS A 27 47.496 42.485 18.693 1.00 0.00 C ATOM 423 CD LYS A 27 48.200 41.150 18.465 1.00 0.00 C ATOM 424 CE LYS A 27 48.628 40.440 19.747 1.00 0.00 C ATOM 425 NZ LYS A 27 49.359 39.209 19.412 1.00 0.00 N ATOM 0 H LYS A 27 44.955 43.613 17.686 1.00 0.00 H new ATOM 0 HA LYS A 27 47.199 45.119 18.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.740 42.612 16.693 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.347 43.281 16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.063 43.094 19.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.512 42.321 19.133 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.535 40.493 17.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.081 41.318 17.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.259 41.098 20.345 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.753 40.202 20.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.693 38.755 20.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.728 38.558 18.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.174 39.442 18.810 1.00 0.00 H new ATOM 439 N ALA A 28 46.364 45.359 15.135 1.00 0.00 N ATOM 440 CA ALA A 28 46.576 46.171 13.955 1.00 0.00 C ATOM 441 C ALA A 28 46.254 47.648 14.185 1.00 0.00 C ATOM 442 O ALA A 28 47.005 48.514 13.743 1.00 0.00 O ATOM 443 CB ALA A 28 45.772 45.581 12.799 1.00 0.00 C ATOM 0 H ALA A 28 45.573 44.720 15.057 1.00 0.00 H new ATOM 0 HA ALA A 28 47.637 46.149 13.705 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.924 46.185 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.104 44.560 12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.713 45.576 13.058 1.00 0.00 H new ATOM 449 N LYS A 29 45.209 47.969 14.942 1.00 0.00 N ATOM 450 CA LYS A 29 44.877 49.321 15.341 1.00 0.00 C ATOM 451 C LYS A 29 45.920 49.931 16.279 1.00 0.00 C ATOM 452 O LYS A 29 46.127 51.141 16.234 1.00 0.00 O ATOM 453 CB LYS A 29 43.467 49.354 15.924 1.00 0.00 C ATOM 454 CG LYS A 29 42.404 49.310 14.830 1.00 0.00 C ATOM 455 CD LYS A 29 40.985 49.172 15.373 1.00 0.00 C ATOM 456 CE LYS A 29 40.000 49.237 14.209 1.00 0.00 C ATOM 457 NZ LYS A 29 38.601 49.168 14.658 1.00 0.00 N ATOM 0 H LYS A 29 44.556 47.273 15.301 1.00 0.00 H new ATOM 0 HA LYS A 29 44.893 49.954 14.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.332 48.508 16.598 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.340 50.258 16.519 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.470 50.219 14.232 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.613 48.474 14.163 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.876 48.228 15.906 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.776 49.968 16.088 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.156 50.162 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.199 48.416 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.973 49.466 13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.372 48.191 14.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.467 49.797 15.475 1.00 0.00 H new ATOM 471 N ILE A 30 46.617 49.127 17.076 1.00 0.00 N ATOM 472 CA ILE A 30 47.781 49.531 17.838 1.00 0.00 C ATOM 473 C ILE A 30 48.990 49.749 16.924 1.00 0.00 C ATOM 474 O ILE A 30 49.672 50.760 17.078 1.00 0.00 O ATOM 475 CB ILE A 30 48.072 48.534 18.956 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.956 48.547 19.996 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.411 48.804 19.635 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.976 47.348 20.941 1.00 0.00 C ATOM 0 H ILE A 30 46.374 48.145 17.210 1.00 0.00 H new ATOM 0 HA ILE A 30 47.567 50.489 18.311 1.00 0.00 H new ATOM 0 HB ILE A 30 48.124 47.549 18.493 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.032 49.462 20.584 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.995 48.576 19.483 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.574 48.069 20.423 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.213 48.732 18.900 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.404 49.805 20.067 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.152 47.430 21.650 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.869 46.429 20.365 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.921 47.328 21.483 1.00 0.00 H new ATOM 490 N GLN A 31 49.252 48.866 15.965 1.00 0.00 N ATOM 491 CA GLN A 31 50.337 48.992 15.013 1.00 0.00 C ATOM 492 C GLN A 31 50.272 50.308 14.237 1.00 0.00 C ATOM 493 O GLN A 31 51.292 50.979 14.095 1.00 0.00 O ATOM 494 CB GLN A 31 50.324 47.795 14.067 1.00 0.00 C ATOM 495 CG GLN A 31 51.527 47.760 13.129 1.00 0.00 C ATOM 496 CD GLN A 31 51.516 46.572 12.165 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.509 45.909 11.926 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.655 46.246 11.561 1.00 0.00 N ATOM 0 H GLN A 31 48.696 48.021 15.830 1.00 0.00 H new ATOM 0 HA GLN A 31 51.276 49.005 15.566 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.301 46.876 14.653 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.409 47.818 13.474 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.555 48.685 12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.440 47.727 13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.502 46.783 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.682 45.459 10.913 1.00 0.00 H new ATOM 507 N ASP A 32 49.085 50.718 13.799 1.00 0.00 N ATOM 508 CA ASP A 32 48.849 51.983 13.132 1.00 0.00 C ATOM 509 C ASP A 32 49.264 53.216 13.937 1.00 0.00 C ATOM 510 O ASP A 32 49.563 54.248 13.341 1.00 0.00 O ATOM 511 CB ASP A 32 47.368 52.106 12.787 1.00 0.00 C ATOM 512 CG ASP A 32 46.909 51.289 11.578 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.734 50.701 10.847 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.690 51.289 11.301 1.00 0.00 O ATOM 0 H ASP A 32 48.239 50.158 13.904 1.00 0.00 H new ATOM 0 HA ASP A 32 49.478 51.967 12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.783 51.801 13.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.141 53.156 12.603 1.00 0.00 H new ATOM 519 N LYS A 33 49.296 53.136 15.265 1.00 0.00 N ATOM 520 CA LYS A 33 49.643 54.230 16.147 1.00 0.00 C ATOM 521 C LYS A 33 51.058 54.142 16.723 1.00 0.00 C ATOM 522 O LYS A 33 51.741 55.162 16.766 1.00 0.00 O ATOM 523 CB LYS A 33 48.597 54.389 17.246 1.00 0.00 C ATOM 524 CG LYS A 33 47.267 54.878 16.679 1.00 0.00 C ATOM 525 CD LYS A 33 46.309 55.365 17.762 1.00 0.00 C ATOM 526 CE LYS A 33 45.083 55.991 17.106 1.00 0.00 C ATOM 527 NZ LYS A 33 44.274 56.740 18.080 1.00 0.00 N ATOM 0 H LYS A 33 49.072 52.276 15.766 1.00 0.00 H new ATOM 0 HA LYS A 33 49.644 55.128 15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.450 53.435 17.752 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.957 55.095 17.995 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.453 55.688 15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.796 54.070 16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.010 54.533 18.400 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.806 56.094 18.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.399 56.658 16.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.474 55.210 16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.496 57.222 17.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.883 56.083 18.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.871 57.445 18.558 1.00 0.00 H new ATOM 541 N GLU A 34 51.513 52.960 17.131 1.00 0.00 N ATOM 542 CA GLU A 34 52.760 52.763 17.841 1.00 0.00 C ATOM 543 C GLU A 34 53.888 52.136 17.019 1.00 0.00 C ATOM 544 O GLU A 34 55.035 52.176 17.459 1.00 0.00 O ATOM 545 CB GLU A 34 52.511 51.910 19.081 1.00 0.00 C ATOM 546 CG GLU A 34 51.692 52.604 20.166 1.00 0.00 C ATOM 547 CD GLU A 34 52.394 53.849 20.717 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.526 53.740 21.235 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.838 54.962 20.612 1.00 0.00 O ATOM 0 H GLU A 34 51.004 52.091 16.969 1.00 0.00 H new ATOM 0 HA GLU A 34 53.105 53.764 18.099 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.997 50.997 18.782 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.471 51.612 19.502 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.721 52.887 19.760 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.505 51.904 20.981 1.00 0.00 H new ATOM 556 N GLY A 35 53.605 51.542 15.863 1.00 0.00 N ATOM 557 CA GLY A 35 54.594 50.941 14.991 1.00 0.00 C ATOM 558 C GLY A 35 55.036 49.518 15.339 1.00 0.00 C ATOM 559 O GLY A 35 55.769 48.908 14.563 1.00 0.00 O ATOM 0 H GLY A 35 52.654 51.467 15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.196 50.936 13.976 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.477 51.580 14.984 1.00 0.00 H new ATOM 563 N ILE A 36 54.581 48.941 16.448 1.00 0.00 N ATOM 564 CA ILE A 36 54.930 47.592 16.849 1.00 0.00 C ATOM 565 C ILE A 36 54.067 46.576 16.099 1.00 0.00 C ATOM 566 O ILE A 36 52.845 46.686 16.176 1.00 0.00 O ATOM 567 CB ILE A 36 54.801 47.409 18.357 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.484 48.491 19.190 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.312 46.031 18.768 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.979 48.683 18.953 1.00 0.00 C ATOM 0 H ILE A 36 53.951 49.409 17.099 1.00 0.00 H new ATOM 0 HA ILE A 36 55.974 47.420 16.588 1.00 0.00 H new ATOM 0 HB ILE A 36 53.736 47.500 18.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.982 49.439 18.997 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.332 48.259 20.244 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.214 45.914 19.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.727 45.261 18.265 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.360 45.933 18.486 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.351 49.477 19.600 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.505 47.755 19.178 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.150 48.954 17.911 1.00 0.00 H new ATOM 582 N PRO A 37 54.619 45.578 15.416 1.00 0.00 N ATOM 583 CA PRO A 37 53.835 44.596 14.694 1.00 0.00 C ATOM 584 C PRO A 37 53.146 43.589 15.618 1.00 0.00 C ATOM 585 O PRO A 37 53.653 43.321 16.705 1.00 0.00 O ATOM 586 CB PRO A 37 54.805 43.931 13.722 1.00 0.00 C ATOM 587 CG PRO A 37 56.132 44.014 14.468 1.00 0.00 C ATOM 588 CD PRO A 37 56.034 45.352 15.198 1.00 0.00 C ATOM 0 HA PRO A 37 53.008 45.070 14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.523 42.900 13.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.844 44.454 12.766 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.257 43.184 15.163 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.981 43.988 13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.576 45.323 16.143 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.472 46.155 14.604 1.00 0.00 H new ATOM 596 N PRO A 38 52.026 42.990 15.223 1.00 0.00 N ATOM 597 CA PRO A 38 51.240 42.087 16.040 1.00 0.00 C ATOM 598 C PRO A 38 51.979 40.931 16.718 1.00 0.00 C ATOM 599 O PRO A 38 51.660 40.607 17.861 1.00 0.00 O ATOM 600 CB PRO A 38 50.160 41.538 15.112 1.00 0.00 C ATOM 601 CG PRO A 38 49.900 42.705 14.164 1.00 0.00 C ATOM 602 CD PRO A 38 51.292 43.311 14.016 1.00 0.00 C ATOM 0 HA PRO A 38 50.870 42.661 16.890 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.500 40.651 14.577 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.262 41.255 15.661 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.497 42.372 13.208 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.187 43.417 14.580 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.797 42.907 13.139 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.230 44.390 13.878 1.00 0.00 H new ATOM 610 N ASP A 39 52.988 40.343 16.083 1.00 0.00 N ATOM 611 CA ASP A 39 53.779 39.269 16.651 1.00 0.00 C ATOM 612 C ASP A 39 54.799 39.713 17.701 1.00 0.00 C ATOM 613 O ASP A 39 55.455 38.883 18.326 1.00 0.00 O ATOM 614 CB ASP A 39 54.405 38.406 15.559 1.00 0.00 C ATOM 615 CG ASP A 39 55.642 39.018 14.900 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.485 39.870 13.999 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.773 38.582 15.208 1.00 0.00 O ATOM 0 H ASP A 39 53.280 40.608 15.142 1.00 0.00 H new ATOM 0 HA ASP A 39 53.075 38.652 17.209 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.676 37.441 15.987 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.656 38.215 14.790 1.00 0.00 H new ATOM 622 N GLN A 40 54.917 41.018 17.923 1.00 0.00 N ATOM 623 CA GLN A 40 55.752 41.643 18.927 1.00 0.00 C ATOM 624 C GLN A 40 54.925 42.361 19.996 1.00 0.00 C ATOM 625 O GLN A 40 55.493 42.934 20.922 1.00 0.00 O ATOM 626 CB GLN A 40 56.793 42.520 18.235 1.00 0.00 C ATOM 627 CG GLN A 40 57.657 41.681 17.298 1.00 0.00 C ATOM 628 CD GLN A 40 58.841 42.407 16.658 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.878 43.622 16.479 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.847 41.649 16.228 1.00 0.00 N ATOM 0 H GLN A 40 54.400 41.702 17.371 1.00 0.00 H new ATOM 0 HA GLN A 40 56.295 40.880 19.486 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.296 43.310 17.672 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.421 43.007 18.981 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.038 40.825 17.854 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.023 41.288 16.503 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.823 40.640 16.373 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.642 42.077 15.753 1.00 0.00 H new ATOM 639 N GLN A 41 53.601 42.276 19.915 1.00 0.00 N ATOM 640 CA GLN A 41 52.645 42.716 20.912 1.00 0.00 C ATOM 641 C GLN A 41 52.089 41.536 21.711 1.00 0.00 C ATOM 642 O GLN A 41 51.858 40.462 21.159 1.00 0.00 O ATOM 643 CB GLN A 41 51.478 43.437 20.246 1.00 0.00 C ATOM 644 CG GLN A 41 51.804 44.717 19.483 1.00 0.00 C ATOM 645 CD GLN A 41 50.537 45.323 18.874 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.451 45.270 19.446 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.591 45.893 17.673 1.00 0.00 N ATOM 0 H GLN A 41 53.144 41.872 19.098 1.00 0.00 H new ATOM 0 HA GLN A 41 53.171 43.391 21.587 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.000 42.743 19.555 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.744 43.678 21.015 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.271 45.437 20.155 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.525 44.502 18.695 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.479 45.951 17.175 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.744 46.272 17.250 1.00 0.00 H new ATOM 656 N ARG A 42 51.772 41.757 22.984 1.00 0.00 N ATOM 657 CA ARG A 42 51.084 40.835 23.865 1.00 0.00 C ATOM 658 C ARG A 42 50.092 41.606 24.739 1.00 0.00 C ATOM 659 O ARG A 42 50.499 42.493 25.486 1.00 0.00 O ATOM 660 CB ARG A 42 52.147 40.110 24.684 1.00 0.00 C ATOM 661 CG ARG A 42 51.595 39.075 25.660 1.00 0.00 C ATOM 662 CD ARG A 42 52.766 38.345 26.310 1.00 0.00 C ATOM 663 NE ARG A 42 52.342 37.517 27.439 1.00 0.00 N ATOM 664 CZ ARG A 42 51.867 36.265 27.408 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.652 35.602 26.263 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.550 35.627 28.542 1.00 0.00 N ATOM 0 H ARG A 42 52.004 42.635 23.448 1.00 0.00 H new ATOM 0 HA ARG A 42 50.503 40.098 23.310 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.839 39.615 24.002 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.723 40.847 25.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.983 39.561 26.420 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.952 38.367 25.137 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.259 37.718 25.567 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.502 39.073 26.652 1.00 0.00 H new ATOM 0 HE ARG A 42 52.417 37.945 28.362 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.851 36.050 25.369 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.289 34.649 26.286 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.669 36.094 29.441 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.189 34.674 28.507 1.00 0.00 H new ATOM 680 N LEU A 43 48.799 41.311 24.636 1.00 0.00 N ATOM 681 CA LEU A 43 47.754 42.055 25.309 1.00 0.00 C ATOM 682 C LEU A 43 47.273 41.342 26.575 1.00 0.00 C ATOM 683 O LEU A 43 46.949 40.157 26.542 1.00 0.00 O ATOM 684 CB LEU A 43 46.622 42.365 24.334 1.00 0.00 C ATOM 685 CG LEU A 43 46.985 43.386 23.260 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.908 43.425 22.180 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.121 44.794 23.832 1.00 0.00 C ATOM 0 H LEU A 43 48.449 40.536 24.073 1.00 0.00 H new ATOM 0 HA LEU A 43 48.164 43.006 25.648 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.311 41.439 23.850 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.764 42.735 24.896 1.00 0.00 H new ATOM 0 HG LEU A 43 47.943 43.073 22.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.181 44.158 21.421 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.819 42.441 21.719 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.954 43.704 22.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.380 45.488 23.032 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.176 45.096 24.283 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.904 44.805 24.590 1.00 0.00 H new ATOM 699 N ILE A 44 47.235 42.079 27.680 1.00 0.00 N ATOM 700 CA ILE A 44 46.942 41.598 29.016 1.00 0.00 C ATOM 701 C ILE A 44 45.771 42.369 29.627 1.00 0.00 C ATOM 702 O ILE A 44 45.653 43.581 29.456 1.00 0.00 O ATOM 703 CB ILE A 44 48.180 41.688 29.903 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.441 41.050 29.327 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.906 41.112 31.290 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.393 39.549 29.059 1.00 0.00 C ATOM 0 H ILE A 44 47.419 43.082 27.661 1.00 0.00 H new ATOM 0 HA ILE A 44 46.652 40.550 28.946 1.00 0.00 H new ATOM 0 HB ILE A 44 48.386 42.757 29.966 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.679 41.555 28.391 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.265 41.246 30.013 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.806 41.189 31.900 1.00 0.00 H new ATOM 0 HG22 ILE A 44 47.098 41.670 31.763 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.619 40.065 31.199 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.350 39.221 28.652 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.195 39.019 29.991 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.600 39.332 28.343 1.00 0.00 H new ATOM 718 N PHE A 45 44.925 41.680 30.387 1.00 0.00 N ATOM 719 CA PHE A 45 43.824 42.256 31.133 1.00 0.00 C ATOM 720 C PHE A 45 43.707 41.606 32.514 1.00 0.00 C ATOM 721 O PHE A 45 43.271 40.464 32.636 1.00 0.00 O ATOM 722 CB PHE A 45 42.569 42.100 30.278 1.00 0.00 C ATOM 723 CG PHE A 45 41.383 42.974 30.611 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.528 44.359 30.755 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.101 42.412 30.645 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.405 45.175 30.934 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.976 43.225 30.832 1.00 0.00 C ATOM 728 CZ PHE A 45 39.123 44.610 30.969 1.00 0.00 C ATOM 0 H PHE A 45 44.995 40.669 30.501 1.00 0.00 H new ATOM 0 HA PHE A 45 43.983 43.316 31.331 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.844 42.288 29.240 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.248 41.060 30.339 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.513 44.801 30.728 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.979 41.345 30.526 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.527 46.242 31.045 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.992 42.782 30.871 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.255 45.239 31.101 1.00 0.00 H new ATOM 738 N ALA A 46 44.138 42.306 33.560 1.00 0.00 N ATOM 739 CA ALA A 46 44.234 41.829 34.925 1.00 0.00 C ATOM 740 C ALA A 46 44.953 40.486 35.058 1.00 0.00 C ATOM 741 O ALA A 46 44.423 39.520 35.601 1.00 0.00 O ATOM 742 CB ALA A 46 42.865 41.890 35.598 1.00 0.00 C ATOM 0 H ALA A 46 44.445 43.274 33.466 1.00 0.00 H new ATOM 0 HA ALA A 46 44.888 42.505 35.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 42.947 41.530 36.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 42.508 42.920 35.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 42.161 41.264 35.049 1.00 0.00 H new ATOM 748 N GLY A 47 46.158 40.411 34.499 1.00 0.00 N ATOM 749 CA GLY A 47 46.997 39.229 34.486 1.00 0.00 C ATOM 750 C GLY A 47 46.636 38.158 33.455 1.00 0.00 C ATOM 751 O GLY A 47 47.468 37.293 33.187 1.00 0.00 O ATOM 0 H GLY A 47 46.588 41.206 34.026 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.026 39.541 34.310 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.966 38.776 35.477 1.00 0.00 H new ATOM 755 N LYS A 48 45.463 38.211 32.830 1.00 0.00 N ATOM 756 CA LYS A 48 45.042 37.269 31.814 1.00 0.00 C ATOM 757 C LYS A 48 45.547 37.685 30.430 1.00 0.00 C ATOM 758 O LYS A 48 45.335 38.828 30.033 1.00 0.00 O ATOM 759 CB LYS A 48 43.520 37.154 31.784 1.00 0.00 C ATOM 760 CG LYS A 48 42.856 36.861 33.126 1.00 0.00 C ATOM 761 CD LYS A 48 43.336 35.555 33.754 1.00 0.00 C ATOM 762 CE LYS A 48 42.527 35.181 34.992 1.00 0.00 C ATOM 763 NZ LYS A 48 42.597 36.214 36.038 1.00 0.00 N ATOM 0 H LYS A 48 44.767 38.930 33.026 1.00 0.00 H new ATOM 0 HA LYS A 48 45.472 36.300 32.068 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.111 38.085 31.392 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.247 36.365 31.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.057 37.684 33.812 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.776 36.817 32.989 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.265 34.753 33.019 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.388 35.648 34.024 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.486 35.023 34.709 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.895 34.236 35.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.133 35.866 36.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.593 36.432 36.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.115 37.075 35.709 1.00 0.00 H new ATOM 777 N GLN A 49 46.160 36.776 29.677 1.00 0.00 N ATOM 778 CA GLN A 49 46.472 37.020 28.283 1.00 0.00 C ATOM 779 C GLN A 49 45.201 37.040 27.433 1.00 0.00 C ATOM 780 O GLN A 49 44.314 36.210 27.626 1.00 0.00 O ATOM 781 CB GLN A 49 47.455 35.967 27.780 1.00 0.00 C ATOM 782 CG GLN A 49 48.129 36.361 26.469 1.00 0.00 C ATOM 783 CD GLN A 49 48.336 35.166 25.537 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.959 34.164 25.882 1.00 0.00 O ATOM 785 NE2 GLN A 49 47.814 35.218 24.315 1.00 0.00 N ATOM 0 H GLN A 49 46.450 35.859 30.017 1.00 0.00 H new ATOM 0 HA GLN A 49 46.939 38.001 28.194 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.219 35.799 28.539 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.929 35.022 27.642 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.522 37.112 25.963 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.093 36.822 26.684 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.295 36.044 24.017 1.00 0.00 H new ATOM 0 HE22 GLN A 49 47.933 34.432 23.676 1.00 0.00 H new ATOM 794 N LEU A 50 45.137 37.938 26.455 1.00 0.00 N ATOM 795 CA LEU A 50 44.145 37.929 25.398 1.00 0.00 C ATOM 796 C LEU A 50 44.684 37.233 24.147 1.00 0.00 C ATOM 797 O LEU A 50 45.841 37.410 23.771 1.00 0.00 O ATOM 798 CB LEU A 50 43.665 39.345 25.096 1.00 0.00 C ATOM 799 CG LEU A 50 43.116 40.120 26.291 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.573 41.459 25.804 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.992 39.407 27.036 1.00 0.00 C ATOM 0 H LEU A 50 45.796 38.713 26.378 1.00 0.00 H new ATOM 0 HA LEU A 50 43.283 37.356 25.740 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.495 39.908 24.670 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.890 39.292 24.332 1.00 0.00 H new ATOM 0 HG LEU A 50 43.948 40.230 26.987 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.178 42.021 26.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.375 42.028 25.333 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.777 41.287 25.080 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.659 40.025 27.870 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.157 39.234 26.357 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.355 38.452 27.415 1.00 0.00 H new ATOM 813 N GLU A 51 43.843 36.417 23.519 1.00 0.00 N ATOM 814 CA GLU A 51 44.192 35.513 22.441 1.00 0.00 C ATOM 815 C GLU A 51 43.651 35.978 21.088 1.00 0.00 C ATOM 816 O GLU A 51 42.496 36.377 20.948 1.00 0.00 O ATOM 817 CB GLU A 51 43.721 34.104 22.793 1.00 0.00 C ATOM 818 CG GLU A 51 44.485 33.514 23.974 1.00 0.00 C ATOM 819 CD GLU A 51 43.845 32.227 24.494 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.361 32.222 25.647 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.827 31.209 23.766 1.00 0.00 O ATOM 0 H GLU A 51 42.854 36.370 23.764 1.00 0.00 H new ATOM 0 HA GLU A 51 45.277 35.507 22.333 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.657 34.127 23.027 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.842 33.456 21.925 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.513 33.310 23.674 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.527 34.247 24.779 1.00 0.00 H new ATOM 828 N ASP A 52 44.501 35.904 20.069 1.00 0.00 N ATOM 829 CA ASP A 52 44.322 36.436 18.733 1.00 0.00 C ATOM 830 C ASP A 52 43.071 35.933 18.009 1.00 0.00 C ATOM 831 O ASP A 52 42.465 36.674 17.239 1.00 0.00 O ATOM 832 CB ASP A 52 45.573 36.105 17.924 1.00 0.00 C ATOM 833 CG ASP A 52 46.832 36.670 18.585 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.285 37.778 18.225 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.377 35.979 19.472 1.00 0.00 O ATOM 0 H ASP A 52 45.400 35.433 20.169 1.00 0.00 H new ATOM 0 HA ASP A 52 44.174 37.512 18.829 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.667 35.024 17.823 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.475 36.512 16.917 1.00 0.00 H new ATOM 840 N GLY A 53 42.651 34.698 18.273 1.00 0.00 N ATOM 841 CA GLY A 53 41.487 34.063 17.689 1.00 0.00 C ATOM 842 C GLY A 53 40.131 34.466 18.271 1.00 0.00 C ATOM 843 O GLY A 53 39.138 33.830 17.929 1.00 0.00 O ATOM 0 H GLY A 53 43.140 34.091 18.931 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.479 34.280 16.621 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.597 32.984 17.794 1.00 0.00 H new ATOM 847 N ARG A 54 40.064 35.455 19.159 1.00 0.00 N ATOM 848 CA ARG A 54 38.880 35.909 19.860 1.00 0.00 C ATOM 849 C ARG A 54 38.531 37.371 19.571 1.00 0.00 C ATOM 850 O ARG A 54 39.279 38.077 18.898 1.00 0.00 O ATOM 851 CB ARG A 54 39.046 35.628 21.350 1.00 0.00 C ATOM 852 CG ARG A 54 39.040 34.129 21.632 1.00 0.00 C ATOM 853 CD ARG A 54 39.228 33.791 23.108 1.00 0.00 C ATOM 854 NE ARG A 54 39.235 32.343 23.322 1.00 0.00 N ATOM 855 CZ ARG A 54 38.189 31.507 23.263 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.926 31.920 23.100 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.404 30.188 23.358 1.00 0.00 N ATOM 0 H ARG A 54 40.892 35.991 19.420 1.00 0.00 H new ATOM 0 HA ARG A 54 38.024 35.347 19.487 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.981 36.063 21.703 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.241 36.109 21.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.097 33.705 21.287 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.833 33.655 21.054 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.165 34.219 23.465 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.427 34.244 23.693 1.00 0.00 H new ATOM 0 HE ARG A 54 40.138 31.923 23.541 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.722 32.916 23.014 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.168 31.239 23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.353 29.833 23.473 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.618 29.539 23.315 1.00 0.00 H new ATOM 871 N THR A 55 37.389 37.828 20.076 1.00 0.00 N ATOM 872 CA THR A 55 36.855 39.165 19.919 1.00 0.00 C ATOM 873 C THR A 55 36.650 39.899 21.247 1.00 0.00 C ATOM 874 O THR A 55 36.634 39.288 22.313 1.00 0.00 O ATOM 875 CB THR A 55 35.536 39.179 19.152 1.00 0.00 C ATOM 876 OG1 THR A 55 34.582 38.366 19.798 1.00 0.00 O ATOM 877 CG2 THR A 55 35.652 38.732 17.697 1.00 0.00 C ATOM 0 H THR A 55 36.780 37.234 20.639 1.00 0.00 H new ATOM 0 HA THR A 55 37.618 39.692 19.346 1.00 0.00 H new ATOM 0 HB THR A 55 35.222 40.223 19.143 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.777 38.892 19.985 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.670 38.771 17.225 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.337 39.394 17.167 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.032 37.711 17.659 1.00 0.00 H new ATOM 885 N LEU A 56 36.458 41.213 21.178 1.00 0.00 N ATOM 886 CA LEU A 56 36.132 42.031 22.328 1.00 0.00 C ATOM 887 C LEU A 56 34.833 41.588 23.006 1.00 0.00 C ATOM 888 O LEU A 56 34.795 41.498 24.231 1.00 0.00 O ATOM 889 CB LEU A 56 36.063 43.498 21.915 1.00 0.00 C ATOM 890 CG LEU A 56 37.376 44.110 21.435 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.142 45.575 21.077 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.475 44.074 22.493 1.00 0.00 C ATOM 0 H LEU A 56 36.527 41.741 20.308 1.00 0.00 H new ATOM 0 HA LEU A 56 36.925 41.904 23.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.324 43.599 21.120 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.701 44.079 22.763 1.00 0.00 H new ATOM 0 HG LEU A 56 37.701 43.518 20.579 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.076 46.019 20.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.396 45.641 20.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.787 46.112 21.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.383 44.524 22.090 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.152 44.632 23.372 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.676 43.040 22.774 1.00 0.00 H new ATOM 904 N SER A 57 33.798 41.253 22.241 1.00 0.00 N ATOM 905 CA SER A 57 32.563 40.688 22.744 1.00 0.00 C ATOM 906 C SER A 57 32.762 39.321 23.404 1.00 0.00 C ATOM 907 O SER A 57 32.224 39.105 24.487 1.00 0.00 O ATOM 908 CB SER A 57 31.501 40.575 21.654 1.00 0.00 C ATOM 909 OG SER A 57 31.986 39.951 20.486 1.00 0.00 O ATOM 0 H SER A 57 33.802 41.373 21.228 1.00 0.00 H new ATOM 0 HA SER A 57 32.216 41.386 23.506 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.651 40.010 22.037 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.135 41.571 21.404 1.00 0.00 H new ATOM 0 HG SER A 57 32.503 40.597 19.961 1.00 0.00 H new ATOM 915 N ASP A 58 33.556 38.430 22.818 1.00 0.00 N ATOM 916 CA ASP A 58 33.861 37.143 23.408 1.00 0.00 C ATOM 917 C ASP A 58 34.590 37.262 24.748 1.00 0.00 C ATOM 918 O ASP A 58 34.332 36.476 25.657 1.00 0.00 O ATOM 919 CB ASP A 58 34.680 36.318 22.419 1.00 0.00 C ATOM 920 CG ASP A 58 34.865 34.879 22.905 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.989 34.510 23.304 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.882 34.109 22.843 1.00 0.00 O ATOM 0 H ASP A 58 34.005 38.587 21.916 1.00 0.00 H new ATOM 0 HA ASP A 58 32.916 36.642 23.619 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.184 36.314 21.449 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.655 36.783 22.276 1.00 0.00 H new ATOM 927 N TYR A 59 35.434 38.276 24.912 1.00 0.00 N ATOM 928 CA TYR A 59 36.080 38.616 26.165 1.00 0.00 C ATOM 929 C TYR A 59 35.274 39.532 27.088 1.00 0.00 C ATOM 930 O TYR A 59 35.726 39.811 28.197 1.00 0.00 O ATOM 931 CB TYR A 59 37.464 39.190 25.879 1.00 0.00 C ATOM 932 CG TYR A 59 38.522 38.146 25.616 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.767 37.182 26.601 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.294 38.177 24.449 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.780 36.233 26.419 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.338 37.259 24.276 1.00 0.00 C ATOM 937 CZ TYR A 59 40.584 36.284 25.263 1.00 0.00 C ATOM 938 OH TYR A 59 41.613 35.402 25.117 1.00 0.00 O ATOM 0 H TYR A 59 35.692 38.901 24.148 1.00 0.00 H new ATOM 0 HA TYR A 59 36.162 37.686 26.728 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.400 39.852 25.016 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.774 39.801 26.727 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.173 37.170 27.503 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.085 38.908 23.682 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.944 35.466 27.161 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.952 37.299 23.389 1.00 0.00 H new ATOM 0 HH TYR A 59 41.395 34.566 25.579 1.00 0.00 H new ATOM 948 N ASN A 60 34.093 39.995 26.687 1.00 0.00 N ATOM 949 CA ASN A 60 33.293 40.972 27.398 1.00 0.00 C ATOM 950 C ASN A 60 34.063 42.241 27.771 1.00 0.00 C ATOM 951 O ASN A 60 34.038 42.702 28.910 1.00 0.00 O ATOM 952 CB ASN A 60 32.562 40.305 28.560 1.00 0.00 C ATOM 953 CG ASN A 60 31.379 41.126 29.076 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.908 42.069 28.443 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.830 40.743 30.225 1.00 0.00 N ATOM 0 H ASN A 60 33.654 39.683 25.821 1.00 0.00 H new ATOM 0 HA ASN A 60 32.529 41.346 26.716 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.205 39.325 28.242 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.265 40.139 29.376 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.012 41.233 30.587 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.227 39.960 30.744 1.00 0.00 H new ATOM 962 N ILE A 61 34.791 42.800 26.809 1.00 0.00 N ATOM 963 CA ILE A 61 35.482 44.070 26.908 1.00 0.00 C ATOM 964 C ILE A 61 34.549 45.141 26.342 1.00 0.00 C ATOM 965 O ILE A 61 34.228 45.117 25.156 1.00 0.00 O ATOM 966 CB ILE A 61 36.827 44.007 26.190 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.754 42.967 26.812 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.508 45.372 26.221 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.911 42.552 25.906 1.00 0.00 C ATOM 0 H ILE A 61 34.918 42.355 25.900 1.00 0.00 H new ATOM 0 HA ILE A 61 35.716 44.317 27.943 1.00 0.00 H new ATOM 0 HB ILE A 61 36.629 43.715 25.159 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.158 43.365 27.743 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.171 42.083 27.070 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.466 45.312 25.705 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.874 46.106 25.724 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.671 45.674 27.256 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.526 41.811 26.417 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.516 42.123 24.985 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.518 43.425 25.668 1.00 0.00 H new ATOM 981 N GLN A 62 34.065 46.035 27.201 1.00 0.00 N ATOM 982 CA GLN A 62 33.100 47.064 26.873 1.00 0.00 C ATOM 983 C GLN A 62 33.750 48.446 26.779 1.00 0.00 C ATOM 984 O GLN A 62 34.934 48.593 27.076 1.00 0.00 O ATOM 985 CB GLN A 62 31.976 47.028 27.906 1.00 0.00 C ATOM 986 CG GLN A 62 31.238 45.695 27.978 1.00 0.00 C ATOM 987 CD GLN A 62 30.163 45.674 29.066 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.616 46.693 29.484 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.823 44.496 29.583 1.00 0.00 N ATOM 0 H GLN A 62 34.349 46.057 28.180 1.00 0.00 H new ATOM 0 HA GLN A 62 32.683 46.866 25.886 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.392 47.254 28.888 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.259 47.816 27.675 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.776 45.487 27.013 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.956 44.897 28.167 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.269 43.643 29.245 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.116 44.446 30.317 1.00 0.00 H new ATOM 998 N LYS A 63 33.005 49.471 26.376 1.00 0.00 N ATOM 999 CA LYS A 63 33.522 50.805 26.148 1.00 0.00 C ATOM 1000 C LYS A 63 34.296 51.365 27.343 1.00 0.00 C ATOM 1001 O LYS A 63 33.900 51.206 28.496 1.00 0.00 O ATOM 1002 CB LYS A 63 32.424 51.751 25.668 1.00 0.00 C ATOM 1003 CG LYS A 63 31.472 52.247 26.754 1.00 0.00 C ATOM 1004 CD LYS A 63 30.390 53.158 26.183 1.00 0.00 C ATOM 1005 CE LYS A 63 29.578 53.785 27.314 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.618 54.774 26.802 1.00 0.00 N ATOM 0 H LYS A 63 32.004 49.389 26.197 1.00 0.00 H new ATOM 0 HA LYS A 63 34.255 50.722 25.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.892 52.615 25.195 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.840 51.244 24.899 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.006 51.394 27.247 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.037 52.786 27.515 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.846 53.940 25.576 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.733 52.587 25.527 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.044 53.005 27.856 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.251 54.264 28.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.083 55.181 27.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.131 55.531 26.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.961 54.311 26.142 1.00 0.00 H new ATOM 1020 N GLU A 64 35.415 52.025 27.057 1.00 0.00 N ATOM 1021 CA GLU A 64 36.306 52.644 28.019 1.00 0.00 C ATOM 1022 C GLU A 64 36.931 51.696 29.045 1.00 0.00 C ATOM 1023 O GLU A 64 37.397 52.124 30.098 1.00 0.00 O ATOM 1024 CB GLU A 64 35.677 53.910 28.594 1.00 0.00 C ATOM 1025 CG GLU A 64 35.415 54.933 27.492 1.00 0.00 C ATOM 1026 CD GLU A 64 34.860 56.238 28.062 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.626 57.009 28.679 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.649 56.493 27.883 1.00 0.00 O ATOM 0 H GLU A 64 35.736 52.146 26.096 1.00 0.00 H new ATOM 0 HA GLU A 64 37.194 52.955 27.468 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.742 53.661 29.096 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.338 54.340 29.347 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.341 55.134 26.953 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.710 54.520 26.771 1.00 0.00 H new ATOM 1035 N SER A 65 37.004 50.407 28.724 1.00 0.00 N ATOM 1036 CA SER A 65 37.928 49.480 29.344 1.00 0.00 C ATOM 1037 C SER A 65 39.378 49.843 29.016 1.00 0.00 C ATOM 1038 O SER A 65 39.626 50.417 27.958 1.00 0.00 O ATOM 1039 CB SER A 65 37.677 48.050 28.873 1.00 0.00 C ATOM 1040 OG SER A 65 36.358 47.638 29.157 1.00 0.00 O ATOM 0 H SER A 65 36.411 49.977 28.014 1.00 0.00 H new ATOM 0 HA SER A 65 37.764 49.547 30.419 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.858 47.982 27.800 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.383 47.376 29.359 1.00 0.00 H new ATOM 0 HG SER A 65 35.738 48.076 28.537 1.00 0.00 H new ATOM 1046 N THR A 66 40.337 49.437 29.843 1.00 0.00 N ATOM 1047 CA THR A 66 41.753 49.645 29.621 1.00 0.00 C ATOM 1048 C THR A 66 42.537 48.332 29.608 1.00 0.00 C ATOM 1049 O THR A 66 42.601 47.645 30.625 1.00 0.00 O ATOM 1050 CB THR A 66 42.352 50.587 30.660 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.664 51.817 30.693 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.808 50.941 30.373 1.00 0.00 C ATOM 0 H THR A 66 40.138 48.940 30.711 1.00 0.00 H new ATOM 0 HA THR A 66 41.839 50.103 28.636 1.00 0.00 H new ATOM 0 HB THR A 66 42.270 50.045 31.602 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.068 52.400 31.369 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.178 51.614 31.147 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.409 50.032 30.365 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.879 51.431 29.402 1.00 0.00 H new ATOM 1060 N LEU A 67 43.198 48.008 28.500 1.00 0.00 N ATOM 1061 CA LEU A 67 44.149 46.918 28.406 1.00 0.00 C ATOM 1062 C LEU A 67 45.557 47.348 28.820 1.00 0.00 C ATOM 1063 O LEU A 67 45.879 48.534 28.776 1.00 0.00 O ATOM 1064 CB LEU A 67 44.200 46.351 26.989 1.00 0.00 C ATOM 1065 CG LEU A 67 42.890 45.835 26.400 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.144 45.184 25.044 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.214 44.827 27.325 1.00 0.00 C ATOM 0 H LEU A 67 43.080 48.514 27.622 1.00 0.00 H new ATOM 0 HA LEU A 67 43.802 46.148 29.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.586 47.127 26.328 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.921 45.534 26.977 1.00 0.00 H new ATOM 0 HG LEU A 67 42.225 46.691 26.282 1.00 0.00 H new ATOM 0 HD11 LEU A 67 42.202 44.820 24.633 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.577 45.917 24.364 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.834 44.349 25.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.285 44.483 26.871 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.877 43.977 27.483 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.996 45.301 28.282 1.00 0.00 H new ATOM 1079 N HIS A 68 46.424 46.387 29.127 1.00 0.00 N ATOM 1080 CA HIS A 68 47.857 46.584 29.218 1.00 0.00 C ATOM 1081 C HIS A 68 48.578 45.912 28.047 1.00 0.00 C ATOM 1082 O HIS A 68 48.212 44.814 27.635 1.00 0.00 O ATOM 1083 CB HIS A 68 48.371 46.099 30.571 1.00 0.00 C ATOM 1084 CG HIS A 68 48.114 47.081 31.680 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.105 46.987 32.638 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.844 48.216 31.921 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.275 48.030 33.454 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.297 48.799 33.047 1.00 0.00 N ATOM 0 H HIS A 68 46.136 45.428 29.323 1.00 0.00 H new ATOM 0 HA HIS A 68 48.073 47.650 29.148 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.895 45.149 30.816 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.442 45.910 30.501 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.681 48.582 31.345 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.670 48.229 34.326 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.614 49.661 33.491 1.00 0.00 H new ATOM 1096 N LEU A 69 49.606 46.572 27.523 1.00 0.00 N ATOM 1097 CA LEU A 69 50.424 46.114 26.419 1.00 0.00 C ATOM 1098 C LEU A 69 51.816 45.715 26.915 1.00 0.00 C ATOM 1099 O LEU A 69 52.592 46.547 27.378 1.00 0.00 O ATOM 1100 CB LEU A 69 50.471 47.196 25.344 1.00 0.00 C ATOM 1101 CG LEU A 69 51.373 46.887 24.153 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.966 45.629 23.391 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.347 48.052 23.168 1.00 0.00 C ATOM 0 H LEU A 69 49.900 47.482 27.877 1.00 0.00 H new ATOM 0 HA LEU A 69 49.986 45.221 25.973 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.459 47.367 24.978 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.806 48.127 25.802 1.00 0.00 H new ATOM 0 HG LEU A 69 52.368 46.726 24.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.651 45.471 22.558 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.004 44.770 24.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.952 45.747 23.010 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.993 47.826 22.320 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.327 48.208 22.816 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.702 48.955 23.664 1.00 0.00 H new ATOM 1115 N VAL A 70 52.131 44.431 26.766 1.00 0.00 N ATOM 1116 CA VAL A 70 53.436 43.838 26.972 1.00 0.00 C ATOM 1117 C VAL A 70 54.101 43.646 25.608 1.00 0.00 C ATOM 1118 O VAL A 70 53.430 43.370 24.616 1.00 0.00 O ATOM 1119 CB VAL A 70 53.288 42.532 27.747 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.602 41.782 27.934 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.684 42.767 29.129 1.00 0.00 C ATOM 0 H VAL A 70 51.436 43.741 26.481 1.00 0.00 H new ATOM 0 HA VAL A 70 54.076 44.488 27.569 1.00 0.00 H new ATOM 0 HB VAL A 70 52.624 41.922 27.134 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.421 40.864 28.493 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.022 41.536 26.959 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.304 42.409 28.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.593 41.816 29.653 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.329 43.435 29.699 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.698 43.219 29.023 1.00 0.00 H new